WorldWideScience

Sample records for surface acid sites

  1. Acidity of edge surface sites of montmorillonite and kaolinite

    NARCIS (Netherlands)

    Liu, X.; Lu, X.; Sprik, M.; Cheng, J.; Meijer, E.J.; Wang, R.

    2013-01-01

    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

  2. Understanding the Lewis Acidity of Co(II) Sites on a Silica Surface.

    Science.gov (United States)

    Estes, Deven P; Cook, Amanda K; Lam, Erwin; Wong, Louise; Copéret, Christophe

    2017-07-17

    Heterogeneous catalysts consisting of isolated transition-metal sites dispersed on the surface of metal oxide supports are commonly used in the chemical industry. Often their reactivity relies on the Lewis acidity of the active sites on the surface of the catalyst. A recent report from our group showed that silica-supported Co(II) sites, prepared via surface organometallic chemistry, are active in both alkene hydrogenation and alkane dehydrogenation, possibly linked to the Lewis acidity of the Co(II) sites. Here we use molecular probes and analogues to both qualitatively and quantitatively model the Lewis acidity of the surface sites. Some sites do not bind probe molecules like carbon monoxide, tetrahydrofuran, and olefins, while others exhibit a continuum of Lewis acidities. This is consistent with variations in the coordination environment of Co. These results suggest that only the most Lewis acidic sites are involved in dehydrogenation and hydrogenation, consistent with catalyst poisoning studies.

  3. Acid base characterization of the surface of mixed species of algae Spirulin by potentiometric titration and discrete site distribution model

    OpenAIRE

    Lima, Elizabete C. de; Masini, Jorge C.

    1999-01-01

    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...

  4. NH3 adsorption on the Lewis and Bronsted acid sites of MoO3 (0 1 0) surface: A cluster DFT study

    Science.gov (United States)

    Yan, Zhifeng; Fan, Junyan; Zuo, Zhijun; Li, Zhe; Zhang, Jinshan

    2014-01-01

    The adsorption of NH3 on the Lewis and Bronsted acid sites of MoO3 (0 1 0) surface has been investigated based on the density functional theory (DFT) method using the clusters models. The calculated results indicate that NH3 could strongly adsorb on both the Lewis and Bronsted acid sites in the form of NH3 species and NH4+ 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 NH3 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 NH4+ species. The hybridizations between H and O atoms as well as N and H atoms are the major reasons for strong chemical adsorption of NH3 and the existence of NH4+ 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 NH3 adsorption.

  5. Effect of surface oxygen vacancy sites on ethanol synthesis from acetic acid hydrogenation on a defective In2O3(110) surface.

    Science.gov (United States)

    Lyu, Huisheng; Liu, Jiatao; Chen, Yifei; Li, Guiming; Jiang, Haoxi; Zhang, Minhua

    2018-03-07

    Developing a new type of low-cost and high-efficiency non-noble metal catalyst is beneficial for industrially massive synthesis of alcohols from carboxylic acids which can be obtained from renewable biomass. In this work, the effect of active oxygen vacancies on ethanol synthesis from acetic acid hydrogenation over defective In 2 O 3 (110) surfaces has been studied using periodic density functional theory (DFT) calculations. The relative stabilities of six surface oxygen vacancies from O v1 to O v6 on the In 2 O 3 (110) surface were compared. D1 and D4 surfaces with respective O v1 and O v4 oxygen vacancies were chosen to map out the reaction paths from acetic acid to ethanol. A reaction cycle mechanism between the perfect and defective states of the In 2 O 3 surface was found to catalyze the formation of ethanol from acetic acid hydrogenation. By H 2 reduction the oxygen vacancies on the In 2 O 3 surface play key roles in promoting CH 3 COO* hydrogenation and C-O bond breaking in acetic acid hydrogenation. The acetic acid, in turn, benefits the creation of oxygen vacancies, while the C-O bond breaking of acetic acid refills the oxygen vacancy and, thereby, sustains the catalytic cycle. The In 2 O 3 based catalysts were shown to be advantageous over traditional noble metal catalysts in this paper by theoretical analysis.

  6. The role of outer surface/inner bulk Brønsted acidic sites in the adsorption of a large basic molecule (simazine) on H-Y zeolite.

    Science.gov (United States)

    Sannino, Filomena; Pansini, Michele; Marocco, Antonello; Bonelli, Barbara; Garrone, Edoardo; Esposito, Serena

    2015-11-21

    The simple means adopted for investigating H-Y zeolite acidity in water is the pH-dependence of the amount of a basic molecule adsorbed under isochoric conditions, a technique capable of yielding, under equilibrium conditions, an estimate of the pKa value of the involved acidic centres: the behaviour with temperature of adsorbed amounts yields instead some information on thermodynamics. Simazine (Sim, 2-chloro-4,6-bis(ethylamino)-s-triazine) was chosen as an adsorbate because its transverse dimension (7.5 Å) is close to the opening of the supercage in the faujasite structure of H-Y (7.4 Å). In short term measurements, Sim adsorption at 25 °C occurs only at the outer surface of H-Y particles. Two types of mildly acidic centres are present (with pKaca. 7 and ca. 8, respectively) and no strong one is observed. Previous adsorption of ammonia from the gas phase discriminates between the two. The former survives, and shows features common with the silanols of amorphous silica. The latter is suppressed: because of this and other features distinguishing this site from silanol species (e.g. the formation of dimeric Sim2H(+) species, favoured by coverage and unfavoured by temperatures of adsorption higher than ambient temperature) a candidate is an Al based site. We propose a Lewis centre coordinating a water molecule, exhibiting acidic properties. This acidic water molecule can be replaced by the stronger base ammonia, also depleting inner strong Brønsted sites. A mechanism for the generation of the two sites from surface Brønsted species is proposed. Long term adsorption measurements at 25 °C already show the onset of the interaction with inner strongly acidic Brønsted sites: because of its size, activation is required for Sim to pass the supercage openings and reach inner acidic sites. When adsorption is run at 40-50 °C, uptake is much larger and increases with temperature. Isochoric measurements suggest a pKa value of ca. 3 compatible with its marked acidic

  7. Seasonal and spatial variations in microbial community structure and diversity in the acid stream draining across an ongoing surface mining site.

    Science.gov (United States)

    Tan, Gui-Liang; Shu, Wen-Sheng; Zhou, Wen-Hua; Li, Xiang-Li; Lan, Chong-Yu; Huang, Li-Nan

    2009-11-01

    This study examined the microbial community in an acidic stream draining across the Yun-Fu pyrite mine (Guangdong, China), where extremely acidic mine water is a persistent feature due to the intensive surface mining activities. Analysis of terminal restriction fragment length polymorphism (TRFLP) of 16S rRNA gene sequences showed that microbial populations varied spatially and seasonally and correlated with geochemical and physical conditions. After the stream moves from underground to the surface, the microbial community in the acidic water rapidly evolves into a distinct community close to that in the downstream storage pond. Comparisons of TRFLP peaks with sequenced clone libraries indicated that bacteria related to the recently isolated iron-oxidizer Ferrovum myxofaciens dominated the acidophilic community throughout the year except for the samples collected in spring from the storage pond, where Ferroplasma acidiphilum-like archaea represented the most abundant group. Acidithiobacillus ferrooxidans-affiliated organisms increased along the acid stream and remained common over the year, whereas Leptospirillum ferrooxidans-like bacteria were negligible or even not detected in the analyzed samples. The data indicate that changes in environmental conditions are accompanied by significant shifts in community structure of the prokaryotic assemblages at this opencast mining site.

  8. 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

  9. 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.

  10. Hydroxamic acid surface active agents

    Directory of Open Access Journals (Sweden)

    El-Sawy, A. A.

    2001-10-01

    Full Text Available p-Hydroxy phenyloctadecanol and p-hydroxy phenyloctadecanoic acid were used as new precursors for the preparation of surface active hydroxamic acid including different moles of propylene oxide. The hydroxamic acid was prepared by the reaction of propenoxylated products with sodium chloroacetate, followed by methyl esterification and the resultant product reacted with hydroxyl amine hydrochloride to give the hydroxamic acid. The structures of prepared hydroxamic acid were confirmed by spectroscopic study. The surface activity of prepared hydroxamic acid was studied; the results revealed that, the prepared hydroxamic acid has pronounced surface activity, the alcohol substrate shows a surface activity superior than the acid substrate.Se han utilizado el p-hidroxifeniloctadecanol y el ácido p-hidroxifeniloctadecanoico como nuevos precursores para la preparación de tensioactivos derivados del ácido hidroxámico, que incluyen diferentes moles de óxido de propileno. El ácido hidroxámico se preparó por reacción de los productos propenoxilados con cloroacetato sódico, seguido de la formación de ésteres metílicos, y los productos resultantes se hicieron reaccionar con clorhidrato de hidroxilamina para dar los derivados del ácido hidroxámico. Las estructuras de los derivados preparados del ácido hidroxámico, se confirmaron por técnicas espectroscópicas, estudiándose su actividad superficial cuyos resultados mostraron que dichos compuestos tenían un alto valor. La actividad superficial del sustrato alcohólico fue mayor que la del sustrato ácido.

  11. Accurate prediction of peptide binding sites on protein surfaces.

    Directory of Open Access Journals (Sweden)

    Evangelia Petsalaki

    2009-03-01

    Full Text Available Many important protein-protein interactions are mediated by the binding of a short peptide stretch in one protein to a large globular segment in another. Recent efforts have provided hundreds of examples of new peptides binding to proteins for which a three-dimensional structure is available (either known experimentally or readily modeled but where no structure of the protein-peptide complex is known. To address this gap, we present an approach that can accurately predict peptide binding sites on protein surfaces. For peptides known to bind a particular protein, the method predicts binding sites with great accuracy, and the specificity of the approach means that it can also be used to predict whether or not a putative or predicted peptide partner will bind. We used known protein-peptide complexes to derive preferences, in the form of spatial position specific scoring matrices, which describe the binding-site environment in globular proteins for each type of amino acid in bound peptides. We then scan the surface of a putative binding protein for sites for each of the amino acids present in a peptide partner and search for combinations of high-scoring amino acid sites that satisfy constraints deduced from the peptide sequence. The method performed well in a benchmark and largely agreed with experimental data mapping binding sites for several recently discovered interactions mediated by peptides, including RG-rich proteins with SMN domains, Epstein-Barr virus LMP1 with TRADD domains, DBC1 with Sir2, and the Ago hook with Argonaute PIWI domain. The method, and associated statistics, is an excellent tool for predicting and studying binding sites for newly discovered peptides mediating critical events in biology.

  12. 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

  13. 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 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 (Reference 5.5), 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

  14. 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

  15. 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

  16. 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

  17. Acetic acid mediated interactions between alumina surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Kimiyasu, E-mail: sato.kimiyasu@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), Anagahora 2266-98, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan); Y Latin-Small-Letter-Dotless-I lmaz, Hueseyin [National Institute of Advanced Industrial Science and Technology (AIST), Anagahora 2266-98, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan); Gebze Institute of Technology, Materials Science and Engineering Department, 41400, Gebze-Kocaeli (Turkey); Ijuin, Atsuko; Hotta, Yuji; Watari, Koji [National Institute of Advanced Industrial Science and Technology (AIST), Anagahora 2266-98, Shimoshidami, Moriyama-ku, Nagoya 463-8560 (Japan)

    2012-02-01

    Low-molecular-weight organic acids have been known to modify colloidal stability of alumina-based suspensions. We investigated interaction forces between alumina surfaces mediated by acetic acid which is one of the simplest organic acids. Forces between alumina surfaces were measured using the colloid-probe method of atomic force microscope (AFM). Repulsive forces attributed to steric repulsion due to adsorbed molecules and electrostatic repulsion dominated the interaction. Results of rheological characterization of the alumina slurry containing acetic acid supported the finding.

  18. 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

  19. Salicylic acid electrooxidation. A surface film formation

    Energy Technology Data Exchange (ETDEWEB)

    Baturova, M.D.; Vedenjapin, A.; Baturova, M.M. [N.D. Zelinsky Inst. of Organic Chemistry, Russian Academy of Sciences, Moscow (Russian Federation); Weichgrebe, D.; Danilova, E.; Rosenwinkel, K.H. [Univ. of Hannover, Inst. of Water Quality and Waste Management Hannover (Germany); Skundin, A. [A.N. Frumkin Inst. of Electrochemistry, Russian Academy of Sciences, Moscow (Russian Federation)

    2003-07-01

    A possibility to use electrochemical treatment for salicylic acid (SA) removal from waste water was studied. It was found that SA can be oxidized at platinum anode with formation of harmless products. Features of anodic process, in particular, formation of solid film on anode surface as well as properties of the film were investigated. (orig.)

  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. 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.

  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. 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.)

  5. Protecting Surface Water Systems on Forest Sites Through Herbicide Use

    Science.gov (United States)

    J.L. Michael; H.L. Gibbs; J.B. Fischer; E.C. Webber

    2000-01-01

    Sediment, nutrients, and pesticides are universally accepted as the greatest threats to surface water quality world-wide. Sedimentation in surface waters is a natural phenomenon, but is magnified by human activities. Intensive forest management practices, particularly road building, harvesting and planting site preparation, result in the greatest increases in erosion...

  6. Hanford Site surface soil radioactive contamination control plan, March 1993

    International Nuclear Information System (INIS)

    Mix, P.D.; Winship, R.A.

    1993-04-01

    The Decommissioning and Resource Conservation and Recovery Act Closure Program is responsible to the US Department of Energy Richland Field Office, for the safe and cost-effective surveillance, maintenance, and decommissioning of surplus facilities and Resource Conservation and Recovery Act of 1976 closures at the Hanford Site. This program also manages the Radiation Area Remedial Action that includes the surveillance, maintenance, decontamination, and/or interim stabilization of inactive burial grounds, cribs, ponds, trenches, and unplanned release sites. This plan addresses only the Radiation Area Remedial Action activity requirements for managing and controlling the contaminated surface soil areas associated with these inactive sites until they are remediated as part of the Hanford Site environmental restoration process. All officially numbered Radiation Area Remedial Action and non-Radiation Area Remedial Action contaminated surface soil areas are listed in this document so that a complete list of the sites requiring remediation is contained in one document

  7. Defining reactive sites on hydrated mineral surfaces: Rhombohedral carbonate minerals

    Science.gov (United States)

    Villegas-Jiménez, Adrián; Mucci, Alfonso; Pokrovsky, Oleg S.; Schott, Jacques

    2009-08-01

    Despite the success of surface complexation models (SCMs) to interpret the adsorptive properties of mineral surfaces, their construct is sometimes incompatible with fundamental chemical and/or physical constraints, and thus, casts doubts on the physical-chemical significance of the derived model parameters. In this paper, we address the definition of primary surface sites (i.e., adsorption units) at hydrated carbonate mineral surfaces and discuss its implications to the formulation and calibration of surface equilibria for these minerals. Given the abundance of experimental and theoretical information on the structural properties of the hydrated (10.4) cleavage calcite surface, this mineral was chosen for a detailed theoretical analysis of critical issues relevant to the definition of primary surface sites. Accordingly, a single, generic charge-neutral surface site ( tbnd CaCO 3·H 2O 0) is defined for this mineral whereupon mass-action expressions describing adsorption equilibria were formulated. The one-site scheme, analogous to previously postulated descriptions of metal oxide surfaces, allows for a simple, yet realistic, molecular representation of surface reactions and provides a generalized reference state suitable for the calculation of sorption equilibria for rhombohedral carbonate minerals via Law of Mass Action (LMA) and Gibbs Energy Minimization (GEM) approaches. The one-site scheme is extended to other rhombohedral carbonate minerals and tested against published experimental data for magnesite and dolomite in aqueous solutions. A simplified SCM based on this scheme can successfully reproduce surface charge, reasonably simulate the electrokinetic behavior of these minerals, and predict surface speciation agreeing with available spectroscopic data. According to this model, a truly amphoteric behavior is displayed by these surfaces across the pH scale but at circum-neutral pH (5.8-8.2) and relatively high ΣCO 2 (⩾1 mM), proton/bicarbonate co

  8. 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.

  9. 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

  10. Adsorption of amino acids on hydrophilic surfaces

    International Nuclear Information System (INIS)

    Paszti, Z; Keszthelyi, T; Hakkel, O; Guczi, L

    2008-01-01

    Sum frequency generation vibrational spectroscopy (SFG) is a powerful tool for in situ investigation of adsorption processes at biologically important solid-liquid interfaces. In this work adsorption of selected amino acids on fused silica, calcium fluoride and titanium dioxide substrates was studied by this technique. SFG spectra taken at the amino acid solution-fused SiO 2 interface revealed the lack of formation of any ordered adsorbate layer, regardless of whether acidic or other, e.g. aromatic, amino acids were used. Ex situ spectra (measured after drying the substrate) showed the formation and gradual growth of amino acid crystallites. In the case of CaF 2 , growth of randomly oriented aspartic acid crystallites was observed even at the solution-substrate interface. Finally, on the TiO 2 substrate, acidic amino acids formed a stable, uniform, more or less ordered coating, which remained unchanged even after drying the sample. On the other hand, non-acidic amino acids like phenylalanine showed very little affinity towards TiO 2 , emphasizing the role of the acidic side chain in the bonding to the substrate. The fact that formation of an amino acid overlayer was observed only on titanium dioxide is probably related to its biocompatibility property

  11. Binding of oxygen on vacuum fractured pyrite surfaces: Reactivity of iron and sulfur surface sites

    Science.gov (United States)

    Berlich, A. G.; Nesbitt, H. W.; Bancroft, G. M.; Szargan, R.

    2013-05-01

    Synchrotron radiation excited photoelectron spectroscopy (SXPS) has been used to study the interaction of oxygen with vacuum fractured pyrite surfaces. Especially valence band spectra obtained with 30 eV photon energy were analyzed to provide a mechanism of the incipient steps of pyrite oxidation. These spectra are far more sensitive to the oxidation than sulfur or iron core level spectra. It is shown that oxygen is adsorbed on Fe(II) surface sites restoring the octahedral coordination of the Fe(II) sites. This process leads to the removal of two surface states in the valence band which are located at the low and high binding energy sides of the outer valence band, respectively. The existence of these surface states which have been proposed by calculations is experimentally proven. Furthermore, it is shown, that the sulfur sites are more reactive than expected. Sulfite like species are already formed after the lowest oxygen exposure of 10 L. This oxidation occurs at sulfur sites neighboring the Fe(II) surface sites. Oxidation of the S2 - surface sites which were considered as the most reactive species in former studies is second. No iron(III) oxides are formed during oxygen exposure, supporting the assumption that water plays an important role in the oxidation mechanism of pyrite surfaces.

  12. The impact of the competitive adsorption of ions at surface sites on surface free energies and surface forces

    Science.gov (United States)

    Parsons, Drew F.; Salis, Andrea

    2015-04-01

    The relationship between surface charge and surface potential at the solid-liquid interface is often determined by a charge regulation process, the chemisorption of a potential determining ion such as H+. A subtle ion-specific effect can be observed when other ions compete with the primary potential determining ion to bind to a surface site. Site competition may involve alternative ions competing for a first binding site, e.g., metals ions competing with H+ to bind to a negatively charged oxide or carboxyl site. Second-binding sites with site competition may also be found, including amphoteric OH2+ sites, or anion binding to amine groups. In this work, a general theoretical model is developed to describe the competitive adsorption of ions at surface sites. Applied to the calculation of forces, the theory predicts a 20% increase in repulsion between titania surfaces in 1 mM NaCl, and a 25% reduction in repulsion between silica surfaces in 0.1M NaCl compared to calculations neglecting ion site competition.

  13. 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.

  14. Surface investigation of chitosan film with fatty acid monolayers

    Directory of Open Access Journals (Sweden)

    Esam A. El-hefian

    2009-05-01

    Full Text Available The surface pressure- molecular area (-A isotherm curves of two fatty acids of different chain lengths, i.e. stearic (C18 and arachidic (C20 acids, were obtained by using Langmuir-Blodgett (LB technique. Results showed clear isotherm plots with limiting mean molecular area around 21 Å2 for both acids. However, the monolayer was found to collapse at higher than 33 mN m-1 and 21 mN m-1 for stearic acid and arachidic acid respectively. The effect of Langmuir-Blodgett monolayers of the acids was investigated by atomic force microscopy (AFM. Chitosan film, before and after dipping in water, was also studied by means of AFM so that it could be used for comparison. It was found that the surface of chitosan was more homogeneous and smoother after dipping in water. In addition, more homogeneous surfaces were achieved after transferring a layer of the fatty acid onto the substrate.

  15. 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.

  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. 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

  18. Mapping Protein Binding Sites and Conformational Epitopes Using Cysteine Labeling and Yeast Surface Display.

    Science.gov (United States)

    Najar, Tariq Ahmad; Khare, Shruti; Pandey, Rajesh; Gupta, Satish K; Varadarajan, Raghavan

    2017-03-07

    We describe a facile method for mapping protein:ligand binding sites and conformational epitopes. The method uses a combination of Cys scanning mutagenesis, chemical labeling, and yeast surface display. While Ala scanning is widely used for similar purposes, often mutation to Ala (or other amino acids) has little effect on binding, except at hotspot residues. Many residues in physical contact with a binding partner are insensitive to substitution with Ala. In contrast, we show that labeling of Cys residues in a binding site consistently abrogates binding. We couple this methodology to yeast surface display and deep sequencing to map conformational epitopes targeted by both monoclonal antibodies and polyclonal sera as well as a protein:ligand binding site. The method does not require purified protein, can distinguish buried and exposed residues, and can be extended to other display formats, including mammalian cells and viruses, emphasizing its wide applicability. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. 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).

  20. Response surface optimization of D(-)-lactic acid production by ...

    African Journals Online (AJOL)

    Response surface optimization of D(-)-lactic acid production by Lactobacillus SMI8 using corn steep liquor and yeast autolysate as an alternative nitrogen source. CJ Bolner de Lima, LF Coelho, KC Blanco, J Contiero ...

  1. 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.

  2. 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)

  3. 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

  4. 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.

  5. 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

  6. 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

  7. Interactions between acid- and base-functionalized surfaces

    NARCIS (Netherlands)

    Giesbers, M.; Kleijn, J.M.; Cohen Stuart, M.A.

    2002-01-01

    In this paper we present an AFM force study on interactions between chemically modified surfaces. Surfaces with terminal groups of either NH2 or COOH were obtained by chemisorption of a silane-based compound (3-amino-propyltriethoxysilane) on silica or a thiol compound (11-mercapto undecanoic acid)

  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. Superhydrophobic alumina surface based on stearic acid modification

    Energy Technology Data Exchange (ETDEWEB)

    Feng Libang, E-mail: lepond@hotmail.com [School of Mechatronic Engineering, Lanzhou Jiaotong University, Lanzhou 730070 (China); Zhang Hongxia; Mao Pengzhi; Wang Yanping; Ge Yang [School of Mechatronic Engineering, Lanzhou Jiaotong University, Lanzhou 730070 (China)

    2011-02-15

    A novel superhydrophobic alumina surface is fabricated by grafting stearic acid layer onto the porous and roughened aluminum film. The chemical and phase structure, morphology, and the chemical state of the atoms at the superhydrophobic surface were investigated by techniques as FTIR, XRD, FE-SEM, and XPS, respectively. Results show that a super water-repellent surface with a contact angle of 154.2{sup o} is generated. The superhydrophobic alumina surface takes on an uneven flowerlike structure with many nanometer-scale hollows distribute in the nipple-shaped protrusions, and which is composed of boehmite crystal and {gamma}-Al{sub 2}O{sub 3}. Furthermore, the roughened and porous alumina surface is coated with a layer of hydrophobic alkyl chains which come from stearic acid molecules. Therefore, both the roughened structure and the hydrophobic layer endue the alumina surface with the superhydrophobic behavior.

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

    International Nuclear Information System (INIS)

    Bosson, Emma; Gustafsson, Lars-Goeran; Sassner, Mona

    2008-09-01

    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 reduced in order to reach

  11. 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

  12. Kinetic analysis of inhibition of glucoamylase and active site mutants via chemoselective oxime immobilization of acarbose on SPR chip surfaces

    DEFF Research Database (Denmark)

    Sauer, Jørgen; Abou Hachem, Maher; Svensson, Birte

    2013-01-01

    We here report a quantitative study on the binding kinetics of inhibition of the enzyme glucoamylase and how individual active site amino acid mutations influence kinetics. To address this challenge, we have developed a fast and efficient method for anchoring native acarbose to gold chip surfaces...

  13. Expanding the diversity of unnatural cell surface sialic acids

    Energy Technology Data Exchange (ETDEWEB)

    Luchansky, Sarah J.; Goon, Scarlett; Bertozzi, Carolyn R.

    2003-10-30

    Novel chemical reactivity can be introduced onto cell surfaces through metabolic oligosaccharide engineering. This technique exploits the substrate promiscuity of cellular biosynthetic enzymes to deliver unnatural monosaccharides bearing bioorthogonal functional groups into cellular glycans. For example, derivatives of N-acetylmannosamine (ManNAc) are converted by the cellular biosynthetic machinery into the corresponding sialic acids and subsequently delivered to the cell surface in the form of sialoglycoconjugates. Analogs of N-acetylglucosamine (GlcNAc) and N-acetylgalactosamine (GalNAc) are also metabolized and incorporated into cell surface glycans, likely through the sialic acid and GalNAc salvage pathways, respectively. Furthermore, GlcNAc analogs can be incorporated into nucleocytoplasmic proteins in place of {beta}-O-GlcNAc residues. These pathways have been exploited to integrate unique electrophiles such as ketones and azides into the target glycoconjugate class. These functional groups can be further elaborated in a chemoselective fashion by condensation with hydrazides and by Staudinger ligation, respectively, thereby introducing detectable probes onto the cell. In conclusion, sialic acid derivatives are efficient vehicles for delivery of bulky functional groups to cell surfaces and masking of their hydroxyl groups improves their cellular uptake and utilization. Furthermore, the successful introduction of photoactivatable aryl azides into cell surface glycans opens up new avenues for studying sialic acid-binding proteins and elucidating the role of sialic acid in essential processes such as signaling and cell adhesion.

  14. 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.

  15. Surface reactions of iron - enriched smectites: adsorption and transformation of hydroxy fatty acids and phenolic acids

    Science.gov (United States)

    Polubesova, Tamara; Olshansky, Yaniv; Eldad, Shay; Chefetz, Benny

    2014-05-01

    Iron-enriched smectites play an important role in adsorption and transformation of soil organic components. Soil organo-clay complexes, and in particular humin contain hydroxy fatty acids, which are derived from plant biopolymer cutin. Phenolic acids belong to another major group of organic acids detected in soil. They participate in various soil processes, and are of concern due to their allelopathic activity. We studied the reactivity of iron-enriched smectites (Fe(III)-montmorillonite and nontronite) toward both groups of acids. We used fatty acids- 9(10),16-dihydroxypalmitic acid (diHPA), isolated from curtin, and 9,10,16-trihydroxypalmitic acid (triHPA); the following phenolic acids were used: ferulic, p-coumaric, syringic, and vanillic. Adsorption of both groups of acids was measured. The FTIR spectra of fatty acid-mineral complexes indicated inner-sphere complexation of fatty acids with iron-enriched smectites (versus outer-sphere complexation with Ca(II)-montmorillonite). The LC-MS results demonstrated enhanced esterification of fatty acids on the iron-enriched smectite surfaces (as compared to Ca(II)-montmorillonite). This study suggests that fatty acids can be esterified on the iron-enriched smectite surfaces, which results in the formation of stable organo-mineral complexes. These complexes may serve as a model for the study of natural soil organo-clay complexes and humin. The reaction of phenolic acids with Fe(III)-montmorillonite demonstrated their oxidative transformation by the mineral surfaces, which was affected by molecular structure of acids. The following order of their transformation was obtained: ferulic >syringic >p-coumaric >vanillic. The LC-MS analysis demonstrated the presence of dimers, trimers, and tetramers of ferulic acid on the surface of Fe(III)-montmorillonite. Oxidation and transformation of ferulic acid were more intense on the surface of Fe(III)-montmorillonite as compared to Fe(III) in solution due to stronger complexation on

  16. 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

  17. 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

  18. Sites That Can Produce Left-Handed Amino Acids in the Supernova Neutrino Amino Acid Processing Model

    OpenAIRE

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

    2018-01-01

    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 having 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.

  19. 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.

  20. 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

  1. 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.

  2. 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

  3. A sialic acid binding site in a human picornavirus.

    Directory of Open Access Journals (Sweden)

    Georg Zocher

    2014-10-01

    Full Text Available The picornaviruses coxsackievirus A24 variant (CVA24v and enterovirus 70 (EV70 cause continued outbreaks and pandemics of acute hemorrhagic conjunctivitis (AHC, a highly contagious eye disease against which neither vaccines nor antiviral drugs are currently available. Moreover, these viruses can cause symptoms in the cornea, upper respiratory tract, and neurological impairments such as acute flaccid paralysis. EV70 and CVA24v are both known to use 5-N-acetylneuraminic acid (Neu5Ac for cell attachment, thus providing a putative link between the glycan receptor specificity and cell tropism and disease. We report the structures of an intact human picornavirus in complex with a range of glycans terminating in Neu5Ac. We determined the structure of the CVA24v to 1.40 Å resolution, screened different glycans bearing Neu5Ac for CVA24v binding, and structurally characterized interactions with candidate glycan receptors. Biochemical studies verified the relevance of the binding site and demonstrated a preference of CVA24v for α2,6-linked glycans. This preference can be rationalized by molecular dynamics simulations that show that α2,6-linked glycans can establish more contacts with the viral capsid. Our results form an excellent platform for the design of antiviral compounds to prevent AHC.

  4. 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.

  5. Entrapped Single Tungstate Site in Zeolite for Cooperative Catalysis of Olefin Metathesis with Brønsted Acid Site.

    Science.gov (United States)

    Zhao, Pu; Ye, Lin; Sun, Zhenyu; Lo, Benedict T W; Woodcock, Harry; Huang, Chen; Tang, Chiu; Kirkland, Angus I; Mei, Donghai; Tsang, Shik Chi Edman

    2018-04-16

    Industrial olefin metathesis catalysts generally suffer from low reaction rates and require harsh reaction conditions for moderate activities. This is due to their inability to prevent metathesis active sites (MAS) from aggregation and their intrinsic poor adsorption and activation of olefin molecules. Here, isolated tungstate species as single molecular MAS is immobilized inside zeolite pores by Brønsted acid sites (BAS) on the inner surface. It is demonstrated for the first time that unoccupied BAS in atomic proximity to MAS enhance olefin adsorption and greatly facilitate the formation of metallocycle intermediates in a stereospecific manner. Thus, effective cooperative catalysis takes place over the BAS-MAS pair. In consequence, for the cross-metathesis of ethene and trans-2-butene to propene, under the same mild reaction conditions, the propene production rate over WOx/USY is ca. 7,300 times that over the industrial WO3/SiO2 based catalyst. A propene yield up to 79% (80% selectivity) without observable deactivation was obtained over WOx/USY for a wide range of reaction conditions.

  6. 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

  7. Poly(lactic acid) Polymer Brushes as Dynamic Surfaces

    Science.gov (United States)

    Xu, Le Bo

    Degradable Poly(lactic acid), PLA, polymer brushes, were prepared to use as a temporary protective layer on a substrate. The PLA brushes degraded under basic conditions, which distinguished from bulk PLA, as well as PLA oligomer. The underlying substrate was able to be exposed with the removal of PLA brushes, resulting in a dynamic behavior. PLA brushes were grafted from silicon and gold substrates through surface initiated ring opening polymerization, ROP, of lactide catalyzed by tin octoate. The surface silanol groups on silicon and hydroxyl-terminated thiol self-assembled monolayers, SAMs, on gold were used as immobilized initiators for the surface initiated polymerization. The surface silanol groups worked equally well as the alcohol species to serve as initiator for the ROP of lactide. Synthesis conditions, such as temperature, monomer concentration and the type of catalyst and solvent, were explored to pursue the maximum brush thickness and well controlled growth on the surface. It was highlighted the different optimized synthesis conditions between the ROP in solution and the surface initiated ROP due to the equilibrium behavior of ROP. Both molecular weight and monomer conversion were considered in solution ROP. However, monomer conversion was not that important for surface ROP given merely trace amount of polymer was grafted on the surface as brushes. It was also demonstrated that the thickness of PLA brush could be tuned by varying either growth time or grafting density. The PLA brushes with a gradient thickness were prepared by gradually filling a reaction container with reactive solution. PLA brushes were able to be removed by immersing them in basic aqueous solution. The degradation of PLA brushes was found to be unique. Bulk PLA degraded under acidic conditions. The degradation of PLA oligomer occurred under both acidic and basic conditions. While the PLA brushes only degraded under basic conditions. The base-catalyzed degradation suggests the

  8. 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.

  9. 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.

  10. 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.

  11. Layered materials with coexisting acidic and basic sites for catalytic one-pot reaction sequences.

    Science.gov (United States)

    Motokura, Ken; Tada, Mizuki; Iwasawa, Yasuhiro

    2009-06-17

    Acidic montmorillonite-immobilized primary amines (H-mont-NH(2)) were found to be excellent acid-base bifunctional catalysts for one-pot reaction sequences, which are the first materials with coexisting acid and base sites active for acid-base tamdem reactions. For example, tandem deacetalization-Knoevenagel condensation proceeded successfully with the H-mont-NH(2), affording the corresponding condensation product in a quantitative yield. The acidity of the H-mont-NH(2) was strongly influenced by the preparation solvent, and the base-catalyzed reactions were enhanced by interlayer acid sites.

  12. 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

  13. 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).

  14. 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

  15. 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

  16. 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

  17. 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

  18. Homogeneity of Surface Sites in Supported Single-Site Metal Catalysts: Assessment with Band Widths of Metal Carbonyl Infrared Spectra.

    Science.gov (United States)

    Hoffman, Adam S; Fang, Chia-Yu; Gates, Bruce C

    2016-10-06

    Determining and controlling the uniformity of isolated metal sites on surfaces of supports are central goals in investigations of single-site catalysts because well-defined species provide opportunities for fundamental understanding of the surface sites. CO is a useful probe of surface metal sites, often reacting with them to form metal carbonyls, the infrared spectra of which provide insights into the nature of the sites and the metal-support interface. Metals bonded to various support surface sites give broad bands in the spectra, and when narrow bands are observed, they indicate a high degree of uniformity of the metal sites. Much recent work on single-site catalysts has been done with supports that are inherently nonuniform, giving supported metal species that are therefore nonuniform. Herein we summarize values of ν CO data characterizing supported iridium gem-dicarbonyls, showing that the most nearly uniform of them are those supported on zeolites and the least uniform are those supported on metal oxides. Guided by ν CO data of supported iridium gem-dicarbonyls, we have determined new, general synthesis methods to maximize the degree of uniformity of iridium species on zeolites and on MgO. We report results for a zeolite HY-supported iridium gem-dicarbonyl with full width at half-maximum values of only 4.6 and 5.2 cm -1 characterizing the symmetric and asymmetric CO stretches and implying that this is the most nearly uniform supported single-site metal catalyst.

  19. 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

  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. 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.

  2. 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... SURFACE WORK AREAS OF UNDERGROUND COAL MINES Sanitary Toilet Facilities at Surface Worksites of Surface Coal Mines § 71.500 Sanitary toilet facilities at surface work sites; installation requirements. (a...

  3. 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.

  4. 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

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

    Energy Technology Data Exchange (ETDEWEB)

    Šípová, Hana [Institute of Photonics and Electronics, Academy of Sciences of the Czech Republic, Chaberská 57, Prague (Czech Republic); Homola, Jiří, E-mail: homola@ufe.cz [Institute of Photonics and Electronics, Academy of Sciences of the Czech Republic, Chaberská 57, Prague (Czech Republic)

    2013-04-22

    Highlights: ► Advances of nucleic acid (NA) surface plasmon resonance (SPR) sensors are presented. ► Bioanalytical applications of NA SPR biosensors are reviewed. ► Applications for study of molecular interactions involving NAs are also discussed. -- Abstract: Biosensors based on surface plasmon resonance (SPR) have become a central tool for the investigation and quantification of biomolecules and their interactions. Nucleic acids (NAs) play a vital role in numerous biological processes and therefore have been one of the major groups of biomolecules targeted by the SPR biosensors. This paper discusses the advances of NA SPR biosensor technology and reviews its applications both in the research of molecular interactions involving NAs (NA–NA, NA–protein, NA–small molecule), as well as for the field of bioanalytics in the areas of food safety, medical diagnosis and environmental monitoring.

  6. Does Nitric Acid Dissociate at the Aqueous Solution Surface?

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Tanza; Winter, Berndt; Stern, Abraham C.; Baer, Marcel D.; Mundy, Christopher J.; Tobias, Douglas J.; Hemminger, J. C.

    2011-11-03

    Nitric acid is a prevalent component of atmospheric aerosols, and the extent of nitric acid dissociation at aqueous interfaces is relevant to its role in heterogeneous atmospheric chemistry. Several experimental and theoretical studies have suggested that the extent of dissociation of nitric acid near aqueous interfaces is less than in bulk solution. Here, dissociation of HNO3 at the surface of aqueous nitric acid is quantified using X-ray photoelectron spectroscopy of the nitrogen local electronic structure. The relative amounts of undissociated HNO3(aq) and dissociated NO3-(aq) are identified by the distinguishable N1s core-level photoelectron spectra of the two species, and we determine the degree of dissociation, αint, in the interface (the first ~3 layers of solution) as a function of HNO3 concentration. Our measurements show that dissociation is decreased by approximately 20% near the solution interface compared with bulk, and furthermore that dissociation occurs even in the top-most solution layer. The experimental results are supported by first-principles MD simulations, which show that hydrogen-bonds between HNO3 and water molecules at the solution surface stabilize the molecular form at low concentration, in analogy to the stabilization of molecular HNO3 that occurs in bulk solution at high concentration. This work was supported by the U.S. Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for DOE.

  7. 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.

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

    Science.gov (United States)

    Sato, Yukuto; Nishida, Mutsumi

    2007-10-29

    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. 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. 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.

  9. Surface coverage dictates the surface bio-activity of D-amino acid oxidase.

    Science.gov (United States)

    Herrera, Elisa; Giacomelli, Carla E

    2014-05-01

    This work presents a systematic study on the relationship between the adsorption mechanism and the surface bio-activity of D-amino acid oxidase (pkDAAO). This rational approach is based on measuring the characteristic filling and relaxation times under different experimental conditions. With such a goal, real-time adsorption-desorption experiments at different degrees of surface coverage were performed tuning the electrostatic and hydrophobic interactions by changing the pH condition for the adsorption and the substrate properties (silica or gold). Surface bio-activity was measured in situ by amperometry using the bio-functional surface as the working electrode and ex situ by spectrophotometry. On both solid substrates, pkDAAO adsorption is a transport-controlled process, even under unfavorable electrostatic interactions (charged protein and substrate with the same sign) due to the high percentage of basic amino acids in the enzyme. On silica, the relaxation step is electrostatic in nature and occurs in the same time-scale as filling the surface when the substrate and the enzyme are oppositely charged at low surface coverage. Under unfavorable electrostatic conditions, the relaxation (if any) occurs at long time. Accordingly, the bio-activity of the native pkDAAO is preserved at any surface coverage. On gold, this step is driven by hydrophobic interactions (pH-independent) and the surface bio-activity is highly dependent on the degree of surface coverage. Under these conditions, the surface bio-activity is preserved only at high surfaces coverage. Our results clearly indicate that pkDAAO bio-functionalized surfaces cannot be coupled to amperometry because the analyte interferes the electrochemical signal. However, this simple bio-functionalized strategy can be joined to other detection methods. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. The relationship between alterations in spermatozoal deoxyribonucleic acid, heparin binding sites, and semen quality.

    Science.gov (United States)

    Peluso, J J; Luciano, A A; Nulsen, J C

    1992-03-01

    To assess the relationship between spermatozoal deoxyribonucleic acid (DNA) and fertilizing potential. Semen samples were examined from nine fertile donors and six donors without a confirmed pregnancy. All samples were in the normal range for count, morphology, and motility. Spermatozoa from these specimens were stained with acridine orange or Feulgen's reagent. The presence of heparin binding sites was determined by counting the number of spermatozoa that bound to heparin-coated agarose beads. Acridine orange staining demonstrated that in the fertile group 42% +/- 2% of the spermatozoa fluoresced green indicating that the DNA was intact, whereas only 25% +/- 3% of the spermatozoa fluoresced green in the nonfertile group (P less than 0.05). Feulgen's staining revealed that more spermatozoa from infertile donors showed a heterogeneous DNA distribution (P less than 0.05). The DNA content of spermatozoa with heterogeneous distribution of DNA was reduced by 10% compared with those with homogeneous DNA (P less than 0.05). Normal spermatozoa as well as those with DNA anomalies possessed heparin binding sites. These data demonstrated that in donor specimens with normal counts, morphology, and motility, a higher percentage of spermatozoa possess less and/or denatured DNA in the infertile group compared with the fertile donors. In contrast, the surface membranes of spermatozoa with altered DNA have heparin binding sites as do spermatozoa with intact DNA.

  11. 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

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

    NARCIS (Netherlands)

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

    2014-01-01

    A new definition of the activity of surface sites on lactose carriers for dry powder inhalation is proposed which relates to drug detachment during dispersion. The new definition is expected to improve the understanding of 'carrier surface site activity', which stimulates the unambiguous

  13. Effect of ethylenediamine tetraacetic acid and etidronic acid on the surface roughness of Biodentine: in vitro

    Directory of Open Access Journals (Sweden)

    Özgür İlke Atasoy Ulusoy

    2017-01-01

    Full Text Available Objective: The aim of this study was to evaluate the effect of 9% etidronic acid (HEBP and 17% ethylenediamine tetraacetic acid (EDTA on the surface roughness of Biodentine. Materials and Method: Biodentine (Septodont was mixed according to the manufacturer’s instructions. Briefly, five drops of liquid were added into the capsule containing the powder. Then the capsule was placed in a triturator for 30 sec. The prepared mixture was placed into a mold (diameter: 5 mm, depth: 3 mm. The Biodentine surfaces were polished with silicon carbide abrasive papers. The surface roughness of 30 samples was measured at baseline using a portable surface roughness tester. For this purpose, a 5 mN force was applied onto three different locations of the samples with a speed of 0.8 mm/sec. The samples were divided into two groups according to the irrigation solution (n=15; first group was treated with 9% HEBP, and the second group was treated with 17% EDTA. The surface roughness of the samples was measured again after 1 and 2 min of irrigant application. Data were statistically analyzed using one-way ANOVA and independent sample t-test. Results: For HEBP, no significant difference was found between the surface roughness values at 0., 1., and 2 min (p=0.107; ANOVA. For EDTA, the surface roughness value at 1 min was significantly greater than the baseline value (p<0.001; t-test. The surface roughness changes at the two time periods were significantly different between the EDTA and HEBP groups (p=0.003 for 0-1 min passage, p=0.021 for 1-2 min passage. Conclusion: The use of 17% EDTA may result in deterioration of Biodentine’s surface during perforation repair and root canal treatment.

  14. 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)

  15. Analysis of Active-Site Amino-Acid Residues of Human Serum Paraoxonase Using Competitive Substrates

    National Research Council Canada - National Science Library

    Yeung, David T; Lenz, David E; Cerasoli, Douglas M

    2005-01-01

    ...(s) or its catalytic mechanism. Through site-directed mutagenesis studies, designed from a DFPase-like homology model, and from a crystal structure of a hybrid PONl molecule, amino-acid residues essential for enzyme function...

  16. 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.

  17. 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.

  18. Surface enhanced raman spectroscopy on nucleic acids and related compounds adsorbed on colloidal silver particles

    Science.gov (United States)

    Kneipp, K.; Pohle, W.; Fabian, H.

    1991-04-01

    Various nucleic acids and related compounds have been investigated by surface enhanced Raman spectroscopy (SERS) on silver sol. The time delay between the addition of the various nucleic acids to the silver sol and the appearance of their SER spectra, i.e. the time needed by the various molecules to adsorb on an active site of the silver surface with an adsorption geometry which allows a SERS enhancement, shows strong differences. For instance, an immediate appearance of SER spectra has been found for DNA, whereas ribonucleic acids (RNAs) demonstrated a strong time delay (up to days) of the appearance of their SER spectra. This delay can be tentatively explained by the higher rigidity of RNA molecules compared with DNA. The more flexible DNA molecules are better adaptable to adsorption on silver than RNAs. The SER spectra of RNAs and DNAs showed strong changes within their relative line intensities as a function of time before they achieved stationary conditions, which indicates a protracted re-arrangement of the large molecules on the silver surface.

  19. 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

  20. Improving Evolutionary Models for Mitochondrial Protein Data with Site-Class Specific Amino Acid Exchangeability Matrices

    Science.gov (United States)

    Dunn, Katherine A.; Jiang, Wenyi; Field, Christopher; Bielawski, Joseph P.

    2013-01-01

    Adequate modeling of mitochondrial sequence evolution is an essential component of mitochondrial phylogenomics (comparative mitogenomics). There is wide recognition within the field that lineage-specific aspects of mitochondrial evolution should be accommodated through lineage-specific amino-acid exchangeability matrices (e.g., mtMam for mammalian data). However, such a matrix must be applied to all sites and this implies that all sites are subject to the same, or largely similar, evolutionary constraints. This assumption is unjustified. Indeed, substantial differences are expected to arise from three-dimensional structures that impose different physiochemical environments on individual amino acid residues. The objectives of this paper are (1) to investigate the extent to which amino acid evolution varies among sites of mitochondrial proteins, and (2) to assess the potential benefits of explicitly modeling such variability. To achieve this, we developed a novel method for partitioning sites based on amino acid physiochemical properties. We apply this method to two datasets derived from complete mitochondrial genomes of mammals and fish, and use maximum likelihood to estimate amino acid exchangeabilities for the different groups of sites. Using this approach we identified large groups of sites evolving under unique physiochemical constraints. Estimates of amino acid exchangeabilities differed significantly among such groups. Moreover, we found that joint estimates of amino acid exchangeabilities do not adequately represent the natural variability in evolutionary processes among sites of mitochondrial proteins. Significant improvements in likelihood are obtained when the new matrices are employed. We also find that maximum likelihood estimates of branch lengths can be strongly impacted. We provide sets of matrices suitable for groups of sites subject to similar physiochemical constraints, and discuss how they might be used to analyze real data. We also discuss how

  1. Improving evolutionary models for mitochondrial protein data with site-class specific amino acid exchangeability matrices.

    Directory of Open Access Journals (Sweden)

    Katherine A Dunn

    Full Text Available Adequate modeling of mitochondrial sequence evolution is an essential component of mitochondrial phylogenomics (comparative mitogenomics. There is wide recognition within the field that lineage-specific aspects of mitochondrial evolution should be accommodated through lineage-specific amino-acid exchangeability matrices (e.g., mtMam for mammalian data. However, such a matrix must be applied to all sites and this implies that all sites are subject to the same, or largely similar, evolutionary constraints. This assumption is unjustified. Indeed, substantial differences are expected to arise from three-dimensional structures that impose different physiochemical environments on individual amino acid residues. The objectives of this paper are (1 to investigate the extent to which amino acid evolution varies among sites of mitochondrial proteins, and (2 to assess the potential benefits of explicitly modeling such variability. To achieve this, we developed a novel method for partitioning sites based on amino acid physiochemical properties. We apply this method to two datasets derived from complete mitochondrial genomes of mammals and fish, and use maximum likelihood to estimate amino acid exchangeabilities for the different groups of sites. Using this approach we identified large groups of sites evolving under unique physiochemical constraints. Estimates of amino acid exchangeabilities differed significantly among such groups. Moreover, we found that joint estimates of amino acid exchangeabilities do not adequately represent the natural variability in evolutionary processes among sites of mitochondrial proteins. Significant improvements in likelihood are obtained when the new matrices are employed. We also find that maximum likelihood estimates of branch lengths can be strongly impacted. We provide sets of matrices suitable for groups of sites subject to similar physiochemical constraints, and discuss how they might be used to analyze real data. We

  2. 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.

  3. 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

  4. Remaining Sites Verification Package for the 100-B-23, 100-B/C Area Surface Debris, Waste Site, Waste Site Reclassification Form 2008-027

    Energy Technology Data Exchange (ETDEWEB)

    J. M. Capron

    2008-06-16

    The 100-B-23, 100-B/C Surface Debris, waste consisted of multiple locations of surface debris and chemical stains that were identified during an Orphan Site Evaluation of the 100-B/C Area. Evaluation of the collected information for the surface debris features yielded four generic waste groupings: asbestos-containing material, lead debris, oil and oil filters, and treated wood. Focused verification sampling was performed concurrently with remediation. Site remediation was accomplished by selective removal of the suspect hazardous items and potentially impacted soils. In accordance with this evaluation, the verification sampling results support a reclassification of this site to Interim Closed Out. The results of verification sampling show that residual contaminant concentrations do not preclude any future uses and allow for unrestricted use of shallow zone soils. The results also demonstrate that residual contaminant concentrations are protective of groundwater and the Columbia River.

  5. Grafting hyaluronic acid onto gold surface to achieve low protein fouling in surface plasmon resonance biosensors.

    Science.gov (United States)

    Liu, Xia; Huang, Renliang; Su, Rongxin; Qi, Wei; Wang, Libing; He, Zhimin

    2014-08-13

    Antifouling surfaces capable of reducing nonspecific protein adsorption from natural complex media are highly desirable in surface plasmon resonance (SPR) biosensors. A new protein-resistant surface made through the chemical grafting of easily available hyaluronic acid (HA) onto gold (Au) substrate demonstrates excellent antifouling performance against protein adsorption. AFM images showed the uniform HA layer with a thickness of ∼10.5 nm on the Au surface. The water contact angles of Au surfaces decreased from 103° to 12° with the covalent attachment of a carboxylated HA matrix, indicating its high hydrophilicity mainly resulted from carboxyl and amide groups in the HA chains. Using SPR spectroscopy to investigate nonspecific adsorption from single protein solutions (bovine serum albumin (BSA), lysozyme) and complex media (soybean milk, cow milk, orange juice) to an HA matrix, it was found that ultralow or low protein adsorptions of 0.6-16.1 ng/cm(2) (e.g., soybean milk: 0.6 ng/cm(2)) were achieved on HA-Au surfaces. Moreover, anti-BSA was chosen as a model recognition molecule to characterize the immobilization capacity and the antifouling performance of anti-BSA/HA surfaces. The results showed that anti-BSA/HA sensor surfaces have a high anti-BSA loading of 780 ng/cm(2), together with achieving the ultralow (<3 ng/cm(2) for lysozyme and soybean milk) or low (<17 ng/cm(2) for cow milk and 10% blood serum) protein adsorptions. Additionally, the sensor chips also exhibited a high sensitivity to BSA over a wide range of concentrations from 15 to 700 nM. Our results demonstrate a promising antifouling surface using extremely hydrophilic HA as matrix to resist nonspecific adsorption from complex media in SPR biosensors.

  6. 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.

  7. 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.

  8. 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.

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

    Science.gov (United States)

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

    2007-01-01

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

  10. Trace metal biogeochemistry in mangrove ecosystems: a comparative assessment of acidified (by acid sulfate soils) and non-acidified sites.

    Science.gov (United States)

    Nath, Bibhash; Birch, Gavin; Chaudhuri, Punarbasu

    2013-10-01

    The generation of acidity and subsequent mobilization of toxic metals induced by acid sulfate soils (ASSs) are known to cause severe environmental damage to many coastal wetlands and estuaries of Australia and worldwide. Mangrove ecosystems serve to protect coastal environments, but are increasingly threatened from such ASS-induced acidification due to variable hydrological conditions (i.e., inundation-desiccation cycles). However, the impact of such behaviors on trace metal distribution, bio-availability and accumulation in mangrove tissues, i.e., leaves and pneumatophores, are largely unknown. In this study, we examined how ASS-induced acidifications controlled trace metal distribution and bio-availability in gray mangrove (Avicennia marina) soils and in tissues in the Kooragang wetland, New South Wales, Australia. We collected mangrove soils, leaves and pneumatophores from a part of the wetland acidified from ASS (i.e., an affected site) for detailed biogeochemical studies. The results were compared with samples collected from a natural intertidal mangrove forest (i.e., a control site) located within the same wetland. Soil pH (mean: 5.90) indicated acidic conditions in the affected site, whereas pH was near-neutral (mean: 7.17) in the control site. The results did not show statistically significant differences in near-total and bio-available metal concentrations, except for Fe and Mn, between affected and control sites. Iron concentrations were significantly (p values≤0.001) greater in the affected site, whereas Mn concentrations were significantly (p values≤0.001) greater in the control site. However, large proportions of near-total metals were potentially bio-available in control sites. Concentrations of Fe and Ni were significantly (p values≤0.001) greater in leaves and pneumatophores of the affected sites, whereas Mn, Cu, Pb and Zn were greater in control sites. The degree of metal bio-accumulation in leaves and pneumatophores suggest contrasting

  11. 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.

  12. Modelling hydrochemical and ecological trends in acid sensitive surface waters in the Scottish Highlands

    Directory of Open Access Journals (Sweden)

    Martin KERNAN

    2004-02-01

    Full Text Available The dynamic model MAGIC is used to predict the future response of surface waters to reductions in S deposition as stipulated by the recently agreed emission protocol (the 1999 Gothenburg Protocol. MAGIC was calibrated to 30 sites in the Scottish mountains with the best available soil and deposition data derived from large scale spatial datasets, and surface water chemistry from a regional loch survey conducted in October 2000. A comparison of input parameters and model responses are made at Lochnagar, a site for which detailed, high resolution spatial/temporal data exist. The model is capable of reproducing observed trends in non-marine SO4 2-, however simulated NO3 - from 1990 to 2000 is lower than the observed trends at Lochnagar due to possible hydrological controls and in-lake processes, rather than terrestrial processes. The Scottish Highlands are remote from emission sources and consequently peak deposition inputs of S in the 1980s are relatively low (33 kg S ha-1 y-1 compared to other regions in Europe. Nonetheless the amount of deposition appears sufficient to cause environmental damage in this acid sensitive region. During the 1980s, simulated Acid Neutralising Capacity (ANC of 13% of the modelled lakes was <20 μeq l-1, a chemical condition that potentially can cause damage to freshwater ecology. Regional and site simulations captured the recovery to 2000 in response to the existing emission reductions. Predictions to 2016 indicates the potential for biological recovery and a return to 'good status' as required by the EU Water Framework Directive, although the hydrochemistry of some sites remain some way from simulated pre-acidification conditions.

  13. Soil surface acidity plays a determining role in the atmospheric-terrestrial exchange of nitrous acid.

    Science.gov (United States)

    Donaldson, Melissa A; Bish, David L; Raff, Jonathan D

    2014-12-30

    Nitrous acid (HONO) is an important hydroxyl (OH) radical source that is formed on both ground and aerosol surfaces in the well-mixed boundary layer. Recent studies report the release of HONO from nonacidic soils, although it is unclear how soil that is more basic than the pKa of HONO (∼ 3) is capable of protonating soil nitrite to serve as an atmospheric HONO source. Here, we used a coated-wall flow tube and chemical ionization mass spectrometry (CIMS) to study the pH dependence of HONO uptake onto agricultural soil and model substrates under atmospherically relevant conditions (1 atm and 30% relative humidity). Experiments measuring the evolution of HONO from pH-adjusted surfaces treated with nitrite and potentiometric titrations of the substrates show, to our knowledge for the first time, that surface acidity rather than bulk aqueous pH determines HONO uptake and desorption efficiency on soil, in a process controlled by amphoteric aluminum and iron (hydr)oxides present. The results have important implications for predicting when soil nitrite, whether microbially derived or atmospherically deposited, will act as a net source or sink of atmospheric HONO. This process represents an unrecognized mechanism of HONO release from soil that will contribute to HONO emissions throughout the day.

  14. Activation of Surface ReO x Sites on Al 2 O 3 Catalysts for Olefin Metathesis

    Energy Technology Data Exchange (ETDEWEB)

    Lwin, Soe; Li, Yuanyuan; Frenkel, Anatoly I.; Wachs, Israel E.

    2015-11-06

    The nature of activated surface ReOx sites and surface reaction intermediates for supported ReOx/Al2O3 catalysts during propylene self-metathesis were systematically investigated for the first time using in situ spectroscopy (Raman, UV–vis, XAS (XANES/EXAFS) and IR). In situ Raman spectroscopy reveals that olefins selectively interact with the surface dioxo ReO4 sites anchored at acidic alumina hydroxyls. In situ UV–vis indicates that surface Re5+ and some Re6+ sites form, and in situ XAS indicates a reduction in the number of Re=O bond character in the propylene self-metathesis reaction environment, especially as the temperature is increased. The appearance of oxygenated products during propylene activation supports the conclusion that catalyst activation involves removal of oxygen from the surface rhenia sites (pseudo-Wittig mechanism). Isotopic CD3CD=CD2 → CH3CH=CH2 switch experiments demonstrate the presence of surface Re=CD2 and Re=CDCD3 reaction intermediates, with the surface Re=CD2 species being the most abundant reaction intermediate. In situ IR spectroscopy indicates the presence of significant surface propylene π complexes on alumina and rhenia sites of the catalyst, which complicates analysis of surface reaction intermediates during propylene self-metathesis.

  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. 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.

  17. Data-Driven Surface Traversability Analysis for Mars 2020 Landing Site Selection

    Science.gov (United States)

    Ono, Masahiro; Rothrock, Brandon; Almeida, Eduardo; Ansar, Adnan; Otero, Richard; Huertas, Andres; Heverly, Matthew

    2015-01-01

    The objective of this paper is three-fold: 1) to describe the engineering challenges in the surface mobility of the Mars 2020 Rover mission that are considered in the landing site selection processs, 2) to introduce new automated traversability analysis capabilities, and 3) to present the preliminary analysis results for top candidate landing sites. The analysis capabilities presented in this paper include automated terrain classification, automated rock detection, digital elevation model (DEM) generation, and multi-ROI (region of interest) route planning. These analysis capabilities enable to fully utilize the vast volume of high-resolution orbiter imagery, quantitatively evaluate surface mobility requirements for each candidate site, and reject subjectivity in the comparison between sites in terms of engineering considerations. The analysis results supported the discussion in the Second Landing Site Workshop held in August 2015, which resulted in selecting eight candidate sites that will be considered in the third workshop.

  18. 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

  19. 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

  20. 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

  1. 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

  2. Triangulating Nucleic Acid Conformations Using Multicolor Surface Energy Transfer.

    Science.gov (United States)

    Riskowski, Ryan A; Armstrong, Rachel E; Greenbaum, Nancy L; Strouse, Geoffrey F

    2016-02-23

    Optical ruler methods employing multiple fluorescent labels offer great potential for correlating distances among several sites, but are generally limited to interlabel distances under 10 nm and suffer from complications due to spectral overlap. Here we demonstrate a multicolor surface energy transfer (McSET) technique able to triangulate multiple points on a biopolymer, allowing for analysis of global structure in complex biomolecules. McSET couples the competitive energy transfer pathways of Förster Resonance Energy Transfer (FRET) with gold-nanoparticle mediated Surface Energy Transfer (SET) in order to correlate systematically labeled points on the structure at distances greater than 10 nm and with reduced spectral overlap. To demonstrate the McSET method, the structures of a linear B-DNA and a more complex folded RNA ribozyme were analyzed within the McSET mathematical framework. The improved multicolor optical ruler method takes advantage of the broad spectral range and distances achievable when using a gold nanoparticle as the lowest energy acceptor. The ability to report distance information simultaneously across multiple length scales, short-range (10-50 Å), mid-range (50-150 Å), and long-range (150-350 Å), distinguishes this approach from other multicolor energy transfer methods.

  3. Evaporation of water and uptake of HCl and HBr through hexanol films at the surface of supercooled sulfuric acid.

    Science.gov (United States)

    Glass, Samuel V; Park, Seong-Chan; Nathanson, Gilbert M

    2006-06-22

    Vacuum evaporation and molecular beam scattering experiments have been used to monitor the loss of water and dissolution of HCl and HBr in deuterated sulfuric acid at 213 K containing 0 to 100 mM hexanol. The addition of 1-hexanol to the acid creates a surface film of hexyl species. This film becomes more compact with decreasing acidity, ranging from approximately 62% to approximately 68% of maximum packing on 68 to 56 wt % D(2)SO(4), respectively. D(2)O evaporation from 68 wt % acid remains unaltered by the hexyl film, where it is most porous, but is impeded by approximately 20% from 56 and 60 wt % acid. H --> D exchange experiments further indicate that the hexyl film on 68 wt % acid enhances conversion of HCl and HBr into DCl and DBr, which is interpreted as an increase in HCl and HBr entry into the bulk acid. For this permeable hexyl film, the hydroxyl groups of surface hexanol molecules may assist uptake by providing extra sites for HCl and HBr hydrogen bonding and dissociation. In contrast, HCl --> DCl exchange in 60 wt % D(2)SO(4) at first rises with hexyl surface coverage but then drops back to the bare acid value as the hexyl species pack more tightly. HCl entry is actually diminished by the hexyl film on 56 wt % acid, where the film is most compact. These experiments reveal a transition from a porous hexanol film on 68 wt % sulfuric acid that enhances HCl and HBr uptake to one on 56 wt % acid that slightly impedes HCl and D(2)O transport.

  4. 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.

  5. 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.

  6. Surface structural-chemical characterization of a single-site d0 heterogeneous arene hydrogenation catalyst having 100% active sites

    Science.gov (United States)

    Williams, Linda A.; Guo, Neng; Motta, Alessandro; Delferro, Massimiliano; Fragalà, Ignazio L.; Miller, Jeffrey T.; Marks, Tobin J.

    2013-01-01

    Structural characterization of the catalytically significant sites on solid catalyst surfaces is frequently tenuous because their fraction, among all sites, typically is quite low. Here we report the combined application of solid-state 13C-cross-polarization magic angle spinning nuclear magnetic resonance (13C-CPMAS-NMR) spectroscopy, density functional theory (DFT), and Zr X-ray absorption spectroscopy (XAS) to characterize the adsorption products and surface chemistry of the precatalysts (η5-C5H5)2ZrR2 (R = H, CH3) and [η5-C5(CH3)5]Zr(CH3)3 adsorbed on Brønsted superacidic sulfated alumina (AlS). The latter complex is exceptionally active for benzene hydrogenation, with ∼100% of the Zr sites catalytically significant as determined by kinetic poisoning experiments. The 13C-CPMAS-NMR, DFT, and XAS data indicate formation of organozirconium cations having a largely electrostatic [η5-C5(CH3)5]Zr(CH3)2+···AlS− interaction with greatly elongated Zr···OAlS distances of ∼2.35(2) Å. The catalytic benzene hydrogenation cycle is stepwise understandable by DFT, and proceeds via turnover-limiting H2 delivery to surface [η5-C5(CH3)5]ZrH2(benzene)+···AlS− species, observable by solid-state NMR and XAS. PMID:23269836

  7. High yield synthesis of some phosphonic acid derivatives as surface ...

    African Journals Online (AJOL)

    Efficient synthesis of novel 6-(2-bromo-2-methyl propanoyloxy)hexyl phosphonic acid, dodecane di-phosphonic acid, 6-(thiophene-3-carbonyloxy)hexyl phosphonic acid, octadecyl phosphonic acid and such other derivatives are reported here. These derivatives have a potential application as tethers to nanoparticle ...

  8. Surface effects in the esterification of 9-pyrenebutyric acid within a glass micro reactor

    NARCIS (Netherlands)

    Brivio, M.; Oosterbroek, R.E.; Verboom, Willem; Goedbloed, M.H.; van den Berg, Albert; Reinhoudt, David

    2003-01-01

    Surface phenomena are an important contribution to the chip effect, leading to higher yields and shorter reaction times, as demonstrated for the acid-catalysed esterification of 9-pyrenebutyric acid within a glass fabricated micro reactor.

  9. 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...

  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. Osteoblast response to the surface of amino acid-functionalized hydroxyapatite.

    Science.gov (United States)

    Lee, Wing-Hin; Loo, Ching-Yee; Chrzanowski, Wojciech; Rohanizadeh, Ramin

    2015-06-01

    Interactions between proteins and the surface of biomaterials are crucial for the biological function and success of materials implanted in the human body. In this study, hydroxyapatite (HA) with negative and positive surface charges were fabricated by functionalizing the HA surface with acidic or basic amino acids. The influence of HA surface charge on protein adsorption and cell activities was studied. The crystallinity, morphology, and surface charge of amino acid-functionalized HA (AA-HA) particles and the stability of amino acids on the HA surface were determined. Both AA-HA and unmodified HA were studied for their capacity to adsorb proteins present in biological medium. The results showed that the presence of glutamic acid; Glu (acidic amino acids) and arginine; Arg (basic amino acids) on the HA surface resulted in higher protein adsorption owing to stronger electrostatic attraction between the HA particles and the proteins in medium. Functionalizing HA with Glu and Arg significantly promoted osteoblast adhesion on the surface of treated HA. No significant differences in cell proliferation between negatively and positively charged HA was observed. Significantly higher alkaline phosphatase (ALP) activity of osteoblasts on both charged surfaces was seen as compared to the unmodified HA. The study demonstrated that immobilization of amino acids (Glu and Arg) on the surface of HA promoted osteoblast proliferation and ALP activity. © 2014 Wiley Periodicals, Inc.

  12. 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.

  13. 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

  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. 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.

  16. 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

  17. 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.

  18. 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.

  19. Probing and mapping the binding sites on streptavidin imprinted polymer surface

    International Nuclear Information System (INIS)

    Duman, Memed

    2014-01-01

    Molecular imprinting is an effective technique for preparing recognition sites which act as synthetic receptors on polymeric surfaces. Herein, we synthesized MIP surfaces with specific binding sites for streptavidin and characterized them at nanoscale by using two different atomic force microscopy (AFM) techniques. While the single molecule force spectroscopy (SMFS) reveals the unbinding kinetics between streptavidin molecule and binding sites, simultaneous topography and recognition imaging (TREC) was employed, for the first time, to directly map the binding sites on streptavidin imprinted polymers. Streptavidin modified AFM cantilever showed specific unbinding events with an unbinding force around 300 pN and the binding probability was calculated as 35.2% at a given loading rate. In order to prove the specificity of the interaction, free streptavidin molecules were added to AFM liquid cell and the binding probability was significantly decreased to 7.6%. Moreover, the recognition maps show that the smallest recognition site with a diameter of around ∼ 21 nm which corresponds to a single streptavidin molecule binding site. We believe that the potential of combining SMFS and TREC opens new possibilities for the characterization of MIP surfaces with single molecule resolution under physiological conditions. - Graphical abstract: Simultaneous Topography and RECognition (TREC) imaging is a novel characterization technique to reveal binding sites on molecularly imprinted polymer surfaces with single molecule resolution under physiological conditions. - Highlights: • Highly specific streptavidin printed polymer surfaces were synthesized. • Unbinding kinetic rate of single streptavidin molecule was studied by SMFS. • The distribution of binding pockets was revealed for the first time by TREC imaging. • TREC showed that the binding pockets formed nano-domains on MIP surface. • SMFS and TREC are powerful AFM techniques for characterization of MIP surfaces

  20. 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.

  1. 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.

  2. 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.)

  3. A Conserved Surface Loop in Type I Dehydroquinate Dehydratases Positions an Active Site Arginine and Functions in Substrate Binding

    Energy Technology Data Exchange (ETDEWEB)

    Light, Samuel H.; Minasov, George; Shuvalova, Ludmilla; Peterson, Scott N.; Caffrey, Michael; Anderson, Wayne F.; Lavie, Arnon (UC); (UIC)

    2012-04-18

    Dehydroquinate dehydratase (DHQD) catalyzes the third step in the biosynthetic shikimate pathway. We present three crystal structures of the Salmonella enterica type I DHQD that address the functionality of a surface loop that is observed to close over the active site following substrate binding. Two wild-type structures with differing loop conformations and kinetic and structural studies of a mutant provide evidence of both direct and indirect mechanisms of involvement of the loop in substrate binding. In addition to allowing amino acid side chains to establish a direct interaction with the substrate, closure of the loop necessitates a conformational change of a key active site arginine, which in turn positions the substrate productively. The absence of DHQD in humans and its essentiality in many pathogenic bacteria make the enzyme a target for the development of nontoxic antimicrobials. The structures and ligand binding insights presented here may inform the design of novel type I DHQD inhibiting molecules.

  4. 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)

  5. Effect of glutamic acid on copper sorption onto kaolinite - Batch experiments and surface complexation modeling.

    Science.gov (United States)

    Karimzadeh, Lotfollah; Barthen, Robert; Stockmann, Madlen; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna

    2017-07-01

    High carbonate content of the European Kupferschiefer ore deposits is a challenge for acid copper leaching (pH ≤ 2). Therefore investigating the mobility behavior of Cu(II) under conditions related to an alternative, neutrophil biohydrometallurgical Cu(II) leaching approach is of interest. As glutamic acid (Glu) might be present as a component in the growth media, we studied its effects on the adsorption of Cu(II) onto kaolinite. The binary and ternary batch sorption measurements of Cu(II) and Glu onto kaolinite were performed in the presence of 10 mM NaClO 4 as background electrolyte and at a pH range from 4 to 9. Sorption experiments were modeled by the charge-distribution multi-site ion complexation (CD-MUSIC) model by using single sorption site (≡SOH) and monodentate surface complexation reactions. Glu sorption on kaolinite is weak (kaolinite mimics the Freundlich model. The proposed CD-MUSIC model provides a close fit to the experimental data and predicts the sorption of Cu(II), Cu(II)-Glu and Glu onto kaolinite as well as the effect of Glu on Cu(II) mobility. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Current status of siting a new near surface repository in Romania

    International Nuclear Information System (INIS)

    Ionita, G.; Andrei, V.; Niculae, O.; Petrescu, A.; Sorescu, A.

    2009-01-01

    Full text: The site selection process for a near surface repository dedicated for the radioactive waste resulted from the Cernavoda NPP operation and decommissioning started early in 90's. Each site selection stage included the collection of data from specific field and laboratory works as well as the appropriate safety performance evaluation. In order to assess/confirm the performance of the natural barrier of the Saligny site, the radionuclide concentration in the disposal system compartments has been evaluated, as complementary safety indicator of repository. The siting process was made in accordance with national and international regulations and standards and using a conceptual design similar to those used at L'Aube (France), ElCabril (Spain) or Mohovce (Slovak Republic). ANDRAD, the Romanian waste management organization that has continued the siting process in the last three years applied and obtained a partial siting license from CNCAN in 2008. In 2009, ANDRAD has to prepare the strategy to complete the siting process with the aims to obtain the final siting license from CNCAN and other legal approvals including stakeholders involvement in the decision process for siting the near surface repository at Saligny. Public acceptance issues, in particular acceptance of ANDRAD works in site by the local communities and their representatives are of paramount importance for ANDRAD. The siting of a new radioactive waste repository is a complex process involving multidisciplinary activities and expert teams. ANDRAD needs to develop the appropriate documentation for the safety case of such type of facility. The paper presents the results of the recent performance assessments on the natural barrier of the disposal system and current stage of the repository siting approval. (authors)

  7. 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

  8. 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.

  9. Application of acid modified polyurethane foam surface for detection and removing of organochlorine pesticides from wastewater.

    Science.gov (United States)

    Moawed, E A; Radwan, A M

    2017-02-15

    The commercial polyurethane foam was acid modified to get an inexpensive adsorbent (AM-PUF) has highly surface polarity and sorption capacity. The elemental analysis, scanning electron microscopy, thermal analysis, ultraviolet/visible/infrared spectroscopies and X-ray diffraction were used for characterization of AM-PUF. The surface of AM-PUF has amorphous character (broadband at 2θ, 21.75°) and contains several active sites e.g. NH, OH, CO, CC and COC groups. The electrical conductivity (σ), iodine value and methylene blue index of AM-PUF are 1.7×10 -5 Ω -1 m -1 , 208mg/g and 107mg/g. The AM-PUF has a high efficiency for completely removing (99-100%) of Aldrin, DDT, Endrin, Heptachlor, Heptachlor epoxide and Lindane pesticides in both acidic and alkaline solutions. The removing rates of the organochlorine pesticides from wastewater are very rapid (t 1/2 =22s). The negative value of ΔG (-10.9kJ/mol) for removing of OCPs using AM-PUF showed that the feasibility of the removing process and its spontaneous nature. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. 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

  11. 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.

  12. Impacts of Surface Site Coordination on Arsenate Adsorption: Macroscopic Uptake and Binding Mechanisms on Aluminum Hydroxide Surfaces.

    Science.gov (United States)

    Xu, Tingying; Catalano, Jeffrey G

    2016-12-13

    Aluminum hydroxides play important roles in regulating the fate and transport of contaminants and nutrients in soils and aquatic systems. Like many metal oxides, these minerals display surface functional groups in a series of coordination states, each of which may differ in its affinity for adsorbates. The distribution of functional group types varies among distinct surfaces of aluminum hydroxides, and we thus hypothesize that the adsorption behavior and mechanisms will show a dependence on particle morphology. To test this hypothesis, we investigate arsenate adsorption on two aluminum hydroxide polymorphs with distinct particle morphologies, gibbsite [γ-Al(OH) 3 ] and bayerite [α-Al(OH) 3 ], at pH 4 and 7. Synthetic gibbsite platelets expose large (001) basal surfaces predicted to be terminated by doubly coordinated functional groups (>Al 2 OH). In contrast, synthetic bayerite microrods display mainly edge surfaces (parallel to the c axis) containing abundant singly coordinated functional groups (>AlOH 2 ). Macroscopic adsorption studies show that gibbsite adsorbs less arsenate per unit surface area than bayerite at both pH values and suggest that two surface complexes form on each material. Similar electrokinetic behavior is displayed at the same relative coverages of arsenate, suggesting that similar reactive surface groups (>AlOH 2 ) control the surface charging on both particles. EXAFS spectroscopy shows that there is no variation in arsenate surface speciation on a given mineral with surface coverage or pH. Whereas bidentate binuclear inner-sphere species are the dominant complexes present, the EXAFS result suggest that outer-sphere species also occur on both minerals, with a greater abundance on gibbsite. This binding mode likely involves adsorption to >Al 2 OH sites, which have a slow ligand exchange rate that inhibits inner-sphere binding. These results demonstrate that adsorption mechanisms and capacity, even when normalized for specific surface area

  13. 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.

  14. Surface modification of model hydrogel contact lenses with hyaluronic acid via thiol-ene "click" chemistry for enhancing surface characteristics.

    Science.gov (United States)

    Korogiannaki, Myrto; Zhang, Jianfeng; Sheardown, Heather

    2017-10-01

    Discontinuation of contact lens wear as a result of ocular dryness and discomfort is extremely common; as many as 26% of contact lens wearers discontinue use within the first year. While patients are generally satisfied with conventional hydrogel lenses, improving on-eye comfort continues to remain a goal. Surface modification with a biomimetic, ocular friendly hydrophilic layer of a wetting agent is hypothesized to improve the interfacial interactions of the contact lens with the ocular surface. In this work, the synthesis and characterization of poly(2-hydroxyethyl methacrylate) surfaces grafted with a hydrophilic layer of hyaluronic acid are described. The immobilization reaction involved the covalent attachment of thiolated hyaluronic acid (20 kDa) on acrylated poly(2-hydroxyethyl methacrylate) via nucleophile-initiated Michael addition thiol-ene "click" chemistry. The surface chemistry of the modified surfaces was analyzed by Fourier transform infrared spectroscopy-attenuated total reflectance and X-ray photoelectron spectroscopy. The appearance of N (1s) and S (2p) peaks on the low resolution X-ray photoelectron spectroscopy spectra confirmed successful immobilization of hyaluronic acid. Grafting hyaluronic acid to the poly(2-hydroxyethyl methacrylate) surfaces decreased the contact angle, the dehydration rate, and the amount of nonspecific sorption of lysozyme and albumin in comparison to pristine hydrogel materials, suggesting the development of more wettable surfaces with improved water-retentive and antifouling properties, while maintaining optical transparency (>92%). In vitro testing also showed excellent viability of human corneal epithelial cells with the hyaluronic acid-grafted poly(2-hydroxyethyl methacrylate) surfaces. Hence, surface modification with hyaluronic acid via thiol-ene "click" chemistry could be useful in improving contact lens surface properties, potentially alleviating symptoms of contact lens related dryness and discomfort during

  15. Reconstruction of surface waves using super virtual interferometry: an example from the Forsmark site, Sweden

    Science.gov (United States)

    Xu, Zhuo; Juhlin, Christopher; Han, Liguo; Zhang, Fengjiao

    2017-10-01

    Seismic interferometry is a technique that enables the extraction of the seismic impulse response (Green's function) between two receivers. The retrieved response is generally dominated by surface waves when sources are located at or near the surface of the Earth. In onshore seismic exploration, dealing with complex near-surface conditions is one of the main challenges for seismic data processing. In some cases, seismic interferometry can be used for suppressing surface waves without the use of a priori near-surface velocity model. Aside from being an effective tool for surface wave attenuation, the reconstructed surface waves generated by seismic interferometry contain useful information about near-surface heterogeneities and can be used to characterize the near-surface velocity field. In this study, we apply super virtual interferometry (SVI) to a real onshore data set from the Forsmark site, central Sweden, with the primary aim of characterizing shallow-subsurface structure. This is accomplished by improving the dispersion characteristics of the surface waves. We also show that SVI performs better than conventional correlation-type and convolution-type interferometry when reconstructing surface waves, both in synthetic and real data. We use the dispersive behaviour of the reconstructed surface waves to infer the geological structure of the shallow subsurface.

  16. 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

  17. 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.

  18. 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)

  19. 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.

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

    Czech Academy of Sciences Publication Activity Database

    Tepnual, T.; Feketeová, L.; Grill, V.; Scheier, P.; Herman, Zdeněk; Märk, T. D.

    2005-01-01

    Roč. 244, 2-3 (2005), s. 164-170 ISSN 1387-3806 R&D Projects: GA AV ČR IAA4040405 Institutional research plan: CEZ:AV0Z40400503 Keywords : formic acid * surface-induced dissociation * surface-induced reaction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.090, year: 2005

  1. 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.

  2. On-Site Surface Functionalization for Titanium Dental Implant with Nanotopography: Review and Outlook

    Directory of Open Access Journals (Sweden)

    Byung Gyu Kim

    2016-01-01

    Full Text Available Titanium (Ti has been the first choice of material for dental implant due to bonding ability to natural bone and great biocompatibility. Various types of surface roughness modification in nanoscale have been made as promising strategy for accelerating osseointegration of Ti dental implant. To have synergetic effect with nanotopography oriented favors in cell attachment, on-site surface functionalization with reproducibility of nanotopography is introduced as next strategy to further enhance cellular bioactivity. Extensive research has been conducted to investigate the potential of nanotopography preserved on-site surface functionalization for Ti dental implant. This review will discuss nonthermal atmospheric pressure plasma, ultraviolet, and low level of laser therapy on Ti dental implant with nanotopography as next generation of surface functionalization due to its abilities to induce superhydrophilicity or biofunctionality without change of nanotopography.

  3. 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.

  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. Direct epoxidation of propylene over stabilized Cu(+) surface sites on titanium-modified Cu2O.

    Science.gov (United States)

    Yang, Xiaofang; Kattel, Shyam; Xiong, Ke; Mudiyanselage, Kumudu; Rykov, Sergei; Senanayake, Sanjaya D; Rodriguez, José A; Liu, Ping; Stacchiola, Dario J; Chen, Jingguang G

    2015-10-05

    Direct propylene epoxidation by O2 is a challenging reaction because of the strong tendency for complete combustion. Results from the current study demonstrate that by generating highly dispersed and stabilized Cu(+) active sites in a TiCuOx mixed oxide the epoxidation selectivity can be tuned. The TiCuOx surface anchors the key surface intermediate, an oxametallacycle, leading to higher selectivity for epoxidation of propylene. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. 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)

  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. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    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. 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

  11. 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.

  12. 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.

  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. 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

  15. 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

  16. Experimental and Mechanistic Understanding of Aldehyde Hydrogenation Using Au25 Nanoclusters with Lewis Acids: Unique Sites for Catalytic Reactions.

    Science.gov (United States)

    Li, Gao; Abroshan, Hadi; Chen, Yuxiang; Jin, Rongchao; Kim, Hyung J

    2015-11-18

    The catalytic activity of Au25(SR)18 nanoclusters (R = C2H4Ph) for the aldehyde hydrogenation reaction in the presence of a base, e.g., ammonia or pyridine, and transition-metal ions M(z+), such as Cu(+), Cu(2+), Ni(2+) and Co(2+), as a Lewis acid is studied. The addition of a Lewis acid is found to significantly promote the catalytic activity of Au25(SR)18/CeO2 in the hydrogenation of benzaldehyde and a number of its derivatives. Matrix-assisted laser desorption ionization (MALDI) and electrospray ionization (ESI) mass spectrometry in conjunction with UV-vis spectroscopy confirm the generation of new species, Au25-n(SR)18-n (n = 1-4), in the presence of a Lewis acid. The pathways for the speciation of Au24(SR)17 from its parent Au25(SR)18 nanocluster as well as its structure are investigated via the density functional theory (DFT) method. The adsorption of M(z+) onto a thiolate ligand "-SR-" of Au25(SR)18, followed by a stepwise detachment of "-SR-" and a gold atom bonded to "-SR-" (thus an "Au-SR" unit) is found to be the most likely mechanism for the Au24(SR)17 generation. This in turn exposes the Au13-core of Au24(SR)17 to reactants, providing an active site for the catalytic hydrogenation. DFT calculations indicate that M(z+) is also capable of adsorbing onto the Au13-core surface, producing a possible active metal site of a different kind to catalyze the aldehyde hydrogenation reaction. This study suggests, for the first time, that species with an open metal site like adducts [nanoparticle-M]((z-1)+) or fragments Au25-n(SR)18-n function as the catalysts rather than the intact Au25(SR)18.

  17. Clear-sky radiative closure for the Cabauw Baseline Surface Radiation Network site, the Netherlands

    NARCIS (Netherlands)

    Wang, P.; Knap, W.H.; Kuipers Munneke, P.; Stammes, P.

    2009-01-01

    In this paper a clear-sky shortwave closure analysis is presented for the Baseline Surface Radiation Network (BSRN) site of Cabauw, Netherlands (51.97°N, 4.93°E). The analysis is based on an exceptional period of fine weather during the first half of May 2008, resulting in a selection of 72

  18. 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 ...

  19. 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.

  20. Dissolved and acid available particulate beryllium in eastern UK surface waters.

    Science.gov (United States)

    Neal, Colin

    2003-10-01

    The concentrations of beryllium (Be) in surface waters are presented for major water quality surveys of eastern UK rivers, based on extensive work within a major environmental programme, the Land Ocean Interaction Study (LOIS). Two measurements were made, one for dissolved Be (i.e. the fraction that can pass through 0.45-microm membrane filters) the other for acid available total Be (dissolved Be plus the fraction of particulate Be that can be leached by a 1% v/v concentrated nitric acid solution). Dissolved Be concentrations are generally less than 1 microg l(-1) with a mean of approximately 0.02 microg l(-1), but higher values occur across the eastern UK rivers between 16th October and 7th November 1995 under neutral to alkaline conditions where Be would not be expected to be mobile. The higher values vary from river to river and there is a marked increase from north to south with particularly high concentrations (up to 29 microg l(-1)) for the industrial and urban impacted rivers of the southern Humber basin. The results show a major increase in dissolved Be at a time of exceptional drought conditions and climate instability, which seems to be linked to industrial/urban catchment systems. The average dissolved Be flux is 0.22 gha(-1) year(-1) with a range in mean across the sites of 0.08-0.45 gha(-1) year(-1). Without the period of enhanced Be concentrations, the Be flux through the period would have been approximately 40% less. There is no clear distinction between the dissolved Be flux for the rural and urban/industrial catchment systems. Acid available particulate Be (AAPBe) concentrations are low across the eastern UK rivers, they range between 0 and 1.33 microg l(-1) with a mean of 0.02 microg l(-1) and the highest concentrations occur for the industrial/urban rivers (approximately twice the levels occurring within the rural rivers). The AAPBe concentrations are linearly correlated with the concentrations of suspended sediment, particulate organic carbon

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

    Energy Technology Data Exchange (ETDEWEB)

    Bechtel Nevada

    2005-08-01

    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.

  2. 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

  3. 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

  4. 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.

  5. 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.

  6. Surface activity and molecular characteristics of cuttlefish skin gelatin modified by oxidized linoleic acid

    NARCIS (Netherlands)

    Aewsiri, T.; Benjakul, S.; Visessanguan, W.; Wierenga, P.A.; Gruppen, H.

    2011-01-01

    Surface activity and molecular changes of cuttlefish skin gelatin modified with oxidized linoleic acid (OLA) prepared at 60, 70 and 80 °C at different times were investigated. Modification of gelatin with OLA could improve surface activity of resulting gelatin as evidenced by the decreased surface

  7. 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.

  8. Adaptive Strategies of Bacillus thuringiensis Isolated from Acid Mine Drainage Site in Sabah, Malaysia.

    Science.gov (United States)

    Yik, Low Yi; Chin, Grace Joy Wei Lie; Budiman, Cahyo; Joseph, Collin Glenn; Musta, Baba; Rodrigues, Kenneth Francis

    2018-06-01

    The adaptive process in bacteria is driven by specific genetic elements which regulate phenotypic characteristics such as tolerance to high metal ion concentrations and the secretion of protective biofilms. Extreme environments such as those associated with heavy metal pollution and extremes of acidity offer opportunities to study the adaptive mechanisms of microorganisms. This study focused on the genome analysis of Bacillus thuringiensis (Bt MCMY1), a gram positive rod shaped bacterium isolated from an acid mine drainage site in Sabah, Malaysia by using a combination of Single Molecule Real Time DNA Sequencing, Scanning Electron Microscopy (SEM) and Fourier Transform Infrared Spectroscopy (FTIR). The genome size of Bt MCMY1 was determined to be 5,458,152 bases which was encoded on a single chromosome. Analysis of the genome revealed genes associated with resistance to Copper, Mercury, Arsenic, Cobalt, Zinc, Cadmium and Aluminum. Evidence from SEM and FTIR indicated that the bacterial colonies form distinct films which bear the signature of polyhydroxyalkanoates (PHA) and this finding was supported by the genome data indicating the presence of a genetic pathway associated with the biosynthesis of PHAs. This is the first report of a Bacillus sp. isolated from an acid mine drainage site in Sabah, Malaysia and the genome sequence will provide insights into the manner in which B. thuringiensis adapts to acid mine drainage.

  9. Effects of different sulfuric acid etching concentrations on PEEK surface bonding to resin composite.

    Science.gov (United States)

    Chaijareenont, Pisaisit; Prakhamsai, Sasiprapha; Silthampitag, Patcharawan; Takahashi, Hidekazu; Arksornnukit, Mansuang

    2018-01-26

    This study evaluated the effects of surface pretreatment with different concentrations of sulfuric acid etching on surface properties and bonding between Polyetheretherketone (PEEK) and a resin composite. Six groups of surface pretreatment (no pretreatment, etched with 70, 80, 85, 90, and 98% sulfuric acid for 60 s) were treated on PEEK. Surface roughness, scanning electron microscopy (SEM) and atomic force microscopy (AFM) analyses were examined. Shear bond strength (SBS) and cross-sectional observations of the interfaces were performed. One-way ANOVA analysis revealed differences in surface roughness and SBS between groups. The 90 and 98% sulfuric acid etching significantly achieved the highest SBS (psulfuric acid etching were suggested to be the optimal concentration to improve adhesion between PEEK and the resin composite.

  10. 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®

  11. 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

  12. 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

  13. 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

  14. 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

  15. Urban Climate Station Site Selection Through Combined Digital Surface Model and Sun Angle Calculations

    Science.gov (United States)

    Kidd, Chris; Chapman, Lee

    2012-01-01

    Meteorological measurements within urban areas are becoming increasingly important due to the accentuating effects of climate change upon the Urban Heat Island (UHI). However, ensuring that such measurements are representative of the local area is often difficult due to the diversity of the urban environment. The evaluation of sites is important for both new sites and for the relocation of established sites to ensure that long term changes in the meteorological and climatological conditions continue to be faithfully recorded. Site selection is traditionally carried out in the field using both local knowledge and visual inspection. This paper exploits and assesses the use of lidar-derived digital surface models (DSMs) to quantitatively aid the site selection process. This is acheived by combining the DSM with a solar model, first to generate spatial maps of sky view factors and sun-hour potential and second, to generate site-specific views of the horizon. The results show that such a technique is a useful first-step approach to identify key sites that may be further evaluated for the location of meteorological stations within urban areas.

  16. 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

  17. Spectroscopic study of binding of chlorogenic acid with the surface of ZnO nanoparticles

    Science.gov (United States)

    Belay, Abebe; Kim, Hyung Kook; Hwang, Yoon-Hwae

    2017-09-01

    Understanding the interaction properties of biological materials with ZnO NPs is fundamental interest in the field of biotechnological applications as well as in the formation of optoelectronic devices. In this research, the binding of ZnO NPs and chlorogenic acid (CGA) were investigated using fluorescence quenching, UV-Vis absorption spectroscopy, Fourier transform infrared (FTIR), Raman spectroscopy, scanning electron microscopy (TEM), and dynamic light scattering (DLS) techniques. The study results indicated the fluorescence quenching between ZnO NPs and CGA rationalized in terms of static quenching mechanism or the formation of nonfluorescent CGA-ZnO. From fluorescence quenching spectral analysis the binding constant ( K a ), number of binding sites ( n), and thermodynamic properties, were determined. The quenching constants ( K sv) and binding constant ( K a ), decrease with increasing the temperature and their binding sites n are 2. The thermodynamic parameters determined using Van't Hoff equation indicated binding occurs spontaneously involving the hydrogen bond and van der Walls forces played the major role in the reaction of ZnO NPs with CGA. The Raman, SEM, DLS, and Zeta potential measurements were also indicated the differences in the structure, morphology and sizes of CGA, ZnO NPs, and their corresponding CGA-ZnO due to adsorption of CGA on the surface of ZnO NPs

  18. 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

  19. 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

  20. 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

  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. 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.

  3. Poisoning the active site of electrochemical reduction of dioxygen on metal monolayer modified electrode surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Oh, I.; Biggin, M.E.; Gewirth, A.A.

    2000-02-08

    The four electron electroreduction of dioxygen to water on the (2 x 2) Bi upd adlattice on Au(111) has been studied by deliberately poisoning the adlattice with thiocyanate and ethanethiol during the course of electroreduction activity. The diminution in reduction activity was monitored using chronoamperometry. For SCN{sup {minus}}, the drop in current could be modeled using a Langmuir kinetic expression yielding an adsorption rate constant of 1.1 x 10{sup 4}s{sup {minus}1}M{sup {minus}1}. The rate for ethanethiol could not be measured exactly but is approximately the same. STM images of the surface obtained following introduction of SCN{sup {minus}} revealed a (4 x 4) adlattice, which was partially (6%) defected. The percentage of defects agreed well with the percentage of residual current found at long times (3%) leading the authors to associate these defects with sites of catalytic activity. STM images obtained from surfaces poisoned with ethanethiol revealed two lattices: a (8 x 8) structure which was unstable and a more stable ({radical}57 x 3) structure which is consistent with an overlayer of thiols lying flat on the surface. IR studies of the SCN{sup {minus}}-poisoned surface showed that the SCN{sup {minus}} was S-bound to the surface at almost the same energy as that expected from SCN{sup {minus}} bound to a bare Au(111) surface. XPS measurements on emersed samples showed that Bi and S were present on the surface. Analysis of these data suggests that the site of dioxygen association with the (2 x 2) Bi unpoisoned surface is the uncoordinated Au atom in the (2 x 2) unit cell.

  4. A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

    NARCIS (Netherlands)

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

    2009-01-01

    A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the

  5. 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.

  6. 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.

  7. Encapsulating fluorescein using adipic acid self-assembly on the surface of PPI-3 dendrimer.

    Science.gov (United States)

    Chai, Minghui; Holley, Aaron K; Kruskamp, Michael

    2007-01-14

    A water-soluble self-assembly has been formed by associating adipic acid molecules onto the surface of the third generation poly(propyleneimine) dendrimer and this system has been used to encapsulate fluorescein.

  8. 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).

  9. 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).

  10. 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

  11. Structural insight into the active site of mushroom tyrosinase using phenylbenzoic acid derivatives.

    Science.gov (United States)

    Oyama, Takahiro; Yoshimori, Atsushi; Takahashi, Satoshi; Yamamoto, Tetsuya; Sato, Akira; Kamiya, Takanori; Abe, Hideaki; Abe, Takehiko; Tanuma, Sei-Ichi

    2017-07-01

    So far, many inhibitors of tyrosinase have been discovered for cosmetic and clinical agents. However, the molecular mechanisms underlying the inhibition in the active site of tyrosinase have not been well understood. To explore this problem, we examined here the inhibitory effects of 4'-hydroxylation and methoxylation of phenylbenzoic acid (PBA) isomers, which have a unique scaffold to inhibit mushroom tyrosinase. The inhibitory effect of 3-PBA, which has the most potent inhibitory activity among the isomers, was slightly decreased by 4'-hydroxylation and further decreased by 4'-methoxylation against mushroom tyrosinase. Surprisingly, 4'-hydroxylation but not methoxylation of 2-PBA appeared inhibitory activity. On the other hand, both 4'-hydroxylation and methoxylation of 4-PBA increased the inhibitory activity against mushroom tyrosinase. In silico docking analyses using the crystallographic structure of mushroom tyrosinase indicated that the carboxylic acid or 4'-hydroxyl group of PBA derivatives could chelate with cupric ions in the active site of mushroom tyrosinase, and that the interactions of Asn260 and Phe264 in the active site with the adequate-angled biphenyl group are involved in the inhibitory activities of the modified PBAs, by parallel and T-shaped π-π interactions, respectively. Furthermore, Arg268 could fix the angle of the aromatic ring of Phe264, and Val248 is supposed to interact with the inhibitors as a hydrophobic manner. These results may enhance the structural insight into mushroom tyrosinase for the creation of novel tyrosinase inhibitors. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. 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.

  13. 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.

  14. 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

  15. Detection of alkylmethylphosphonic acids on leaf surfaces by static secondary ion mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ingram, J.C.; Groenewold, G.S.; Appelhans, A.D.; Delmore, J.E.; Dahl, D.A. (Idaho National Engineering Lab., Idaho Falls, ID (United States))

    1995-01-01

    Detection of environmental degradation products of nerve agents directly from the surface of plant leaves using static secondary ion mass spectrometry (SIMS) is demonstrated. Pinacolylmethylphosphonic acid (PMPA), isopropylmethylphosphonic acid (IMPA), and ethylmethylphosphonic acid (EMPA) were spiked from aqueous solutions onto philodendron leaves prior to analysis by static SIMS. Fragment ions were observed in the anion SIMS spectra from all three compounds at m/z 63, 77, 79, and 95, which are attributed to PO[sub 2][sup [minus

  16. 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

  17. 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.

  18. 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

  19. 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

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

    Directory of Open Access Journals (Sweden)

    Hua Wang

    2014-11-01

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

  1. 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

  2. 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.

  3. Stabilizing Single Sites on Solid Supports: Robust Grafted Ti(IV)-Calixarene Olefin Epoxidation Catalysts via Surface Polymerization and Cross-Linking

    OpenAIRE

    Guo, Yijun; Solovyov, Andrew; Grosso-Giordano, Nicolás A.; Hwang, Son-Jong; Katz, Alexander

    2016-01-01

    This manuscript develops a surface polymerization and cross-linking approach for the stabilization of single-site catalysts on solid surfaces, which is demonstrated here for grafted Ti(IV)-calixarene Lewis acids on silica. Our approach relies on cationic polymerization that is initiated by an adsorbed B(C_6F_5)_3 and uses styrene as the monomer and diisopropenylbenzene as the cross-linking agent. The mildness of this polymerization method is demonstrated by its lack of blocking micropores and...

  4. Aromatic boronic acids as probes of the catalytic site of human plasma lecithin-cholesterol acyltransferase.

    Science.gov (United States)

    Jauhiainen, M; Ridgway, N D; Dolphin, P J

    1987-04-03

    serine and histidine residues are proximal within the enzyme catalytic site and that both cysteine thiol groups are close to the serine hydroxyl group. The presence of significant amino-acid sequence homologies between lecithin-cholesterol acyltransferase, triacylglycerol lipases and the transacylases of fatty acid synthase is also reported.

  5. 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

  6. Arsonic acid as a robust anchor group for the surface modification of Fe3O4.

    Science.gov (United States)

    Ahn, Jihoon; Moon, Doo-Sik; Lee, Jin-Kyu

    2013-12-03

    In order to use iron oxide nanoparticles (Fe3O4) in various applications, a surface modification that provides colloidal stability and additional functionality to the nanoparticles is necessary. For the modification of the nanoparticle surface with ligand molecules, the ligand molecule should contain an anchor group that has a strong affinity for the surface. However, currently used anchor groups have shown some problems such as low affinity and stability as well as reactivity with the surface. In this study, arsonic acid (RAsO(OH)2) was investigated as a novel anchor group. It was possible to introduce azide groups on the surface of iron oxide nanoparticles using 4-azidophenylarsonic acid, and the desired functional molecules could be chemically attached to the surface via copper-catalyzed azide-alkyne cycloaddition (click chemistry). By quantifying and comparing the amount of attached anchors on the surface, it was found that arsonic acid displays better affinity than other currently used anchors (catechol, carboxylic acid). Furthermore, we examined the binding reversibility, long-term anchoring stability, and anchoring stability at various pH values. It was revealed that arsonic acid is a stable anchor in various conditions.

  7. Sulfuric Acid on Europa's Surface and the Radiolytic Sulfur Cycle

    Science.gov (United States)

    Carlson, R.; Johnson, R.; Anderson, M.

    1999-01-01

    Galileo infrared spectra of Europa's surface show distorted water bands that have been attributed to hydrated evaporite salts (McCord et al., J. Geophys. Res. 104, 11827, 1999) or to the scattering properties of ice (Dalton and Clark, Bull. Am. Astron. Soc. 30, 1081, 1998).

  8. 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

  9. Differences in surface roughness of nanohybrid composites immersed in varying concentrations of citric acid

    Directory of Open Access Journals (Sweden)

    Gabriela Kevina Alifen

    2017-06-01

    Full Text Available Background: The surface roughness of restoration is important in predicting the length of time it might remain in the mouth. Conditions within the oral cavity can affect the surface roughness of a restoration. Nanohybrid composite is widely used in dentistry because it can be applied to restore anterior and posterior teeth. Athletes routinely consume isotonic drinks which are acidic and even more erosive than the carbonated variety because they contain a range of acids; the highest content of which being citric acid. Purpose: The aim of the study was to analyze the surface roughness of nanohybrid composite after having been subjected to immersion in varying concentrations of citric acid. Methods: Two isotonic drinks (Pocari Sweat and Mizone were analyzed using high performance liquid chromatography (HPLC to quantify the respective concentrations of citric acid which they contained. A total of 27 samples of cylindrical nanohybrid composite were prepared before being divided into three groups. In Group 1, samples were immersed in citric acid solution derived from Pocari Sweat. Those of Group 2 were immersed in citric acid solution derived from Mizone; while Group 3, samples were immersed in distilled water as a control. All samples were immersed for 7 days, before their surface roughness was tested by means of a surface roughness tester (Mitutoyo SJ-201. Data was analyzed using a one-way ANOVA test. Results: The results showed that there was no significant difference in surface roughness between Groups 1, 2 and 3 (p=0.985. Conclusion: No difference in surface roughness of nanohybrid composites results from prolonged immersion in varying concentrations of citric acid.

  10. 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

  11. The oxidation of formic acid to carbonate at Cu(110) surfaces

    Science.gov (United States)

    Carley, Albert F.; Davies, Philip R.; Mariotti, Gregorio G.

    1998-04-01

    The reaction of formic acid with pre-oxidised Cu(110) surfaces is re-evaluated on the basis of new temperature programmed desorption and X-ray photoelectron spectroscopy results. It is shown that at high oxygen coverages and for high formic acid exposures, or after co-adsorption of formic acid and dioxygen, a surface carbonate is formed. The carbonate appears to be very similar to that formed by the oxidation of CO 2, at higher pressures, which was reported in an earlier paper. The results also account for a number of unexplained observations on this system and provide further support for the involvement of carbonate in methanol synthesis on copper.

  12. 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

  13. SAVANNAH RIVER SITE TANK CLEANING: CORROSION RATE FOR ONE VERSUS EIGHT PERCENT OXALIC ACID SOLUTION

    Energy Technology Data Exchange (ETDEWEB)

    Ketusky, E.; Subramanian, K.

    2011-01-20

    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

  14. 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...

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. Evaluation of Acid Etching on Surface Characteristics, Strength and Biological Response of Glass-Infiltrated Zirconia.

    Science.gov (United States)

    Vu, Van Thi; Oh, Gye-Jeong; Lim, Hyun-Pil; Yun, Kwi-Dug; Kim, Ji-Won; Park, Sang-Won

    2018-03-01

    This study evaluated the effect of acid etching on surface characteristics, flexural strength and osteoblast cell response of glass-infiltrated zirconia. Zirconia specimens were divided into six groups: untreated zirconia (Z); glass-infiltrated zirconia (ZG); glass-infiltrated and sandblasted zirconia (ZGS); glass-infiltrated, sandblasted and 5 min acid-etched zirconia (ZGS-E5); glassinfiltrated, sandblasted and 15 min acid-etched zirconia (ZGS-E15); glass-infiltrated, sandblasted and 25 min acid-etched zirconia (ZGS-E25). Surface roughness, biaxial flexural strength and MC3T3-E1 cell proliferation were evaluated. When increasing etching time, surface roughness significantly increased while flexural strength decreased. Cell proliferation rate at day 3 on group ZGS-E15 and ZGS-E25 was significantly higher than that of other groups. Surface roughness and flexural strength of glass-infiltrated zirconia can be controlled by adjusting etching time. Rough surface made by acid etching following glass infiltration significantly enhanced osteoblast cell response. Glass infiltration improved strength of zirconia but severe acid etching slightly reduced strength of zirconia.

  2. Asymmetric Anion-π Catalysis: Enamine Addition to Nitroolefins on π-Acidic Surfaces.

    Science.gov (United States)

    Zhao, Yingjie; Cotelle, Yoann; Avestro, Alyssa-Jennifer; Sakai, Naomi; Matile, Stefan

    2015-09-16

    Here we provide experimental evidence for anion-π catalysis of enamine chemistry and for asymmetric anion-π catalysis. A proline for enamine formation on one side and a glutamic acid for nitronate protonation on the other side are placed to make the enamine addition to nitroolefins occur on the aromatic surface of π-acidic naphthalenediimides. With increasing π acidity of the formally trifunctional catalysts, rate and enantioselectivity of the reaction increase. Mismatched and more flexible controls reveal that the importance of rigidified, precisely sculpted architectures increases with increasing π acidity as well. The absolute configuration of stereogenic sulfoxide acceptors at the edge of the π-acidic surface has a profound influence on asymmetric anion-π catalysis and, if perfectly matched, affords the highest enantio- and diastereoselectivity.

  3. Influence of surface modification by sulfuric acid on coking coal's adsorption of coking wastewater.

    Science.gov (United States)

    Gao, Lihui; Wen, Hong; Tian, Quanzhi; Wang, Yongtian; Li, Guosheng

    2017-07-01

    Coking coal, the raw material of a coke plant, was applied to the adsorption of coking wastewater. In this study, coking coal was directly treated with sulfuric acid to improve its surface properties and adsorption ability. Acid treatment was carried out at various concentrations, by varying from 0.001 to 1 mol/L. The samples were characterized by ash content analysis, scanning electron microscope (SEM), N 2 adsorption-desorption analysis, Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), wettability analysis, and zeta potential analysis. These results demonstrated that H + could react with inorganic minerals, which resulted in a significant variation of the chemical composition and the structure of coal surface. Furthermore, both the ash content and the surface content of O = C-O, C = O and C-O groups declined gradually as the concentration of sulfuric acid increased, while the surface area and pore volume of micropore, the lipophilic and hydrophobic properties, and zeta potential magnitude increased, resulting in enhanced hydrophobic and Van der Waals' forces between the fine coal and organic pollutants. Characterization modification showed a better performance in adsorption, the removal rate enhanced from 23% to 42% after treated by 1 mol/L sulfuric acid. It was concluded that the acid activation modified the lipophilic and hydrophobic properties, the surface charge properties, surface area and pore volume, the content of oxygen functional groups, all of which could be potentially useful in wastewater adsorption.

  4. Mechanisms of Radionuclide-Hyroxycarboxylic Acid Interactions for Decontamination of Metallic Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    A.J. Francis; C.J. Dodge; J.B. Gillow; G.P. Halada; C.R. Clayton

    2002-04-24

    Is this EMSP program we investigated the key fundamental issues involved in the use of simple and safe methods for the removal of radioactive contamination from equipment and facilities using hydroxycarboxylic acids. Specifically, we investigate (i) the association of uranium with various iron oxides commonly formed on corroding plain carbon steel surfaces, (ii) the association of uranium with corroding metal coupons under a variety of conditions, and (iii) the decontamination of the uranium contaminated metal coupons by citric acid or citric acid formulations containing oxalic acid and hydrogen peroxide.

  5. Hydrogenation of biofuels with formic acid over a palladium-based ternary catalyst with two types of active sites.

    Science.gov (United States)

    Wang, Liang; Zhang, Bingsen; Meng, Xiangju; Su, Dang Sheng; Xiao, Feng-Shou

    2014-06-01

    A composite catalyst including palladium nanoparticles on titania (TiO2) and on nitrogen-modified porous carbon (Pd/TiO2@N-C) is synthesized from palladium salts, tetrabutyl titanate, and chitosan. N2 sorption isotherms show that the catalyst has a high BET surface area (229 m(2)  g(-1)) and large porosity. XPS and TEM characterization of the catalyst shows that palladium species with different chemical states are well dispersed across the TiO2 and nitrogen-modified porous carbon, respectively. The Pd/TiO2@N-C catalyst is very active and shows excellent stability towards hydrogenation of vanillin to 2-methoxy-4-methylphenol using formic acid as hydrogen source. This activity can be attributed to a synergistic effect between the Pd/TiO2 (a catalyst for dehydrogenation of formic acid) and Pd/N-C (a catalyst for hydrogenation of vanillin) sites. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. 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.

  7. 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

  8. TRITIUM UNCERTAINTY ANALYSIS FOR SURFACE WATER SAMPLES AT THE SAVANNAH RIVER SITE

    Energy Technology Data Exchange (ETDEWEB)

    Atkinson, R.

    2012-07-31

    Radiochemical analyses of surface water samples, in the framework of Environmental Monitoring, have associated uncertainties for the radioisotopic results reported. These uncertainty analyses pertain to the tritium results from surface water samples collected at five locations on the Savannah River near the U.S. Department of Energy's Savannah River Site (SRS). Uncertainties can result from the field-sampling routine, can be incurred during transport due to the physical properties of the sample, from equipment limitations, and from the measurement instrumentation used. The uncertainty reported by the SRS in their Annual Site Environmental Report currently considers only the counting uncertainty in the measurements, which is the standard reporting protocol for radioanalytical chemistry results. The focus of this work is to provide an overview of all uncertainty components associated with SRS tritium measurements, estimate the total uncertainty according to ISO 17025, and to propose additional experiments to verify some of the estimated uncertainties. The main uncertainty components discovered and investigated in this paper are tritium absorption or desorption in the sample container, HTO/H{sub 2}O isotopic effect during distillation, pipette volume, and tritium standard uncertainty. The goal is to quantify these uncertainties and to establish a combined uncertainty in order to increase the scientific depth of the SRS Annual Site Environmental Report.

  9. 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.

  10. The surface energy balance of a polygonal tundra site in northern Siberia – Part 2: Winter

    Directory of Open Access Journals (Sweden)

    J. Boike

    2011-06-01

    Full Text Available In this study, we present the winter time surface energy balance at a polygonal tundra site in northern Siberia based on independent measurements of the net radiation, the sensible heat flux and the ground heat flux from two winter seasons. The latent heat flux is inferred from measurements of the atmospheric turbulence characteristics and a model approach. The long-wave radiation is found to be the dominant factor in the surface energy balance. The radiative losses are balanced to about 60 % by the ground heat flux and almost 40 % by the sensible heat fluxes, whereas the contribution of the latent heat flux is small. The main controlling factors of the surface energy budget are the snow cover, the cloudiness and the soil temperature gradient. Large spatial differences in the surface energy balance are observed between tundra soils and a small pond. The ground heat flux released at a freezing pond is by a factor of two higher compared to the freezing soil, whereas large differences in net radiation between the pond and soil are only observed at the end of the winter period. Differences in the surface energy balance between the two winter seasons are found to be related to differences in snow depth and cloud cover which strongly affect the temperature evolution and the freeze-up at the investigated pond.

  11. 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.

  12. 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.

  13. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    R. A. Carlson

    2006-04-24

    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.

  15. 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.

  16. 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.

  17. Influence of secondary treatment with CO2 laser irradiation for mitigation site on fused silica surface

    Science.gov (United States)

    Jiang, Yong; Zhou, Qiang; Qiu, Rong; Gao, Xiang; Wang, Hui-Li; Yao, Cai-Zhen; Wang, Jun-Bo; Zhao, Xin; Liu, Chun-Ming; Xiang, Xia; Zu, Xiao-Tao; Yuan, Xiao-Dong; Miao, Xin-Xiang

    2016-10-01

    The ablation debris and raised rim, as well as residual stress and deep crater will be formed during the mitigation of damage site with a CO2 laser irradiation on fused silica surface, which greatly affects the laser damage resistance of optics. In this study, the experimental study combined with numerical simulation is utilized to investigate the effect of the secondary treatment on a mitigated site by CO2 laser irradiation. The results indicate that the ablation debris and the raised rim can be completely eliminated and the depth of crater can be reduced. Notable results show that the residual stress of the mitigation site after treatment will reduce two-thirds of the original stress. Finally, the elimination and the controlling mechanism of secondary treatment on the debris and raised rim, as well as the reasons for changing the profile and stress are analyzed. The results can provide a reference for the optimization treatment of mitigation sites by CO2 laser secondary treatment. Project supported by the National Natural Science Foundation of China (Grant Nos. 61505170, 61505171, and 51535003), the Joint Fund of the National Natural Science Foundation of China, the Chinese Academy of Engineering Physics (Grant No. U1530109), and the China Postdoctoral Science Foundation (Grant No. 2016M592709).

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Surface binding sites (SBSs), mechanism and regulation of enzymes degrading amylopectin and α-limit dextrins

    DEFF Research Database (Denmark)

    Møller, Marie Sofie; Cockburn, Darrell; Nielsen, Jonas W.

    2013-01-01

    Certain enzymes interact with polysaccharides at surface binding sites (SBSs) situated outside of their active sites. SBSs are not easily identified and their function has been discerned in relatively few cases. Starch degradation is a concerted action involving GH13 hydrolases. New insight...... into barley seed α-amylase 1 (AMY1) and limit dextrinase (LD) includes i. kinetics of bi-exponential amylopectin hydrolysis by AMY1, one reaction having low Km (8 μg/mL) and high kcat (57 s-1) and the other high Km (97 μg/mL) and low kcat (23 s-1). β-Cyclodextrin (β-CD) inhibits the first reaction by binding...

  4. 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

  5. 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.

  6. Dynamics and mass accommodation of HCl molecules on sulfuric acid-water surfaces.

    Science.gov (United States)

    Behr, P; Scharfenort, U; Ataya, K; Zellner, R

    2009-09-28

    A molecular beam technique has been used to study the dynamics and mass accommodation of HCl molecules in collision with sulfuric acid-water surfaces. The experiments were performed by directing a nearly mono-energetic beam of HCl molecules onto a continuously renewed liquid film of 54-76 wt% sulfuric acid at temperatures between 213 K and 243 K. Deuterated sulfuric acid was used to separate sticking but non-reactive collisions from those that involved penetration through the phase boundary followed by dissociation and recombination with D+. The results indicate that the mass accommodation of HCl on sulfuric acid-water surfaces decreases sharply with increasing acidity over the concentration range 54-76 wt%. Using the capillary wave theory of mass accommodation this effect is explained by a change of the surface dynamics. Regarding the temperature dependence it is found that the mass accommodation of HCl increases with increasing temperature and is limited by the bulk phase viscosity and driven by the restoring forces of the surface tension. These findings imply that under atmospheric conditions the uptake of HCl from the gas phase depends crucially on the bulk phase parameters of the sulfuric acid aerosol.

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

    Science.gov (United States)

    Cao, Xiaoyong; 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. PMID:28854211

  8. 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.

  9. Vesiculoviral matrix (M) protein occupies nucleic acid binding site at nucleoporin pair (Rae1∙Nup98)

    Energy Technology Data Exchange (ETDEWEB)

    Quan, Beili; Seo, Hyuk-Soo; Blobel, Günter; Ren, Yi [Rockefeller

    2014-07-01

    mRNA export factor 1 (Rae1) and nucleoporin 98 (Nup98) are host cell targets for the matrix (M) protein of vesicular stomatitis virus (VSV). How Rae1 functions in mRNA export and how M protein targets both Rae1 and Nup98 are not understood at the molecular level. To obtain structural insights, we assembled a 1:1:1 complex of M•Rae1•Nup98 and established a crystal structure at 3.15-Å resolution. We found that the M protein contacts the Rae1•Nup98 heterodimer principally by two protrusions projecting from the globular domain of M like a finger and thumb. Both projections clamp to the side of the β-propeller of Rae1, with the finger also contacting Nup98. The most prominent feature of the finger is highly conserved Methionine 51 (Met51) with upstream and downstream acidic residues. The complementary surface on Rae1 displays a deep hydrophobic pocket, into which Met51 fastens like a bolt, and a groove of basic residues on either side, which bond to the acidic residues of the finger. Notably, the M protein competed for in vitro binding of various oligonucleotides to Rae1•Nup98. We localized this competing activity of M to its finger using a synthetic peptide. Collectively, our data suggest that Rae1 serves as a binding protein for the phosphate backbone of any nucleic acid and that the finger of M mimics this ligand. In the context of mRNA export, we propose that a given mRNA segment, after having been deproteinated by helicase, is transiently reproteinated by Nup98-tethered Rae1. We suggest that such repetitive cycles provide cytoplasmic stopover sites required for ratcheting mRNA across the nuclear pore.

  10. Vesiculoviral matrix (M) protein occupies nucleic acid binding site at nucleoporin pair (Rae1 • Nup98).

    Science.gov (United States)

    Quan, Beili; Seo, Hyuk-Soo; Blobel, Günter; Ren, Yi

    2014-06-24

    mRNA export factor 1 (Rae1) and nucleoporin 98 (Nup98) are host cell targets for the matrix (M) protein of vesicular stomatitis virus (VSV). How Rae1 functions in mRNA export and how M protein targets both Rae1 and Nup98 are not understood at the molecular level. To obtain structural insights, we assembled a 1:1:1 complex of M•Rae1•Nup98 and established a crystal structure at 3.15-Å resolution. We found that the M protein contacts the Rae1•Nup98 heterodimer principally by two protrusions projecting from the globular domain of M like a finger and thumb. Both projections clamp to the side of the β-propeller of Rae1, with the finger also contacting Nup98. The most prominent feature of the finger is highly conserved Methionine 51 (Met51) with upstream and downstream acidic residues. The complementary surface on Rae1 displays a deep hydrophobic pocket, into which Met51 fastens like a bolt, and a groove of basic residues on either side, which bond to the acidic residues of the finger. Notably, the M protein competed for in vitro binding of various oligonucleotides to Rae1•Nup98. We localized this competing activity of M to its finger using a synthetic peptide. Collectively, our data suggest that Rae1 serves as a binding protein for the phosphate backbone of any nucleic acid and that the finger of M mimics this ligand. In the context of mRNA export, we propose that a given mRNA segment, after having been deproteinated by helicase, is transiently reproteinated by Nup98-tethered Rae1. We suggest that such repetitive cycles provide cytoplasmic stopover sites required for ratcheting mRNA across the nuclear pore.

  11. Site-selective biofunctionalization of aluminum nitride surfaces using patterned organosilane self-assembled monolayers.

    Science.gov (United States)

    Chiu, Chi-Shun; Lee, Hong-Mao; Gwo, Shangjr

    2010-02-16

    Surface biochemical functionalization of group-III nitride semiconductors has recently attracted much interest because of their biocompatibility, nontoxicity, and long-term chemical stability under demanding physiochemical conditions for chemical and biological sensing. Among III-nitrides, aluminum nitride (AlN) and aluminum gallium nitride (AlGaN) are particularly important because they are often used as the sensing surfaces for sensors based on field-effect transistor or surface acoustic wave (SAW) sensor structures. To demonstrate the possibility of site-selective biofunctionalization on AlN surfaces, we have fabricated two-dimensional antibody micropatterns on AlN surfaces by using patterned self-assembled monolayer (SAM) templates. Patterned SAM templates are composed of two types of organosilane molecules terminated with different functional groups (amino and methyl), which were fabricated on AlN/sapphire substrates by combining photolithography, lift-off process, and self-assembly technique. Because the patterned SAM templates have different surface properties on the same surface, clear imaging contrast of SAM micropatterns can be observed by field-emission scanning electron microscopy (FE-SEM) operating at a low accelerating voltage in the range of 0.5-1.5 kV. Furthermore, the contrast in surface potential of the binary SAM microstructures was confirmed by selective adsorption of negatively charged colloidal gold nanoparticles (AuNPs). The immobilization of AuNPs was limited on the positively charged amino-terminated regions, while they were scarcely found on the surface regions terminated by methyl groups. In this work, selective immobilization of green fluorescent protein (GFP) antibodies was demonstrated by the specific protein binding of enhanced GFP (EGFP) labeling. The observed strong fluorescent signal from antibody functionalized regions on the SAM-patterned AlN surface indicates the retained biological activity of specific molecular recognition

  12. 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

  13. 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.

  14. 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

  15. Calculating site-specific evolutionary rates at the amino-acid or codon level yields similar rate estimates

    Directory of Open Access Journals (Sweden)

    Dariya K. Sydykova

    2017-05-01

    Full Text Available Site-specific evolutionary rates can be estimated from codon sequences or from amino-acid sequences. For codon sequences, the most popular methods use some variation of the dN∕dS ratio. For amino-acid sequences, one widely-used method is called Rate4Site, and it assigns a relative conservation score to each site in an alignment. How site-wise dN∕dS values relate to Rate4Site scores is not known. Here we elucidate the relationship between these two rate measurements. We simulate sequences with known dN∕dS, using either dN∕dS models or mutation–selection models for simulation. We then infer Rate4Site scores on the simulated alignments, and we compare those scores to either true or inferred dN∕dS values on the same alignments. We find that Rate4Site scores generally correlate well with true dN∕dS, and the correlation strengths increase in alignments with greater sequence divergence and more taxa. Moreover, Rate4Site scores correlate very well with inferred (as opposed to true dN∕dS values, even for small alignments with little divergence. Finally, we verify this relationship between Rate4Site and dN∕dS in a variety of empirical datasets. We conclude that codon-level and amino-acid-level analysis frameworks are directly comparable and yield very similar inferences.

  16. 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.

  17. 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.

  18. 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 was a cat......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...

  19. Smoothed Bootstrap Aggregation for Assessing Selection Pressure at Amino Acid Sites.

    Science.gov (United States)

    Mingrone, Joseph; Susko, Edward; Bielawski, Joseph

    2016-11-01

    To detect positive selection at individual amino acid sites, most methods use an empirical Bayes approach. After parameters of a Markov process of codon evolution are estimated via maximum likelihood, they are passed to Bayes formula to compute the posterior probability that a site evolved under positive selection. A difficulty with this approach is that parameter estimates with large errors can negatively impact Bayesian classification. By assigning priors to some parameters, Bayes Empirical Bayes (BEB) mitigates this problem. However, as implemented, it imposes uniform priors, which causes it to be overly conservative in some cases. When standard regularity conditions are not met and parameter estimates are unstable, inference, even under BEB, can be negatively impacted. We present an alternative to BEB called smoothed bootstrap aggregation (SBA), which bootstraps site patterns from an alignment of protein coding DNA sequences to accommodate the uncertainty in the parameter estimates. We show that deriving the correction for parameter uncertainty from the data in hand, in combination with kernel smoothing techniques, improves site specific inference of positive selection. We compare BEB to SBA by simulation and real data analysis. Simulation results show that SBA balances accuracy and power at least as well as BEB, and when parameter estimates are unstable, the performance gap between BEB and SBA can widen in favor of SBA. SBA is applicable to a wide variety of other inference problems in molecular evolution. © The Author 2016. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  20. 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.

  1. 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.

  2. 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.

  3. Modeling and optimization of ammonia treatment by acidic biochar using response surface methodology

    OpenAIRE

    Narong Chaisongkroh; Juntima Chungsiriporn; Charun Bunyakan

    2012-01-01

    Emission of ammonia (NH3) contaminated waste air to the atmosphere without treatment has affected humans andenvironment. Eliminating NH3 in waste air emitted from industries is considered an environmental requisite. In this study,optimization of NH3 adsorption time using acidic rubber wood biochar (RWBs) impregnated with sulfuric acid (H2SO4) wasinvestigated. The central composite design (CCD) in response surface methodology (RSM) by the Design Expert softwarewas used for designing the experi...

  4. INORGANIC PLUME DELINEATION USING SURFACE HIGH RESOLUTION ELECTRICAL RESISTIVITY AT THE BC CRIBS & TRENCHES SITE HANFORD

    Energy Technology Data Exchange (ETDEWEB)

    BENECKE, M.W.

    2007-05-29

    A surface resistivity survey was conducted on the Hanford Site over a waste disposal trench that received a large volume of liquid inorganic waste. The objective of the survey was to map the extent of the plume that resulted from the disposal activities approximately 50 years earlier. The survey included six resistivity transects of at least 200m, where each transect provided two-dimensional profile information of subsurface electrical properties. The results of the survey indicated that a low resistivity plume resides at a depth of approximately 25-44 m below ground surface. The target depth was calibrated with borehole data of pore-water electrical conductivity. Due to the high correlation of the pore-water electrical conductivity to nitrate concentration and the high correlation of measured apparent resistivity to pore-water electrical conductivity, inferences were made that proposed the spatial distribution of the apparent resistivity was due to the distribution of nitrate. Therefore, apparent resistivities were related to nitrate, which was subsequently rendered in three dimensions to show that the nitrate likely did not reach the water table and the bounds of the highest concentrations are directly beneath the collection of waste sites.

  5. 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.'

  6. Sulfur-H{sub z}(CH{sub x}){sub y}(z = 0,1) functionalized metal oxide nanostructure decorated interfaces: Evidence of Lewis base and Brönsted acid sites – Influence on chemical sensing

    Energy Technology Data Exchange (ETDEWEB)

    Laminack, William; Baker, Caitlin [Department of Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Gole, James, E-mail: james.gole@physics.gatech.edu [Department of Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Department of Mechanical Engineering, Georgia Tech, Atlanta, GA 30332 (United States)

    2015-06-15

    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{sub 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{sub 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{sub 3} at room temperature, corresponding to the thiol and sulfide treated nanostructures of the metal oxides TiO{sub 2}, SnO{sub x}, Ni{sub x}O, Cu{sub x}O, and Au{sub 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{sub x}){sub y} groups. In contrast, treatment with basic Et{sub 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

  7. Effect of Surface Modification by Oleic Acid on Physical Properties of Cellulose Nanofibers

    Directory of Open Access Journals (Sweden)

    Hadi Almasi

    2013-08-01

    Full Text Available Oleic acid was used as a hydrophobic agent to modify cellulose nanofiber (CNF and the reaction time and fatty acid content were tested in relation to the hydrophilic properties of the products as well as the physicochemical properties of CNF. It was found that the degree of substitution (DS increased by extending the reaction time though the fatty acid content had no effect on hydrophobicity of CNF. The success of the esterification reaction was confirmed by Fourier transform infrared spectroscopy. Higher degree of substitution led to increased contact angle of CNF surfaces with water, which indicated the increased surface hydrophobicity of modified CNF. The X-ray diffraction analyses showed a lowering trend in crystallinity index and crystallite size with increases in DS value. Surface modification changed the thermal stability of CNF by lowering the degradation temperature from 290.8°C for unmodified cellulose to 195.4°C for highly esterified cellulose. Scanning electron microscopy micrographs revealed that after esterification of CNF with oleic acid, its filamentous shape was preserved. As a result, although the surface modification of CNF by fatty acid increased its hydrophobicity and its ability to mix with non-polar polymers, but it changed CNF physicochemical characteristics and weakened its functional properties.

  8. A review of the different techniques for solid surface acid-base characterization.

    Science.gov (United States)

    Sun, Chenhang; Berg, John C

    2003-09-18

    In this work, various techniques for solid surface acid-base (AB) characterization are reviewed. Different techniques employ different scales to rank acid-base properties. Based on the results from literature and the authors' own investigations for mineral oxides, these scales are compared. The comparison shows that Isoelectric Point (IEP), the most commonly used AB scale, is not a description of the absolute basicity or acidity of a surface, but a description of their relative strength. That is, a high IEP surface shows more basic functionality comparing with its acidic functionality, whereas a low IEP surface shows less basic functionality comparing with its acidic functionality. The choice of technique and scale for AB characterization depends on the specific application. For the cases in which the overall AB property is of interest, IEP (by electrokinetic titration) and H(0,max) (by indicator dye adsorption) are appropriate. For the cases in which the absolute AB property is of interest such as in the study of adhesion, it is more pertinent to use chemical shift (by XPS) and the heat of adsorption of probe gases (by calorimetry or IGC).

  9. 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).

  10. 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

  11. 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

  12. 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.

  13. Surface carbon transformations at a site of active continental serpentinization: the Tablelands, Newfoundland, Canada

    Science.gov (United States)

    Rietze, A.; Szponar, N.; Lang, S. Q.; Kohl, L.; Morrill, P. L.

    2013-12-01

    The Tablelands in Newfoundland, Canada contain terrestrial peridotite-hosted groundwater springs associated with serpentinization. These springs act as windows into subsurface systems and provide insight into their biogeochemistry. However, at sites where ultra-basic water pools and mixes with overland flow the reactions in the pools must be considered when trying to source organic compounds. We will present data from a pool (WHC2) located in the Tablelands to determine the biogeochemical carbon transformations at this mixing site. The ultra-basic, reducing groundwater springs had higher concentrations of alkanes (C1-C4) and organic acids (acetate and formate) than the overland flow, suggesting that these organics originated from the groundwater source. A two component mixing model was developed to predict what the concentrations of alkanes and organic acids would be in the WHC2 pool based on physical mixing of groundwater and overland flow. Acetate and C2-C4 alkane concentrations were fairly well predicted by the mixing model, suggesting little consumption or production of this organic acid and these alkanes in the pool. However, methane concentrations were under predicted by the model at two sampling points in the pool, suggesting production of methane at these sites. At the same two sampling locations formate concentrations were over predicted by the model, suggesting that formate was being consumed in the pool. The water at these sampling times was highly reducing; therefore oxidation of formate was not likely responsible for the consumption of formate. Organic acid fermentation using formate is one possible sink for formate and source for methane. However, the genomic data from the site has shown little evidence for microbial methanogenesis (1). Geochemical measurements of the carbon in the pool can help elucidate the most dominant source of methane. On a Bernard plot (C1/C2+ vs. δ13CCH4 (‰)) the alkanes measured at the springs plot in the thermogenic

  14. 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 population and plant growth.

  15. Near-surface wave velocity structure of Faial (Azores - Portugal) Island for site effect studies

    Science.gov (United States)

    Borges, José; Neves, Samuel; Caldeira, Bento; Bezzeghoud, Mourad; Carvalho, João; Carvalho, Alexandra

    2015-04-01

    Throughout history, the life of the Azorean people has been marked by earthquakes that have had different effects depending on their proximity and magnitude. This seismic activity, which may have volcanic or tectonic origins, has affected the population of these islands by destroying infrastructure and claiming lives. The social and economic impacts of these phenomena are enormous. The last significant event affecting the Azores (Portugal) was the July 1998 Mw=6.2 earthquake causing major destruction affecting more than 5000 people, causing 8 deaths, 150 persons injured and 1500 homeless. Ground motion simulations are mainly based on source characteristics and are heavily dependent on the medium, which is still poorly understood. Subsurface soil condition can amplify the seismic waves, so, for seismic response analysis, it is necessary to know the shallow soil properties and its spatial variability. For this purpose, we applied P and S-wave refraction, Multichannel Analysis of Surface Waves (MASW) to characterize shear wave velocity at different sites in the Faial Island, in particular, in sites where already occurred amplification. Ambient vibrations can also be used to estimate physical properties of the shallower geological formations. With this goal, the obtained velocity models were confirmed by comparison between real H/V curves with synthetic ones. We concluded that the anomalous intensities observed in some sites are strongly related to thick layers of soft sediments of pyroclastic deposits produced by old volcanic eruptions occurred in the Faial Island.

  16. Acidity-Facilitated Mobilization of Surface Clay Colloid from Natural Sand Medium

    Science.gov (United States)

    Huang, Y.; Wang, C.; Mohanty, B. P.

    2010-12-01

    Colloid mobilization and migration in a soil system has attracted increasing scrutiny for its role in facilitating colloid-borne transport of contaminants in the environments. In many previous studies, pH was evoked as a major factor in mobilizing surface colloids through inducing favorable surface charge and electrostatic conditions. The possible direct role of acidity with H+ as a chemical agent has remained largely obscured behind the indirect role of pH. In this study, we demonstrated through column flow-through tests that cyclical elution of natural sand media with weak acid and base solutions can greatly facilitate detachment and transport of surface clay colloids. We found that while elevating pH to an alkaline condition helped release the loosely-attached surface clays, a pretreatment with H+ could facilitate the mobilization of chemically-bonded clay colloids through lysing of labile Ca and Mg ions. A quantitative relation was observed that 1 mmol H+ could lyse about 0.5 mmol Ca2+ and Mg2+ and subsequently resulted in a release of about 1,200 mg clay during base elution when repulsive force between particles dominated. Natural organic acids such as citric acid and acetic acid in environment-relevant low concentrations (pH>5.0) were as effective as HCl with a stronger acidic condition. The small mass ratio of Ca and Mg over colloid released and the nature of weak acid used suggest that the mobilization was less likely due to dissolution of cement casing than lysing of labile interstitial Ca and Mg by H+, which severed Ca and Mg bridging bonds between particles. Natural acidity is generated in abundance from various bio- and geochemical processes; e.g., many plants produce citric acid through citric acid cycle metabolism; biodegradation of dead organic matter forms humic acids. We postulate that natural proton dynamics in tendon with pH oscillation accompanied with various soil biogeochemical processes could play a major role in subsurface clay transport

  17. In vitro lead bioaccessibility and phosphate leaching as affected by surface application of phosphoric acid in lead-contaminated soil.

    Science.gov (United States)

    Yang, J; Mosby, D E; Casteel, S W; Blanchar, R W

    2002-11-01

    Phosphate treatment of lead-contaminated soil may be a cost-effective remedial alternative for in situ stabilizing soil Pb and reducing Pb toxicology to human. The leaching behaviors of the P added to soil surface and the effect on subsurface Pb bioaccessibility must be addressed for this remedial technology to be acceptable. A smelter-contaminated soil containing an average of 2,670 mg Pb kg(-1), collected from the Jasper County Superfund Site located in Jasper County, Missouri, was surface treated with 10 g P kg(-1) as phosphoric acid (H(3)PO(4)). Following a simulated column leaching and 90-day treatment of field plots, respectively, bioaccessible Pb, P, and pH in soil profile were measured. Surface treatment using H(3)PO(4) effectively stabilized soil Pb and reduced leachable Pb and the bioaccessibility. Phosphate leached into deeper profile significantly lowered bioaccessible Pb in subsurface. Reduction of Pb bioaccessibility increased as a linear function of increasing soil P. Although surface H(3)PO(4) treatment resulted in an enhanced leaching of added P and may increase potential risk of surface and groundwater pollution, the P leaching under field conditions is very limited. Lime addition following the treatment may reduce the leachability of added P and further immobilize soil Pb.

  18. Surface and thermal properties of collagen/hyaluronic acid blends containing chitosan.

    Science.gov (United States)

    Lewandowska, Katarzyna; Sionkowska, Alina; Grabska, Sylwia; Kaczmarek, Beata

    2016-11-01

    The structure and surface properties of binary and ternary blends containing collagen (Coll), hyaluronic acid (HA) and chitosan (Ch) were investigated by contact angle measurements, thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and atomic force microscopy (AFM). Thin films of Coll/HA and Coll/HA/Ch blends have been formed by casting methods from aqueous acid solutions. The surface roughness, hydrophobic/hydrophilic character and thermal stability of Coll/HA were changed after addition of chitosan. Thermal stability of binary blends increase upon the addition of chitosan. The results of contact angle and the surface free energy revealed that hyaluronic acid films are more polar than collagen and chitosan films. The surface energy and its polar and dispersive components of binary and ternary blends were calculated and more hydrophilic films were produced by the addition of HA and chitosan, also resulting in more thermally stabile materials. These results demonstrate that collagen interacts with hyaluronic acid and chitosan changing the surface properties of polymer films. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. DNA Adsorption to and Elution from Silica Surfaces: Influence of Amino Acid Buffers

    Science.gov (United States)

    Vandeventer, Peter E.; Mejia, Jorge; Nadim, Ali; Johal, Malkiat S.; Niemz, Angelika

    2014-01-01

    Solid phase extraction and purification of DNA from complex samples typically requires chaotropic salts that can inhibit downstream polymerase amplification if carried into the elution buffer. Amino acid buffers may serve as a more compatible alternative for modulating the interaction between DNA and silica surfaces. We characterized DNA binding to silica surfaces, facilitated by representative amino acid buffers, and the subsequent elution of DNA from the silica surfaces. Through bulk depletion experiments, we found that more DNA adsorbs to silica particles out of positively compared to negatively charged amino acid buffers. Additionally, the type of the silica surface greatly influences the amount of DNA adsorbed, and the final elution yield. Quartz crystal microbalance experiments with dissipation monitoring (QCM-D) revealed multiphasic DNA adsorption out of stronger adsorbing conditions such as arginine, glycine, and glutamine, with DNA more rigidly bound during the early stages of the adsorption process. The DNA film adsorbed out of glutamate was more flexible and uniform throughout the adsorption process. QCM-D characterization of DNA elution from the silica surface indicates an uptake in water mass during the initial stage of DNA elution for the stronger adsorbing conditions, which suggests that for these conditions the DNA film is partly dehydrated during the prior adsorption process. Overall, several positively charged and polar neutral amino acid buffers show promise as an alternative to methods based on chaotropic salts for solid phase DNA extraction. PMID:23931415

  20. 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.

  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. 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.

  3. Message development for surface markers at the Hanford Radwaste Disposal sites

    Energy Technology Data Exchange (ETDEWEB)

    Kaplan, M.F.

    1984-12-31

    At the Hanford Reservation in Washington, there are sites which received liquid and solid transuranic wastes from the late 1940`s until 1970. Rockwell Hanford Operations (Rockwell) is investigating the feasibility of several options for the permanent disposal of these wastes. One option is to stabilize the wastes in their present locations and to add barriers to minimize water infiltration and root penetration into the wastes. This report forms part of the project to develop a marking system for transuranic wastes on the Hanford Reservation. The focus of this report is the development of the message system to appear on the surface markers. A logical framework is developed to deduce what is required by the message system. Alternatives for each message component are evaluated and justification is provided for the choice of each component. The components are then laid out on the surface marker to provide a legible, comprehensible message system. The surface markers are tall, standing monoliths which ring the perimeter of each disposal area. Based on the logical framework, it is recommended that three domains of representation -- symbols, pictures, and language -- be used in the message system. The warning symbol chosen for the message system is the radiation trefoil. Two other options were considered, including the warning symbol developed by the Human Interference Task Force for a high-level waste repository. The trefoil was preferred because of the widespread usage and international acceptance which is already enjoys.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. iNitro-Tyr: prediction of nitrotyrosine sites in proteins with general pseudo amino acid composition.

    Directory of Open Access Journals (Sweden)

    Yan Xu

    Full Text Available Nitrotyrosine is one of the post-translational modifications (PTMs in proteins that occurs when their tyrosine residue is nitrated. Compared with healthy people, a remarkably increased level of nitrotyrosine is detected in those suffering from rheumatoid arthritis, septic shock, and coeliac disease. Given an uncharacterized protein sequence that contains many tyrosine residues, which one of them can be nitrated and which one cannot? This is a challenging problem, not only directly related to in-depth understanding the PTM's mechanism but also to the nitrotyrosine-based drug development. Particularly, with the avalanche of protein sequences generated in the postgenomic age, it is highly desired to develop a high throughput tool in this regard. Here, a new predictor called "iNitro-Tyr" was developed by incorporating the position-specific dipeptide propensity into the general pseudo amino acid composition for discriminating the nitrotyrosine sites from non-nitrotyrosine sites in proteins. It was demonstrated via the rigorous jackknife tests that the new predictor not only can yield higher success rate but also is much more stable and less noisy. A web-server for iNitro-Tyr is accessible to the public at http://app.aporc.org/iNitro-Tyr/. For the convenience of most experimental scientists, we have further provided a protocol of step-by-step guide, by which users can easily get their desired results without the need to follow the complicated mathematics that were presented in this paper just for the integrity of its development process. It has not escaped our notice that the approach presented here can be also used to deal with the other PTM sites in proteins.

  11. 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.

  12. 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 ...

  13. 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.

  14. 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.

  15. 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.

  16. Gold Nanoplates for a Localized Surface Plasmon Resonance-Based Boric Acid Sensor

    Directory of Open Access Journals (Sweden)

    Marlia Morsin

    2017-04-01

    Full Text Available Localized surface plasmon resonance (LSPR properties of metallic nanostructures, such as gold, are very sensitive to the dielectric environment of the material, which can simply be adjusted by changing its shape and size through modification of the synthesizing process. Thus, these unique properties are very promising, particularly for the detection of various types of chemicals, for example boric acid which is a non-permitted preservative employed in food preparations. For the sensing material, gold (Au nanoplates with a variety of shapes, i.e., triangular, hexagonal, truncated pentagon and flat rod, were prepared using a seed-mediated growth method. The yield of Au nanoplates was estimated to be ca. 63% over all areas of the sensing material. The nanoplates produced two absorption bands, i.e., the transverse surface plasmon resonance (t-SPR and the longitudinal surface plasmon resonance (l-SPR at 545 nm and 710 nm, respectively. In the sensing study, these two bands were used to examine the response of gold nanoplates to the presence of boric acid in an aqueous environment. In a typical process, when the sample is immersed into an aqueous solution containing boric acid, these two bands may change their intensity and peak centers as a result of the interaction between the boric acid and the gold nanoplates. The changes in the intensities and peak positions of t-SPR and l-SPR linearly correlated with the change in the boric acid concentration in the solution.

  17. 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...

  18. Optimization of dextran syntesis and acidic hydrolisis by surface response analysis

    Directory of Open Access Journals (Sweden)

    GUIMARÃES D.P.

    1999-01-01

    Full Text Available The influence of some variables in the in vitro synthesis of dextran by dextransucrase from Leusconostoc mesenteroides NRRL B512F, as well as in the acidic hydrolysis of the dextran produced, were studied in order to maximize the production of clinical dextran (dextran 70 and dextran 40. The experiments were conducted using a factorial design and surface response analysis.

  19. 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.

  20. 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.

  1. Effect of fluoride pretreatment on primary and permanent tooth surfaces by acid-etching.

    Science.gov (United States)

    Choi, Samjin; Cheong, Youjin; Lee, Gi-Ja; Park, Hun-Kuk

    2010-01-01

    This study observed the effect of fluoride application on a 37% phosphoric acid etching for 20 s of the enamel surfaces of primary and permanent teeth based on a clinical protocol employed in dental hospitals, through atomic force microscopy and scanning electron microscopy. Enamel samples were prepared from 84 exfoliated and noncarious teeth. Primary (groups 1-4) and permanent (groups 5-8) tooth samples were assigned randomly to one of eight groups based on the timing of acid-etching with 37% phosphoric acid after an acidulated phosphate fluoride (APF) treatment. Groups 1 and 5 received no fluoride application. Groups 2-4 and 6-8 were pretreated with fluoride and received acid-etching 2 weeks later (groups 2 and 6), 1 week later (groups 3 and 7), and immediately (groups 4 and 8). The acid-etching process led to a significant increase in roughness (pprimary and permanent tooth surface roughness (p<0.005). An acid-etching procedure 2 weeks after performing an APF pretreatment might be recommended to obtain the maximum enamel adhesion of a resin composite. Copyright © 2010 Wiley Periodicals, Inc.

  2. The development of permanent isolation surface barriers: Hanford Site, Richland, Washington, U.S.A.

    Energy Technology Data Exchange (ETDEWEB)

    Wing, N.R. [Westinghouse Hanford Co., Richland, WA (United States); Gee, G.W. [Pacific Northwest Lab., Richland, WA (United States)

    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.

  3. 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

  4. 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).

  5. 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)

  6. 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.

  7. Collagen fibril surface displays a constellation of sites capable of promoting fibril assembly, stability, and hemostasis

    Energy Technology Data Exchange (ETDEWEB)

    Orgel, J.P.; Antipova, O.; Sagi, I.; Bitler, A.; Qiu, D.; Wang, R.; Xu, Y.; San Antonio, J.D. (IIT)

    2011-12-14

    Fibrillar collagens form the structural basis of organs and tissues including the vasculature, bone, and tendon. They are also dynamic, organizational scaffolds that present binding and recognition sites for ligands, cells, and platelets. We interpret recently published X-ray diffraction findings and use atomic force microscopy data to illustrate the significance of new insights into the functional organization of the collagen fibril. These data indicate that collagen's most crucial functional domains localize primarily to the overlap region, comprising a constellation of sites we call the 'master control region.' Moreover, the collagen's most exposed aspect contains its most stable part - the C-terminal region that controls collagen assembly, cross-linking, and blood clotting. Hidden beneath the fibril surface exists a constellation of 'cryptic' sequences poised to promote hemostasis and cell - collagen interactions in tissue injury and regeneration. These findings begin to address several important, and previously unresolved, questions: How functional domains are organized in the fibril, which domains are accessible, and which require proteolysis or structural trauma to become exposed? Here we speculate as to how collagen fibrillar organization impacts molecular processes relating to tissue growth, development, and repair.

  8. 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)

  9. 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

  10. 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

  11. Hanford Site Long-term Surface Barrier Development Program: Fiscal year 1994 highlights

    Energy Technology Data Exchange (ETDEWEB)

    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.

  12. 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.

  13. Improvement of β-TCP/PLLA biodegradable material by surface modification with stearic acid.

    Science.gov (United States)

    Ma, Fengcang; Chen, Sai; Liu, Ping; Geng, Fang; Li, Wei; Liu, Xinkuan; He, Daihua; Pan, Deng

    2016-05-01

    Poly-L-lactide (PLLA) is a biodegradable polymer and used widely. Incorporation of beta tricalcium phosphate (β-TCP) into PLLA can enhance its osteoinductive properties. But the interfacial layer between β-TCP particles with PLLA matrix is easy to be destroyed due to inferior interfacial compatibility of the organic/inorganic material. In this work, a method of β-TCP surface modification with stearic acid was investigated to improve the β-TCP/PLLA biomaterial. The effects of surface modification on the β-TCP were investigated by FTIR, XPS, TGA and CA. It was found that the stearic acid reacted with β-TCP and oxhydryl was formed during the surface modification. Hydrophilicity of untreated or modified β-TCP/PLLA composite was increased by the addition of 10 wt.% β-TCP, but it decreased as the addition amount increased from 10 wt.% to 20 wt.%. Two models were suggested to describe the effect of β-TCP concentration on CA of the composites. Mechanical properties of β-TCP/PLLA composites were tested by bending and tensile tests. Fractures of the composites after mechanical test were observed by SEM. It was found that surface modification with stearic acid improved bending and tensile strengths of the β-TCP/PLLA composites obviously. The SEM results indicated that surface modification decreased the probability of interface debonding between fillers and matrix under load. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. 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.

  15. Acid Gas Adsorption on Metal-Organic Framework Nanosheets as a Model of an "All-Surface" Material.

    Science.gov (United States)

    Howe, Joshua D; Liu, Yang; Flores, Luis; Dixon, David A; Sholl, David S

    2017-03-14

    To establish a model of metal-organic framework (MOF) surfaces and build an understanding of surface-specific ligand adsorption phenomena in MOFs, we present a computational study exploring multiple models of a series of MOF-2 nanosheet materials, "M-BDCs", with M = Zn, Cu, and Co and BDC = benzene-1,4-dicarboxylate. We study and assess the appropriateness of a series of models ranging from small clusters (18 atoms) to fully periodic sheet models. We additionally study the interactions of these models with acid gases and energy-relevant small molecules (CO, CO 2 , H 2 O, SO 2 , NO 2 , and H 2 S). We employ computational methods ranging from DFT with various exchange-correlation functionals to perturbative and coupled-cluster methods. For these systems, we present binding energies and enthalpies with the various ligands studied as well as IR frequency shifts for the normal modes of these ligands upon complexation with the open-metal sites of these materials. Our calculations lead to an understanding of phenomena unique to MOF surfaces and the importance of the periodicity in these materials in capturing surface-specific adsorption behaviors.

  16. Atmospheric oxalic acid and related secondary organic aerosols in Qinghai Lake, a continental background site in Tibet Plateau

    Science.gov (United States)

    Meng, Jingjing; Wang, Gehui; Li, Jianjun; Cheng, Chunlei; Cao, Junji

    2013-11-01

    Summertime PM2.5 aerosols collected from Qinghai Lake (3200 m a.s.l.), a remote continental site in the northeastern part of Tibetan Plateau, were analyzed for dicarboxylic acids (C2-C11), ketocarboxylic acids and α-dicarbonyals. Oxalic acid (C2) is the dominant dicarboxylic acid in the samples, followed by malonic, succinic and azelaic acids. Total dicarboxylic acids (231 ± 119 ng m-3), ketocarboxylic acids (8.4 ± 4.3 ng m-3), and α-dicarbonyls (2.7 ± 2.1 ng m-3) at the Tibetan background site are 2-5 times less than those detected in lowland areas such as 14 Chinese megacities. Compared to those in other urban and marine areas enhancements in relative abundances of C2/total diacids and diacids-C/WSOC of the PM2.5 samples suggest that organic aerosols in the region are more oxidized due to strong solar radiation. Molecular compositions and air mass trajectories demonstrate that the above secondary organic aerosols in the Qinghai Lake atmosphere are largely derived from long-range transport. Ratios of oxalic acid, glyoxal and methylglyoxal to levoglucosan in PM2.5 aerosols emitted from household burning of yak dung, a major energy source for Tibetan in the region, are 30-400 times lower than those in the ambient air, which further indicates that primary emission from biomass burning is a negligible source of atmospheric oxalic acid and α-dicarbonyls at this background site.

  17. Properties of the Surface Layer of Thin Films of Polyaniline Doped With Phosphoric Acid

    Directory of Open Access Journals (Sweden)

    Almedina Modrić-Šahbazović

    2016-08-01

    Full Text Available This study deals with estimation of the surface free energy of thin films of polyaniline doped with phosphoric acid, by measuring contact angles. Synthesis of polyaniline (PANI with phosphoric acid (PA was performed at room temperature of 20°C, and at 0°C. Thin films were obtained by means of a spin coater, applying the synthetized mixture on a glass substrate. By measuring the contact angle, first between ethylene glycol and a film and then between distilled water and a film, we thus calculated the polar, dispersion and total surface free energy. It was proved and demonstrated that the surface free energy depends on the temperature at which the solution (from which the thin films are obtained later was synthesized.

  18. Co-deposition of tannic acid and diethlyenetriamine for surface hydrophilization of hydrophobic polymer membranes

    Science.gov (United States)

    Zhang, Xi; Ren, Peng-Fei; Yang, Hao-Cheng; Wan, Ling-Shu; Xu, Zhi-Kang

    2016-01-01

    We report a novel approach toward the surface modification of commercial polymer membranes via co-deposition of tannic acid (TA) and diethlyenetriamine (DETA). Particle-free, superhydrophilic, and almost colorless coatings are fabricated on the surfaces of polypropylene, poly(vinylidene fluoride), and poly(tetrafluoroethlene) microfiltration membranes. Cross-linking between TA and DETA plays a crucial role during the co-deposition process, as well as the adhesion of TA on the hydrophobic membrane surfaces. Both the surface wettability and water permeation flux are dramatically improved for the studied membranes after the co-deposition. The results indicate that co-deposition of TA and DETA is great potential for the surface modification of hydrophobic membranes.

  19. 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.

  20. Enhanced lubrication on tissue and biomaterial surfaces through peptide-mediated binding of hyaluronic acid

    Science.gov (United States)

    Singh, Anirudha; Corvelli, Michael; Unterman, Shimon A.; Wepasnick, Kevin A.; McDonnell, Peter; Elisseeff, Jennifer H.

    2014-10-01

    Lubrication is key for the efficient function of devices and tissues with moving surfaces, such as articulating joints, ocular surfaces and the lungs. Indeed, lubrication dysfunction leads to increased friction and degeneration of these systems. Here, we present a polymer-peptide surface coating platform to non-covalently bind hyaluronic acid (HA), a natural lubricant in the body. Tissue surfaces treated with the HA-binding system exhibited higher lubricity values, and in vivo were able to retain HA in the articular joint and to bind ocular tissue surfaces. Biomaterials-mediated strategies that locally bind and concentrate HA could provide physical and biological benefits when used to treat tissue-lubricating dysfunction and to coat medical devices.

  1. 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.

  2. Enhanced lubrication on tissue and biomaterial surfaces through peptide-mediated binding of hyaluronic acid.

    Science.gov (United States)

    Singh, Anirudha; Corvelli, Michael; Unterman, Shimon A; Wepasnick, Kevin A; McDonnell, Peter; Elisseeff, Jennifer H

    2014-10-01

    Lubrication is key for the efficient function of devices and tissues with moving surfaces, such as articulating joints, ocular surfaces and the lungs. Indeed, lubrication dysfunction leads to increased friction and degeneration of these systems. Here, we present a polymer-peptide surface coating platform to non-covalently bind hyaluronic acid (HA), a natural lubricant in the body. Tissue surfaces treated with the HA-binding system exhibited higher lubricity values, and in vivo were able to retain HA in the articular joint and to bind ocular tissue surfaces. Biomaterials-mediated strategies that locally bind and concentrate HA could provide physical and biological benefits when used to treat tissue-lubricating dysfunction and to coat medical devices.

  3. 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

  4. 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.

  5. 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.

  6. Near-surface test facility. Phase I. Geologic site characterization report

    Energy Technology Data Exchange (ETDEWEB)

    Moak, D.J.; Wintczak, T.M.

    1980-08-01

    The report is a description of the geology and characterization of the rock mass of the area in which the Phase I qualification tests at the Near-Surface Test Facility (NSTF) are being performed. The NSTF is located on Gable Mountain within the Hanford Site near Richland, Washington. It is located in the entablature of the Pomona Member, an upper flow in the Columbia River Basalt Group, and is approximately 150 feet (47.5 meters) below the surface. Core logging from the instrument boreholes coupled with joint mapping, statistics, and other test data provided the basis for a detailed characterization of the 16-foot x 20-foot x 28-foot (5-meter x 6-meter x 9-meter) rock masses surrounding Full-Scale Heater Tests No. 1 and No. 2. The Pomona entablature contains three joint sets delineated by their degree of dip, each with apertures averaging 0.25 millimeter and having no preferred strike orientation. Although joint frequencies in the study area exceed 4 joints per foot (13 per meter), the rock-mass classification rating is good.

  7. 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.

  8. Surface erosion at disturbed alpine sites: effects of vegetation cover and plant diversity

    Science.gov (United States)

    Martin, C.; Pohl, M.; Alewell, C.; Körner, C.; Buttler, A.; Rixen, C.

    2009-04-01

    The relationship between plant diversity and soil stability in disturbed alpine terrain is poorly studied. In this paper, we investigated the influence of plant cover and diversity on water run-off and sediment yield on ski slopes. Rainfall simulations were conducted on a micro-scale (25 x 25 cm) to be able to replicate plots with different degrees of vegetation cover. We selected plots with 10%, 30% and 60% of vegetation cover containing different combinations of plant diversities: (i) grass, (ii) herb, (iii) moss/ lichen, and all combinations of these plant groups. Each combination was replicated five times with an applied rain intensity of 375 ml min-1 for about 5 minutes. As could be expected, percent vegetation cover had a large effect on surface erosion: sediment yield decreased with increasing vegetation cover. However, within the plots with 60% cover, sediment yield was lower at higher plant diversity and functional group diversity. The findings of this study support the view that beside the re-establishment of a closed vegetation cover, plant diversity is a relevant factor to reduce surface erosion at disturbed sites in alpine ecosystems.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Effect of soil erosion on the long-term stability of FUSRAP near-surface waste-burial sites

    Energy Technology Data Exchange (ETDEWEB)

    Knight, M.J.

    1983-04-01

    Decontamination of FUSRAP sites could result in the generation of large volumes (in excess of 400,000 m/sup 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.

  15. 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

  16. 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

  17. 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

  18. CHARACTERIZATION OF INDIVIDUAL CHEMICAL REACTIONS CONSUMING ACID DURING NUCLEAR WASTE PROCESSING AT THE SAVANNAH RIVER SITE - 136B

    Energy Technology Data Exchange (ETDEWEB)

    Koopman, D.; Pickenheim, B.; Lambert, D.; Newell, J.; Stone, M.

    2009-09-02

    Conversion of legacy radioactive high-level waste at the Savannah River Site into a stable glass waste form involves a chemical pretreatment process to prepare the waste for vitrification. Waste slurry is treated with nitric and formic acids to achieve certain goals. The total quantity of acid added to a batch of waste slurry is constrained by the catalytic activity of trace noble metal fission products in the waste that can convert formic acid into hydrogen gas at many hundreds of times the radiolytic hydrogen generation rate. A large block of experimental process simulations were performed to characterize the chemical reactions that consume acid prior to hydrogen generation. The analysis led to a new equation for predicting the quantity of acid required to process a given volume of waste slurry.

  19. Nitrous acid (HONO) nocturnal surface deposition and daytime acid displacement: An alternative mechanism contributing to the unknown daytime HONO source

    Science.gov (United States)

    Murphy, J. G.; VandenBoer, T. C.; Roberts, J. M.; Young, C. J.; Brown, S. S.; Markovic, M. Z.; Talukdar, R. K.

    2012-12-01

    Measurements of HONO were made during two intensive field campaigns: NACHTT 2011 in Erie, CO and CalNex 2010 in Bakersfield, CA. These field data and results from a flow tube study provide a new perspective on the interactions of HONO with ground surfaces. Integrated atmospheric column measurements of HONO and NO2 during NACHTT provided clear evidence that the ground surface dominates HONO production and loss at night. Simultaneous measurements of the gas and particle phases made by an Ambient Ion Monitor - Ion Chromatography (AIM-IC) system during CalNex demonstrated the potential for reactive uptake of HONO on mineral dust/soil as a nocturnal sink. Similarly, the potential for nitrite salts to react with strong acids, displacing HONO during the day was suggested by this dataset. Lab study results confirmed that HONO reacts irreversibly with carbonate salts and real soil extracts. Relative humidity-dependent reactive uptake coefficients were derived. Subsequent release of HONO by displacement reactions with HNO3 and HCl was also demonstrated. Together, these field and lab studies contribute to a new picture of HONO surface interactions by providing i) a more explicit description of the nocturnal HONO sink that also is a surface reservoir and ii) a new mechanism for daytime HONO formation that does not require NO2.

  20. 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

  1. 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

  2. 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

  3. Subsurface transport potential of perfluoroalkyl acids at aqueous film-forming foam (AFFF)-impacted sites.

    Science.gov (United States)

    Guelfo, Jennifer L; Higgins, Christopher P

    2013-05-07

    Subsurface transport potential of a suite of perfluoroalkyl acids (PFAAs) was studied in batch sorption experiments with various soils and in the presence of co-contaminants relevant to aqueous film-forming foam (AFFF)-impacted sites. Specifically, PFAA sorption to multiple soils in the presence of nonaqueous phase liquid (NAPL) and nonfluorinated AFFF surfactants was examined. This study is the first to report on sorption of perfluorobutanoate (PFBA) and perfluoropentanoate (PFPeA) (log Koc = 1.88 and 1.37, respectively) and found that sorption of these compounds does not follow the chain-length dependent trend observed for longer chain-length PFAAs. Sorption of PFBA was similar to that of perfluorooctanoate (PFOA, log Koc = 1.89). NAPL and nonfluorinated AFFF surfactants all had varying impacts on sorption of longer chain (>6 CF2 groups) PFAAs. The primary impact of NAPL was observed in low foc soil (soil A) where Freundlich n-values increased when NAPL was present. Impacts of nonfluorinated AFFF surfactants varied with surfactant and soil. The anionic surfactant sodium decyl sulfate (SDS) illicited PFAA chain-length dependent impacts in two negatively charged soils with varying foc. In soil A, Kd values for perfluoroheptanoate (PFHpA) increased 91% with SDS, whereas values for perfluorodecanoate (PFDA) increased only 28%. An amphoteric surfactant, n,n-dimethyldodecylamine n-oxide (AO), had the most notable impact on PFAA sorption to a positively charged soil (soil C). In this soil, AO oxide significantly increased sorption for the longer chain PFAAs (i.e., 528% increase in Kd for PFDA). Changes in sorption caused by SDS and AO may be due to mixed hemimicelle formation, competitive sorption, or changes to PFAA solubility. Short-chain PFAA behavior in the presence of NAPL, SDS, and AO was again notable. Co-contaminants generally increased the sorption of these compounds to all soils. Log Kd values of PFBA in soil A increased 85%, 372%, and 32% in the presence of

  4. Attenuated total reflectance Fourier-transform infrared spectroscopy of carboxylic acids adsorbed onto mineral surfaces

    Science.gov (United States)

    Kubicki, J. D.; Schroeter, L. M.; Itoh, M. J.; Nguyen, B. N.; Apitz, S. E.

    1999-09-01

    A suite of naturally-occurring carboxylic acids (acetic, oxalic, citric, benzoic, salicylic and phthalic) and their corresponding sodium salts were adsorbed onto a set of common mineral substrates (quartz, albite, illite, kaolinite and montmorillonite) in batch slurry experiments. Solution pH's of approximately 3 and 6 were used to examine the effects of pH on sorption mechanisms. Attenuated total reflectance Fourier-transform infrared (ATR FTIR) spectroscopy was employed to obtain vibrational frequencies of the organic ligands on the mineral surfaces and in solution. UV/visible spectroscopy on supernatant solutions was also employed to confirm that adsorption from solution had taken place for benzoic, salicylic and phthalic acids. Molecular orbital calculations were used to model possible surface complexes and interpret the experimental spectra. In general, the tectosilicates, quartz and albite feldspar, did not chemisorb (i.e., strong, inner-sphere adsorption) the carboxylate anions in sufficient amounts to produce infrared spectra of the organics after rinsing in distilled water. The clays (illite, kaolinite and montmorillonite) each exhibited similar ATR FTIR spectra. However, the illite sample used in this study reacted to form strong surface and aqueous complexes with salicylic acid before being treated to remove free Fe-hydroxides. Chemisorption of carboxylic acids onto clays is shown to be limited without the presence of Fe-hydroxides within the clay matrix.

  5. 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)

  6. 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.

  7. Interaction of Pseudolaric Acid B with The Colchicine Site of Tubulin

    Science.gov (United States)

    Sarkar, Taradas; Nguyen, Tam Luong; Su, Zhi-Wei; Hao, Jun; Bai, Ruoli; Gussio, Rick; Qiu, Samuel X.; Hamel, Ernest

    2012-01-01

    We purified pseudolaric acid B (PAB) from the root and stem bark of Pseudolarix kaempferi (Lindl.) Gorden. Confirming previous findings, we found that the compound had high nanomolar IC50 antiproliferative effects in several cultured cell lines, causing mitotic arrest and the disappearance of intracellular microtubules. PAB strongly inhibited tubulin assembly (IC50, 1.1 μM) but weakly inhibited the binding of colchicine to tubulin, as demonstrated by fluorescence and with [3H]colchicine. Kinetic analysis demonstrated that the mechanism of inhibition was competitive, with an apparent Ki of 12-15 μM. Indirect studies demonstrated that PAB bound rapidly to tubulin and dissociated more rapidly from tubulin than the colchicine analog 2-methoxy-5-(2′,3′,4′-trimethoxyphenyl)tropone, whose complex with tubulin is known to have a half-life of 17 s at 37 °C. We modeled PAB into the colchicine site of tubulin, using the crystal structure 1SA0 that contains two αβ-tubulin heterodimers, both bound to a colchicinoid and to a stathmin fragment. The binding model of PAB revealed common pharmacophoric features between PAB and colchicinoids, not readily apparent from their chemical structures. PMID:22634405

  8. Compromised Osseous Healing of Dental Extraction Sites in Zoledronic Acid-Treated Dogs

    Science.gov (United States)

    Allen, Matthew R.; Kubek, Daniel J.; Burr, David B.; Ruggiero, Salvatore L.; Chu, Tien-Min Gabriel

    2010-01-01

    PURPOSE The goal of this study was to document how treatment with a bisphosphonate affects the bone tissue following dental extraction. METHODS Skeletally mature female beagle dogs were either untreated controls (CON) or treated with intravenous zoledronic acid (ZOL). Following the extraction of the 4th premolars, healing was allowed for 4 or 8 weeks. Properties of the extraction site were assessed using micro-computed tomography (micro-CT) and dynamic histomorphometry. RESULTS The initial infilling of the extraction socket with bone was not affected by ZOL but subsequent removal of this bone was significantly suppressed compared to CON. After 8-weeks of healing, the alveolar cortical bone adjacent to the extraction socket had a remodeling rate of ~50%/year in CON animals while ZOL-treated animals had a rate of < 1%/year. One ZOL-treated animal developed exposed bone post-extraction which eventually led to the formation of a sequestrum. Assessment of the sequestrum with micro-CT and histology showed that it had features consistent with those reported in humans with osteonecrosis of the jaw. CONCLUSIONS These results, showing significantly compromised post-extraction osseous healing as well as presence of exposed bone and development of a sequestrum in one ZOL animal, provide a building block toward understanding the pathophysiology of osteonecrosis of the jaw. PMID:20458574

  9. 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.

  10. 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.

  11. Developing palaeolimnological records of organic content (DOC and POC) using the UK Acid Water Monitoring Network sites

    Science.gov (United States)

    Russell, Fiona; Chiverrell, Richard; Boyle, John

    2016-04-01

    Monitoring programmes have shown increases in concentrations of dissolved organic matter (DOM) in the surface waters of northern and central Europe (Monteith et al. 2007), and negative impacts of the browning of river waters have been reported for fish populations (Jonsson et al. 2012; Ranaker et al. 2012) and for ecosystem services such as water treatment (Tuvendal and Elmqvist 2011). Still the exact causes of the recent browning remain uncertain, the main contenders being climate change (Evans et al. 2005) and reduced ionic strength in surface water resulting from declines in anthropogenic sulphur and sea salt deposition (Monteith et al. 2007). There is a need to better understand the pattern, drivers and trajectory of these increases in DOC and POC in both recent and longer-term (Holocene) contexts to improve the understanding of carbon cycling within lakes and their catchments. In Britain there are some ideal sites for testing whether these trends are preserved and developing methods for reconstructing organic fluxes from lake sedimentary archives. There is a suite of lakes distributed across the country, the UK Acid Waters Monitoring Network (UKAWMN) sites, which have been monitored monthly for dissolved organic carbon and other aqueous species since 1988. These 12 lakes have well studied recent and in some case whole Holocene sediment records. Here four of those lakes (Grannoch, Chon, Scoat Tarn and Cwm Mynach) are revisited, with sampling focused on the sediment-water interface and very recent sediments (approx.150 years). At Scoat Tarn (approx. 1000 years) and Llyn Mynach (11.5k years) longer records have been obtained to assess equivalent patterns through the Holocene. Analyses of the gravity cores have focused on measuring and characterising the organic content for comparison with recorded surface water DOC measurements (UKAWMN). Data from pyrolysis measurements (TGA/DSC) in an N atmosphere show that the mass loss between 330-415°C correlates well with

  12. 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

  13. 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

  14. On the role of strength and location of Bronsted acid sites for ethylamine synthesis on mordenite catalysts

    NARCIS (Netherlands)

    Veefkind, V.A.; Smidt, M.L.; Lercher, J.A.

    2000-01-01

    The elementary steps of alkylation of ammonia with ethanol and the role of the strength and location of the acid sites of the mordenite catalysts were investigated by means of in situ i.r. spectroscopy, temperature-programmed desorption and kinetic measurements. Ethanol and ammonia have access to

  15. Poly-lactic-glycolic-acid surface nanotopographies selectively decrease breast adenocarcinoma cell functions

    Science.gov (United States)

    Zhang, Lijuan; Webster, Thomas J.

    2012-04-01

    The ability of poly(lactic-co-glycolic acid) (PLGA, 50:50 PLG/PGA, wt%) nanotopographies to decrease lung epithelial carcinoma cell functions (including adhesion, proliferation, apoptosis and vascular endothelial growth factor (VEGF) secretion) has been previously reported. Specifically, results demonstrated decreased lung epithelial carcinoma cell VEGF synthesis on 23 nm surface-featured PLGA compared to traditional nanosmooth PLGA. However, clearly, different cell lines could have different behaviors on similar biomaterials. Thus, to investigate the universality of nanopatterned PLGA substrates to inhibit numerous cancer cell functions, here, breast epithelial adenocarcinoma cell (MCF-7) adhesion, proliferation, apoptosis and VEGF secretion were determined on different PLGA nanometer surface topographies. To isolate surface nanotopographical effects from all other surface properties, PLGA surfaces with various nanotopographies but similar chemistry and hydrophobicity were fabricated here. Atomic force microscopy (AFM) verified the varied nanotopographies on the PLGA surfaces prepared in this study. Importantly, results demonstrated for the first time significantly decreased breast adenocarcinoma cell functions (including decreased proliferation rate, increased apoptosis and decreased VEGF synthesis) on 23 nm featured PLGA surfaces compared to all other PLGA surface topographies fabricated (specifically, nanosmooth, 300 and 400 nm surface-featured PLGA surfaces). In contrast, healthy breast epithelial cells proliferated more (24%) on the 23 nm featured PLGA surfaces compared to all other PLGA samples. In summary, these results provided further insights into understanding the role PLGA surface nanotopographies can have on cancer cell functions and, more importantly, open the possibility of using polymer nanotopographies for a wide range of anticancer regenerative medicine applications (without resorting to the use of chemotherapeutics).

  16. 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

  17. 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.

  18. Long term analysis of the columnar and surface aerosol relationship at an urban European coastal site

    Science.gov (United States)

    Segura, S.; Estellés, V.; Utrillas, M. P.; Martínez-Lozano, J. A.

    2017-10-01

    Simultaneous PM2.5, PM10 and columnar (ground and satellite based) AOD measurements have been analyzed at Burjassot site in the metropolitan area of Valencia (Spain) during the period 2007-2016. The site is representative of a south European city in the Western Mediterranean coastal area, influenced by local urban pollution but also from frequent Saharan dust events. First, multiannual statistics were performed to characterize the main aerosol burden characteristics. The averages and standard deviations resulted 18 ± 9 μg m-3, 25 ± 19 μg m-3, 0.15 ± 0.11, 0.23 ± 0.17, 0.19 ± 0.15 and 1.2 ± 0.3 for PM2.5, PM10, AERONET AOD, MODIS Terra AOD, MODIS Aqua AOD, and AERONET Ångström exponent AE, respectively. The AOD is always referred to 550 nm. PM10 and AOD showed seasonal patterns with maxima in summer and minima in winter. However, PM2.5 and AE did not show such an evident seasonality. The relationship between surface and columnar measurements show a poor correlation (r down to 0.30) for daily values, although the correlation increases to r up to 0.90 for yearly averages. The relationship between PM and AOD becomes more consistent when the databases are binned in intervals of 0.05 AOD. Results for AERONET and MODIS AOD are very similar, although for daily averages is slightly worse for satellite than ground based measurements. In order to explain some seasonality effects found, the mixing layer height has been included in the analysis. Results show that the correlation is maximum when PM2.5 is used and the mixing layer height is greater than 1 000 m (r > 0.90).

  19. 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".

  20. 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.

  1. 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.

  2. Investigation of siting parameters for near surface disposal of low-level nuclear waste. Final report

    International Nuclear Information System (INIS)

    Schell, W.R.; Sanchez, A.L.; Thomas, E.D.

    1985-01-01

    A study was initiated in April 1984 to evaluate actual problems associated with and to recommend improvements for near surface disposal of low-level radioactive wastes in the State of Pennsylvania and the humid Northeast. The results of field measurements showed some vertical transport of 137 Cs and other fallout radionuclides in 210 Pb dated peat cores from the unsaturated zone. Under the natural acid rain conditions (pH 4.0), the most mobile radionuclide, 137 Cs, gave diffusion coefficients of 10 -7 to 10 -9 cm 2 /sec in the different organic rich soils. Both the upward and downward migration of radionuclides resulted from the hydrological cycle of evapotranspiration and precipitation which gave diffusive mixing of mobile radionuclides. The distribution coefficient, K/sub d/ values, for several radionuclides in the organic rich soils were found to be equal to or greater than those measured previously for inorganic clay and sediment matrices. To insure that radionuclides do not enter water supplies in the humid Northeast where pH 4.0 rain is encountered, a peat liner should be considered in the multibarrier design of repositories. 32 refs., 16 figs., 8 tabs

  3. 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

  4. Data Validation Package - April and July 2015 Groundwater and Surface Water Sampling at the Gunnison, Colorado, Processing Site

    Energy Technology Data Exchange (ETDEWEB)

    Linard, Joshua [Dept. of Energy (DOE), Washington, DC (United States). Office of Legacy Management; Campbell, Sam [Navarro Research and Engineering, Inc., Oak Ridge, TN (United States)

    2016-02-01

    This event included annual sampling of groundwater and surface water locations at the Gunnison, Colorado, Processing Site. Sampling and analyses were conducted as specified in Sampling and Analysis Plan for U.S. Department of Energy Office of Legacy Management Sites. Samples were collected from 28 monitoring wells, three domestic wells, and six surface locations in April at the processing site as specified in the 2010 Ground Water Compliance Action Plan for the Gunnison, Colorado, Processing Site. Domestic wells 0476 and 0477 were sampled in July because the homes were unoccupied in April, and the wells were not in use. Duplicate samples were collected from locations 0113, 0248, and 0477. One equipment blank was collected during this sampling event. Water levels were measured at all monitoring wells that were sampled. No issues were identified during the data validation process that requires additional action or follow-up.

  5. Surface functionalisation of polypropylene hernia-repair meshes by RF-activated plasma polymerisation of acrylic acid and silver nanoparticles

    International Nuclear Information System (INIS)

    Nisticò, Roberto; Rosellini, Andrea; Rivolo, Paola; Faga, Maria Giulia; Lamberti, Roberta; Martorana, Selanna; Castellino, Micaela; Virga, Alessandro; Mandracci, Pietro; Malandrino, Mery; Magnacca, Giuliana

    2015-01-01

    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

  6. Using ground-based geophysics to rapidly and accurately map sub-surface acidity

    Science.gov (United States)

    Wong, Vanessa; Triantafilis, John; Johnston, Scott; Nhan, Terence; Page, Donald; Wege, Richard; Hirst, Phillip; Slavich, Peter

    2013-04-01

    Globally, large areas of coastal and estuarine floodplains are underlain by sulfidic sediments and acid sulfate soils (ASS). These soils can be environmentally hazardous due to their high acidity and large pool of potentially mobile metals. The floodplains are characterised by high spatial and temporal heterogeneity. On coastal floodplains, ASS are of moderate to high salinity, with salts derived mainly from either connate marine sources or oxidation of biogenic sulfides and the subsequent increases in soluble ions (e.g. SO42-) and acidity that follow oxidation. Enhanced acidity also increases the mobilisation of pH-sensitive trace metals such as Fe, Al, Mn, Zn and Ni and contributes to increasing apparent salinity. Ground-based geophysics using electromagnetic (EM) induction techniques have been used successfully and extensively to rapidly map soils for salinity management and precision agriculture. EM induction techniques measure apparent soil electrical conductivity (ECa), which is a function of salinity, clay content, water content, soil mineralogy and temperature to determine the spatial distribution of sub-surface conductivity. In this study, we used ECa as a proxy to map the surface and sub-surface spatial distribution of ASS and associated acidic groundwater. Three EM instruments were used, EM38, DUALEM-421 and EM34, which focus on different depth layers, in a survey of a coastal floodplain in eastern Australia. The EM surveys were calibrated with limited soil sampling and analysis (pH, EC, soluble and exchangeable salts and metals, particle size and titratable actual acidity (TAA)). Using fuzzy k-means clustering analysis, the EM38 and elevation data, from a digital elevation model, clearly identified three classes in the near-surface (0-2m) layers: i) levee soils, ii) fluvial sediment capping and iii) ASS (Fig. 4). Increasing the number of classes did not alter the classes identified. Joint inversion of the DUALEM-421 and EM34 data also identified

  7. 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...

  8. Polyamide microcapsules containing alginic acid: extractability of metal ions and surface characterization by XPS.

    Science.gov (United States)

    Asaki, M; Ichinose, T; Monjushiroh, H; Fukumoto, T; Watarai, H

    1998-01-01

    Polyamide microcapsules containing alginic acid as a water-soluble macromolecular ligand (Alg-MC) were prepared by the interfacial polycondensation of sebacoyldichloride with hexamethylenediamine in a w/o emulsion system. The mean diameter of the microcapsules was 1.2 microns. The extractabilities of Cu(II), Ni(II), Co(II) and Ag(I) into the Alg-MC were examined and the highest uptake was found for Cu(II). It was ascertained that not only the inner ligand solution but also the membrane can accumulate the metal ions. The surface composition of the microcapsules was characterized by X-ray photo-electron spectroscopy (XPS) and it was found that some functional groups of alginic acid were present at the surface penetrating the membrane.

  9. Surface modification of magnetite nanoparticles using gluconic acid and their application in immobilized lipase.

    Science.gov (United States)

    Sui, Ying; Cui, Yu; Nie, Yong; Xia, Guang-Ming; Sun, Guo-Xin; Han, Jing-Tian

    2012-05-01

    Superparamagnetic magnetite nanoparticles (SMN) were surface-modified with gluconic acid (GLA) to improve their hydrophilicity and bio-affinity. Gluconic acid was successfully coated on the surface of magnetite nanoparticles and characterized using Fourier transform infrared spectroscopy (FT-IR). With water-soluble carbodiimide (EDC) as the coupling reagent, lipase was successfully immobilized onto the hydroxyl-functionalized magnetic nanoparticles. The immobilized lipase had better resistance to temperature and pH inactivation in comparison to the free form and hence widened the reaction pH and temperature range. Thermostability and storage stability of the enzyme improved upon covalent immobilization. Immobilized lipase showed higher activity after recycling when compared to the free one and could be recovered by magnetic separation. Copyright © 2011 Elsevier B.V. All rights reserved.

  10. Gamma-aminobutyric acid-modulated benzodiazepine binding sites in bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Lummis, S.C.R.; Johnston, G.A.R. (Univ. of Sydney, New South Wales (Australia)); Nicoletti, G. (Royal Melbourne Inst. of Tech. (Australia)); Holan, G. (CSIRO, Melbourne (Australia))

    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 ({sup 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 ({sup 3}H)diazepam binding are those that are active in displacing ({sup 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.

  11. [Preparation of surface molecularly imprinted polymers for penicilloic acid, and its adsorption properties].

    Science.gov (United States)

    Zheng, Penglei; Luo, Zhimin; Chang, Ruimiao; Ge, Yanhui; Du, Wei; Chang, Chun; Fu, Qiang

    2015-09-01

    On account of the specificity and reproducibility for the determination of penicilloic acid in penicillin, this study aims to prepare penicilloic acid imprinted polymers (PEOA-MIPs) by surface polymerization method at the surface of modified silica particles by using penicilloic acid (PEOA) as the template molecule, methacrylic acid (MAA) as the functional monomer, ethylene glycol dimethacrylate ( EGDMA) as the cross linker, and methanol/acetonitrile as the solvents. The synthesis conditions were optimized, and PEOA-MIPs had the best adsorption capacity when the molar ratio of template molecule/functional monomer was 1 :4, cross linking degree was 85% and the solvent ratio of methanol/acetonitrile was 1 :1 (v/v). The adsorption properties were evaluated by adsorption experiments, including the adsorption isotherms, kinetics and selectivity. The adsorption process between PEOA-MIPs and PEOA fitted the Langmuir adsorption isotherm with the maximum adsorption capacity of 122. 78 mg/g and the pseudo-second-order reaction kinetics with fast adsorption kinetics (the equilibrium time of 45 min). The as-synthesized PEOA-MIPs were characterized by scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), and thermal gravimetric analysis (TGA). The results indicated that the MIPs layer has been successfully grafted on the surface of SiO2 microparticles and the PEOA-MIPs had the excellent thermal stability. The PEOA-MIPs showed the highest selective recognition for PEOA. The PEOA-MIPs possess a high adsorption capacity, rapid mass-transfer rate and high selectivity to PEOA when compared with non-imprinted polymers (PEOA-NIPs). The PEOA-MIPs was expected to be used as the solid phase extraction medium and this study provides the potential applications for fast recognition and analysis of the penicilloic acid in penicillin.

  12. The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

    NARCIS (Netherlands)

    Wolthers, M.; Charlet, L.; Van Cappellen, P.

    2008-01-01

    The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

  13. 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.

  14. 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.

  15. Monitoring of surface chemical and underground nuclear explosions with help of ionospheric radio-sounding above test site

    International Nuclear Information System (INIS)

    Krasnov, V.M.; Drobzheva, Ya.V.

    2000-01-01

    We describe the basic principles, advantages and disadvantages of ionospheric method to monitor surface chemical and underground nuclear explosions. The ionosphere is 'an apparatus' for the infra-sound measurements immediately above the test site. Using remote radio sounding of the ionosphere you can obtain that information. So you carry out the inspection at the test site. The main disadvantage of the ionospheric method is the necessity to sound the ionosphere with radio waves. (author)

  16. Single-molecule characterization and engineering of the surfaces of nucleic acid sensors

    Science.gov (United States)

    Josephs, Eric Alan

    The advent of personalized medicine will require biosensors capable of reliably detecting small levels of disease biomarkers. In microarrays and sensors for nucleic acids, hybridization events between surface-tethered DNA probes and the nucleic acids of interest (targets) are transduced into a detectable signal. However, target-binding ultimately occurs as a result of molecular motions and interactions between the probe and target at the nanometer scale, and common characterization methods either lack the resolution to characterize the sensors at this scale or provide only limited information about their interactions with their nanoscale chemical environment. In this dissertation I argue that an impediment to the development of more reliable and practical biosensors is the lack of knowledge and control of the nanometer length-scale structure of biosensor surfaces, which has a profound impact on molecular recognition and reactions for detection. After reviewing the fundamental surface chemistry and structural motifs of biosensors in Chapter 1, in Chapter 2 I use electrochemical atomic force microscopy (EC-AFM) to characterize in situ a common class of model nucleic acid sensors---thiolated DNA attached to a gold electrode which has been passivated by an alkanethiol self-assembled monolayer---with single-molecule resolution. This level of detail allows me to observe both the conformations of individual probes and their spatial distribution at the nanoscale, then determine how these are affected by assembly conditions, probe structure, and interactions with co-adsorbates. I also determine how these nanoscale details affect the dynamic response of probes to electric fields, which have been commonly used in sensing schemes, and ultimately the ability of the surface-tethered probes to bind with target nucleic acids. In Chapter 3, I demonstrate and optimize the nanoscale patterning of individual DNA molecules into isolated, chemically well-defined niches on the surface

  17. Polymer grafting surface as templates for the site-selective metallization

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Fang [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China); Li, Peiyuan, E-mail: lipearpear@yahoo.cn [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); Li, Xiangcheng [School of computer, electronics and information, Guangxi University, Nanning 530001 (China); Huo, Lini [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); Chen, Jinhao [College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China); Chen, Rui [College of Pharmacy, Guangxi University of Chinese Medicine, Nanning 530001 (China); Na, Wei; Tang, Wanning; Liang, Lifang [College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China); Su, Wei, E-mail: aaasuwei@yahoo.com.cn [College of Chemistry and Life Science, Guangxi Teachers Education University, Nanning 530001 (China)

    2013-06-01

    We report a simple, low-cost and universal method for the fabrication of copper circuit patterns on a wide range of flexible polymeric substrates. This method relies on procedures to modify the polymeric substrates with grafted polymer template to form surface-bound N-containing groups, which can bind palladium catalysts that subsequently initiate the site-selective deposition of copper granular layer patterns. The fabrications of patterned copper films were demonstrated on three kinds of flexible polymeric films including poly(imide) (PI), poly(ethylene naphthalate) (PEN) and poly(ethylene terephthalate) (PET) with minimum feature sizes of 200 μm. The films were characterized by ATR FT-IR, contact angle, XPS, XRD, TEM, SEM. Furthermore, the copper layered structure shows good adhesion with polymeric film. This method, which provides a promising strategy for the fabrication of copper circuit patterns on flexible polymeric substrates, has the potential in manufacturing conductive features adopted in various fields including modern electronics, opto-electronics and photovoltaic applications.

  18. A comparative study of surface waves inversion techniques at strong motion recording sites in Greece

    Science.gov (United States)

    Panagiotis C. Pelekis,; Savvaidis, Alexandros; Kayen, Robert E.; Vlachakis, Vasileios S.; Athanasopoulos, George A.

    2015-01-01

    Surface wave method was used for the estimation of Vs vs depth profile at 10 strong motion stations in Greece. The dispersion data were obtained by SASW method, utilizing a pair of electromechanical harmonic-wave source (shakers) or a random source (drop weight). In this study, three inversion techniques were used a) a recently proposed Simplified Inversion Method (SIM), b) an inversion technique based on a neighborhood algorithm (NA) which allows the incorporation of a priori information regarding the subsurface structure parameters, and c) Occam's inversion algorithm. For each site constant value of Poisson's ratio was assumed (ν=0.4) since the objective of the current study is the comparison of the three inversion schemes regardless the uncertainties resulting due to the lack of geotechnical data. A penalty function was introduced to quantify the deviations of the derived Vs profiles. The Vs models are compared as of Vs(z), Vs30 and EC8 soil category, in order to show the insignificance of the existing variations. The comparison results showed that the average variation of SIM profiles is 9% and 4.9% comparing with NA and Occam's profiles respectively whilst the average difference of Vs30 values obtained from SIM is 7.4% and 5.0% compared with NA and Occam's.

  19. Seismic site characterization of an urban dedimentary basin, Livermore Valley, California: Site tesponse, basin-edge-induced surface waves, and 3D simulations

    Science.gov (United States)

    Hartzell, Stephen; Leeds, Alena L.; Ramirez-Guzman, Leonardo; Allen, James P.; Schmitt, Robert G.

    2016-01-01

    Thirty‐two accelerometers were deployed in the Livermore Valley, California, for approximately one year to study sedimentary basin effects. Many local and near‐regional earthquakes were recorded, including the 24 August 2014 Mw 6.0 Napa, California, earthquake. The resulting ground‐motion data set is used to quantify the seismic response of the Livermore basin, a major structural depression in the California Coast Range Province bounded by active faults. Site response is calculated by two methods: the reference‐site spectral ratio method and a source‐site spectral inversion method. Longer‐period (≥1  s) amplification factors follow the same general pattern as Bouguer gravity anomaly contours. Site response spectra are inverted for shallow shear‐wave velocity profiles, which are consistent with independent information. Frequency–wavenumber analysis is used to analyze plane‐wave propagation across the Livermore Valley and to identify basin‐edge‐induced surface waves with back azimuths different from the source back azimuth. Finite‐element simulations in a 3D velocity model of the region illustrate the generation of basin‐edge‐induced surface waves and point out strips of elevated ground velocities along the margins of the basin.

  20. Sterol regulation of human fatty acid synthase promoter I requires nuclear factor-Y- and Sp-1-binding sites.

    Science.gov (United States)

    Xiong, S; Chirala, S S; Wakil, S J

    2000-04-11

    To understand cholesterol-mediated regulation of human fatty acid synthase promoter I, we tested various 5'-deletion constructs of promoter I-luciferase reporter gene constructs in HepG2 cells. The reporter gene constructs that contained only the Sp-1-binding site (nucleotides -82 to -74) and the two tandem sterol regulatory elements (SREs; nucleotides -63 to -46) did not respond to cholesterol. Only the reporter gene constructs containing a nuclear factor-Y (NF-Y) sequence, the CCAAT sequence (nucleotides -90 to -86), an Sp-1 sequence, and the two tandem SREs responded to cholesterol. The NF-Y-binding site, therefore, is essential for cholesterol response. Mutating the SREs or the NF-Y site and inserting 4 bp between the Sp-1- and NF-Y-binding sites both resulted in a minimal cholesterol response of the reporter genes. Electrophoretic mobility-shift assays using anti-SRE-binding protein (SREBP) and anti-NF-Ya antibodies confirmed that these SREs and the NF-Y site bind the respective factors. We also identified a second Sp-1 site located between nucleotides -40 and -30 that can substitute for the mutated Sp-1 site located between nucleotides -82 and -74. The reporter gene expression of the wild-type promoter and the Sp-1 site (nucleotides -82 to -74) mutant promoter was similar when SREBP1a [the N-terminal domain of SREBP (amino acids 1-520)] was constitutively overexpressed, suggesting that Sp-1 recruits SREBP to the SREs. Under the same conditions, an NF-Y site mutation resulted in significant loss of reporter gene expression, suggesting that NF-Y is required to activate the cholesterol response.

  1. 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.

  2. Biodegradable polyester films from renewable aleuritic acid: surface modifications induced by melt-polycondensation in air

    Science.gov (United States)

    Jesús Benítez, José; Alejandro Heredia-Guerrero, José; Inmaculada de Vargas-Parody, María; Cruz-Carrillo, Miguel Antonio; Morales-Flórez, Victor; de la Rosa-Fox, Nicolás; Heredia, Antonio

    2016-05-01

    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.

  3. Solution of underground mine gas emissions on surface of abandoned mining sites where steep deposited coal seams have been exploited

    Energy Technology Data Exchange (ETDEWEB)

    Takla, G.; Froml, K. [OKD, DPB, Paskov (Czech Republic)

    2005-07-01

    The solution of uncontrolled gas emissions from abandoned underground coal mine sites in Ostrava-Karvina coal-field to surface ground in connection with old mine shafts and drifts and with old mining workings in horizontal and inclined coal seams has many forms. It varies according to geological and mining conditions and the disposition of the site surface. Since four years the gas emission risk has appeared in the area of former exploited vertical coal seams within the historical centre of Orlova town, which is protected by State Monument Protection office. A project based on such special nature of mining-geological and urban conditions was elaborated and already implemented. (authors)

  4. Site-selective substitutional doping with atomic precision on stepped Al (111) surface by single-atom manipulation.

    Science.gov (United States)

    Chen, Chang; Zhang, Jinhu; Dong, Guofeng; Shao, Hezhu; Ning, Bo-Yuan; Zhao, Li; Ning, Xi-Jing; Zhuang, Jun

    2014-01-01

    In fabrication of nano- and quantum devices, it is sometimes critical to position individual dopants at certain sites precisely to obtain the specific or enhanced functionalities. With first-principles simulations, we propose a method for substitutional doping of individual atom at a certain position on a stepped metal surface by single-atom manipulation. A selected atom at the step of Al (111) surface could be extracted vertically with an Al trimer-apex tip, and then the dopant atom will be positioned to this site. The details of the entire process including potential energy curves are given, which suggests the reliability of the proposed single-atom doping method.

  5. Solution of underground mine gas emissions on surface of abandoned mining sites where steep deposited coal seams have been exploited

    International Nuclear Information System (INIS)

    Takla, G.; Froml, K.

    2005-01-01

    The solution of uncontrolled gas emissions from abandoned underground coal mine sites in Ostrava-Karvina coal-field to surface ground in connection with old mine shafts and drifts and with old mining workings in horizontal and inclined coal seams has many forms. It varies according to geological and mining conditions and the disposition of the site surface. Since four years the gas emission risk has appeared in the area of former exploited vertical coal seams within the historical centre of Orlova town, which is protected by State Monument Protection office. A project based on such special nature of mining-geological and urban conditions was elaborated and already implemented. (authors)

  6. 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.

  7. 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)

  8. [The investigation of humic acid by surface-enhanced Raman spectroscopy].

    Science.gov (United States)

    Zhang, Wen-Juan; Li, Ying; Guo, Jin-Jia; Xiao, Qiong; Yu, Li

    2013-05-01

    Humic acid (HA), which are organic compounds widely existing in the oceans, rivers and soil, has important significance for the environmental monitoring of soil and water. In this paper, ai ming at the problem of Surface-enhanced Raman Spectroscopy (SERS) applying for HA detection in water, the characteristics of the humic acid on silver colloids was studied by means of SERS. The influence of laser irradiation time, HA concentrations and pH value on the surface-enhanced effects of HA were investigated. The experimental results show that the SERS spectra of HA is ideal when the laser irradiation time between 20-30 min. The SERS of different HA concentrations was detected. It was found that the relative intensity at 1 379 cm(-1) increased as a linear function of the concentration of HA with correlation coefficient R2 of 0.993. The SERS of HA was found to be very sensitive to pH, the SERS spectra of HA was very weak at neutral pH, but at acidic pH and alkaline pH a remarkable increase of SERS intensity occurred. The SERS of HA in running water was detected too. The experimental results show that it is feasible to detect HA in natural water by means of surface-enhanced Raman spectroscopy.

  9. 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.

  10. Biological and surface-active properties of double-chain cationic amino acid-based surfactants.

    Science.gov (United States)

    Greber, Katarzyna E; Dawgul, Małgorzata; Kamysz, Wojciech; Sawicki, Wiesław; Łukasiak, Jerzy

    2014-08-01

    Cationic amino acid-based surfactants were synthesized via solid phase peptide synthesis and terminal acylation of their α and ε positions with saturated fatty acids. Five new lipopeptides, N-α-acyl-N-ε-acyl lysine analogues, were obtained. Minimum inhibitory concentration and minimum bactericidal (fungicidal) concentration were determined on reference strains of bacteria and fungi to evaluate the antimicrobial activity of the lipopeptides. Toxicity to eukaryotic cells was examined via determination of the haemolytic activities. The surface-active properties of these compounds were evaluated by measuring the surface tension and formation of micelles as a function of concentration in aqueous solution. The cationic surfactants demonstrated diverse antibacterial activities dependent on the length of the fatty acid chain. Gram-negative bacteria and fungi showed a higher resistance than Gram-positive bacterial strains. It was found that the haemolytic activities were also chain length-dependent values. The surface-active properties showed a linear correlation between the alkyl chain length and the critical micelle concentration.

  11. Acid-base surface chemistry and sorption of some lanthanides on K +-saturated Marblehead illite: II. a multisite-surface complexation modeling

    Science.gov (United States)

    Kulik, Dmitrii A.; Aja, Stephen U.; Sinitsyn, Vasilii A.; Wood, Scott A.

    2000-01-01

    The surface reactivity and sorption of Nd and Eu onto K +-saturated Marblehead illite at 25°C, measured in aqueous 0.01, 0.1, and 1.0 M KCl solutions, were interpreted with a multi-site-surface complexation model. Model potentiometric titration and sorption curves (computed using the Gibbs free energy minimization code, Selektor-A) resolve into reactions on variable-charge amphoteric sites on edge surfaces and on permanent-charge siloxane surfaces (φ x). Standard partial molal Gibbs free energy of formation from elements (g 2980) for surface complexes were derived from oxide (SiO 2,am and γ-Al 2O 3) surface deprotonation KA10, KA20 and electrolyte adsorption constants KCl0, KNa0. Because surface complexation reactions on siloxane basal surfaces are negligible in 1 M KCl, models of surface charge and adsorption edges of Nd and Eu presumed that C 1 is equal to 1.6 Fm -2 for amphoteric site types, and a maximum site density of 1.2 ± 0.2 sites nm -2 for the outer-sphere species, (Al>OH 2+Cl -). To obtain values of g 2980 for exchangeable cations and charged X ˜REE complexes, ion exchange sites were assumed to be fully deprotonated in 1.0 M KCl solutions (pH > 2.7). Proton release and REE 3+ uptake on ion exchange sites were then simulated (pH 4.0) from initial values of 20 to 48%. The application of Gibbs free energy minimization to sorption processes is innovative in that simultaneous treatment of surface complexation reactions and minerals stability is feasible in any system without introducing mass-balance constraints particular to surface species.

  12. Surface magnetic contribution in zinc ferrite thin films studied by element- and site-specific XMCD hysteresis-loops

    Energy Technology Data Exchange (ETDEWEB)

    Mendoza Zélis, P.; Pasquevich, G.A. [IFLP-CCT-La Plata-CONICET and Departamento de Física, Facultad de Ciencias Exactas, C. C. 67, Universidad Nacional de La Plata, 1900 La Plata (Argentina); Departamento de Ciencias Básicas, Facultad de Ingeniería, Universidad Nacional de La Plata, 1900 La Plata (Argentina); Salcedo Rodríguez, K.L.; Sánchez, F.H. [IFLP-CCT-La Plata-CONICET and Departamento de Física, Facultad de Ciencias Exactas, C. C. 67, Universidad Nacional de La Plata, 1900 La Plata (Argentina); Rodríguez Torres, C.E., E-mail: torres@fisica.unlp.edu.ar [IFLP-CCT-La Plata-CONICET and Departamento de Física, Facultad de Ciencias Exactas, C. C. 67, Universidad Nacional de La Plata, 1900 La Plata (Argentina)

    2016-12-01

    Element- and site-specific magnetic hysteresis-loops measurements on a zinc ferrite (ZnFe{sub 2}O{sub 4}) thin film were performed by X-ray magnetic circular dichroism. Results show that iron in octahedral and tetrahedral sites of spinel structure are coupled antiferromagnetically between them, and when magnetic field is applied the magnetic moment of the ion located at octahedral sites aligns along the field direction. The magnetic measurements reveal a distinctive response of the surface with in-plane anisotropy and an effective anisotropy constant value of 12.6 kJ/m{sup 3}. This effective anisotropy is due to the combining effects of demagnetizing field and, volume and surface magnetic anisotropies K{sub V} =3.1 kJ/m{sup 3} and K{sub S} =16 μJ/m{sup 2}. - Highlights: • Surface magnetic response in ZnFe{sub 2}O{sub 4} film (thickness t ∼57 nm) by XMCD is studied. • Measurements of magnetic moment vs. applied field cycles via XMCD are presented. • Fe{sup 3+} at A- and B-sites are coupled antiferromagnetically between them. • A distinctive response of the surface with in-plane magnetic anisotropy is determined. • Volume and surface magnetic anisotropy are determined: 3.1 kJ/m{sup 3} and 16 μJ/m{sup 2}.

  13. Reduction of microbial contamination on the surfaces of layer houses using slightly acidic electrolyzed water.

    Science.gov (United States)

    Ni, L; Cao, W; Zheng, W C; Zhang, Q; Li, B M

    2015-11-01

    The objective of this study was to evaluate the effectiveness of slightly acidic electrolyzed water (SAEW) in reducing pathogens on pure cultures and on cotton fabric surfaces in the presence of organic matter and estimate its efficacy in comparison with povidone iodine solution for reducing pathogenic microorganisms on internal surfaces of layer houses. Pure cultures of E.coli, S.enteritidis, and S.aureus and cotton fabric surfaces inoculated with these strains were treated with SAEW in the presence of bovine serum albumin (BSA). In the absence of BSA, complete inactivation of all strains in pure cultures and on cotton fabric surfaces was observed after 2.5 and 5 min treatment with SAEW at 40 mg/L of available chlorine concentration (ACC), respectively. The bactericidal efficiency of SAEW increased with increasing ACC, but decreased with increasing BSA concentration. Then, the surfaces of the layer houses were sprayed with SAEW at 60, 80, and 100 mg/L of ACC and povidone iodine using the automated disinfection system at a rate of 110 mL/m(2), respectively. Samples from the floor, wall, feed trough, and egg conveyor belt surfaces were collected with sterile cotton swabs before and after spraying disinfection. Compared to tap water, SAEW and povidone iodine significantly reduced microbial populations on each surface of the layer houses. SAEW with 80 or 100 mg/L of ACC showed significantly higher efficacy than povidone iodine for total aerobic bacteria, staphylococci, coliforms, or yeasts and moulds on the floor and feed trough surfaces (P conveyor belt. Results suggest that SAEW exerts a higher or equivalent bactericidal efficiency for the surfaces compared to povidone iodine, and it may be used as an effective alternative for reducing microbial contamination on surfaces in layer houses. © 2015 Poultry Science Association Inc.

  14. 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.

  15. Surface formation, preservation, and history of low-porosity crusts at the WAIS Divide site, West Antarctica

    Science.gov (United States)

    Fegyveresi, John M.; Alley, Richard B.; Muto, Atsuhiro; Orsi, Anaïs J.; Spencer, Matthew K.

    2018-01-01

    Observations at the West Antarctic Ice Sheet (WAIS) Divide site show that near-surface snow is strongly altered by weather-related processes such as strong winds and temperature fluctuations, producing features that are recognizable in the deep ice core. Prominent glazed surface crusts develop frequently at the site during summer seasons. Surface, snow pit, and ice core observations made in this study during summer field seasons from 2008-2009 to 2012-2013, supplemented by automated weather station (AWS) data with short- and longwave radiation sensors, revealed that such crusts formed during relatively low-wind, low-humidity, clear-sky periods with intense daytime sunshine. After formation, such glazed surfaces typically developed cracks in a polygonal pattern likely from thermal contraction at night. Cracking was commonest when several clear days occurred in succession and was generally followed by surface hoar growth; vapor escaping through the cracks during sunny days may have contributed to the high humidity that favored nighttime formation of surface hoar. Temperature and radiation observations show that daytime solar heating often warmed the near-surface snow above the air temperature, contributing to upward mass transfer, favoring crust formation from below, and then surface hoar formation. A simple surface energy calculation supports this observation. Subsequent examination of the WDC06A deep ice core revealed that crusts are preserved through the bubbly ice, and some occur in snow accumulated during winters, although not as commonly as in summertime deposits. Although no one has been on site to observe crust formation during winter, it may be favored by greater wintertime wind packing from stronger peak winds, high temperatures and steep temperature gradients from rapid midwinter warmings reaching as high as -15 °C, and perhaps longer intervals of surface stability. Time variations in crust occurrence in the core may provide paleoclimatic information

  16. Preparation and surface active properties of a-acyloxysuccinic acid derivatives from malic acid and fatty acids of crude rice bran oil

    Directory of Open Access Journals (Sweden)

    El-Sawy, A. A.

    2000-10-01

    Full Text Available Surface active compounds were prepared from malic acid by esterification with acyl chloride (IIa-d, of [palmitic, stearic, oleic, linoleic and mixed fatty acids of rice bran oil (RBO (IIe], in the presence of pyridine as catalyst, forming (IIIa-e ,  which are  converted to anionic disodium salt (IVa-e . The prepared a-acyl-oxysuccinic acid derivatives (IIIa-e was oxypropenoxylated with various moles of propylene oxide (n= 2, 4, 6 and 8 to give (V-IXa-d . These compounds were converted to nonionic surfactants with two terminal amide oxime groups  (XV-XIXa-d as molecular aggregations and surface active agents in aqueous media. The structures were confirmed by micro analysis, IR and 1H NMR spectra. The surface active properties of the prepared compounds revealed excellent results.Se han preparado compuestos de tensión superficial a partir de ácido málico por esterificación con cloruro de acilo (IIa-d de [palmítico, esteárico, oleico, linoleico y ácidos grasos mezclados de aceite de gérmen de arroz (RBO (IIe], en presencia de piridina como catalizador, formando (IIIa-e, los cuales son convertidos a sales disódicas aniónicas (IVa-e. El derivado del ácido a-acil-oxisuccínico preparado (IIIa-e fue oxipropenoxilado con varios moles de óxido de propileno (n=2, 4, 6 y 8 para dar (V-IXa-d. Estos compuestos fueron convertidos en tensioactivos no iónicos con dos grupos amida oxima terminal (XV-XIXa-d como agregaciones moleculares y agentes tensioactivos en medio acuoso. Las estructuras se confirmaron por microanálisis, IR y espectros de 1H NMR. Las propiedades tensioactivas de los compuestos preparados revelaron excelentes resultados.

  17. 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.

  18. Surface wave site characterization at 27 locations near Boston, Massachusetts, including 2 strong-motion stations

    Science.gov (United States)

    Thompson, Eric M.; Carkin, Bradley A.; Baise, Laurie G.; Kayen, Robert E.

    2014-01-01

    microzonation map based on generalized velocity profiles, where the amplifications were computed using Shake (Schnable and others, 1972), along with an assumed input ground motion. The velocities were constrained by only a few local measurements associated with the Central Artery/Tunnel project. The additional VS measurements presented in this report provide a number of benefits. First, these measurements provide improved spatial coverage. Second, the larger sample size provides better constraints on the mean and variance of the VS distribution for each layer, which may be paired with a three-dimensional (3D) model of the stratigraphy to generate one-dimensional (1D) profiles for use in a standard site-response analysis (for example, Britton, 2003). Third, the velocity profiles may also be used, along with a 3D model of the stratigraphy, as input into a 3D simulation of the ground motion to investigate the effects of basin-generated surface waves and the potential focusing of seismic waves.This report begins with a short review of the geology of the study area and the field methods that we used to estimate the velocity profiles. The raw data, processed data, and the interpreted VS profiles are given in appendix 1. Photographs and descriptions of the sites are provided in appendix 2.

  19. BigFoot Leaf Area Index Surfaces for North and South American Sites, 2000-2003

    Data.gov (United States)

    National Aeronautics and Space Administration — The BigFoot project gathered leaf area index (LAI) data for nine EOS Land Validation Sites located from Alaska to Brazil from 2000 to 2003. Each site is...

  20. BigFoot GPP Surfaces for North and South American Sites, 2000-2004

    Data.gov (United States)

    National Aeronautics and Space Administration — The BigFoot project gathered Gross Primary Production (GPP) data for nine EOS Land Validation Sites located from Alaska to Brazil from 2000 to 2004. Each site is...

  1. BigFoot Leaf Area Index Surfaces for North and South American Sites, 2000-2003

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: The BigFoot project gathered leaf area index (LAI) data for nine EOS Land Validation Sites located from Alaska to Brazil from 2000 to 2003. Each site is...

  2. BigFoot Land Cover Surfaces for North and South American Sites, 2000-2003

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: The BigFoot project gathered data for nine EOS Land Validation Sites located from Alaska to Brazil from 2000 to 2003. Each site is representative of one or...

  3. BigFoot NPP Surfaces for North and South American Sites, 2000-2004

    Data.gov (United States)

    National Aeronautics and Space Administration — The BigFoot project gathered Net Primary Production (NPP) data for nine EOS Land Validation Sites located from Alaska to Brazil from 2000 to 2004. Each site is...

  4. BigFoot Land Cover Surfaces for North and South American Sites, 2000-2003

    Data.gov (United States)

    National Aeronautics and Space Administration — The BigFoot project gathered data for nine EOS Land Validation Sites located from Alaska to Brazil from 2000 to 2003. Each site is representative of one or two...

  5. Data Validation Package, December 2015, Groundwater and Surface Water Sampling at the Monument Valley, Arizona, Processing Site March 2016

    Energy Technology Data Exchange (ETDEWEB)

    Tyrrell, Evan [Navarro Research and Engineering, Inc., Oak Ridge, NV (United States); Denny, Angelita [USDOE Office of Legacy Management, Washington, DC (United States)

    2016-03-23

    Fifty-two groundwater samples and one surface water sample were collected at the Monument Valley, Arizona, Processing Site to monitor groundwater contaminants for evaluating the effectiveness of the proposed compliance strategy as specified in the 1999 Final Site Observational Work Plan for the UMTRA Project Site at Monument Valley, Arizona. 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, http://energy.gov/lm/downloads/sampling-and-analysis-plan-us-department- energy-office-legacy-management-sites). Samples were collected for metals, anions, nitrate + nitrite as N, and ammonia as N analyses at all locations.

  6. In vivo blood lactic acid monitoring using microdialysis and surface-enhanced Raman spectroscopy

    Science.gov (United States)

    Hsu, Po-Hsiang; Tsai, Tung-Hu; Chiang, Huihua Kenny

    2008-08-01

    Blood lactic acid concentration is an important indicator for physiological functions. To develop a rapid and sensitive measurement technique for monitoring blood lactic acid may provide a useful tool in clinical diagnosis. We proposed to develop a microdialysis surface-enhanced Raman spectroscopy (microdialysis-SERS) approach to filter/reduce interference from other large metabolites in blood and enhance the detection sensitivity for blood lactic acid. In this study, a microdialysis probe was constructed using 13 kDa cut-off dialysis membrane. The dialysate was mixed with 50 nm Ag colloidal nanoparticles automatically in a micro-fluid chamber for SERS detection under blood microdialysis of Sprague-Dawley rat. The linear range of SERS-lactic acid measurement is 10-5~3x10-4 M with R2 value of 0.99. The optimal mixing flow rate of nanoparticles is 18 μl/min under microdialysis at constant flow rate (2 μl/min). Real time lactic acid monitoring in vivo also has been demonstrated using microdialysis-SERS system.

  7. Optimization of enzymatic esterification of dihydrocaffeic acid with hexanol in ionic liquid using response surface methodology.

    Science.gov (United States)

    Gholivand, Somayeh; Lasekan, Ola; Tan, Chin Ping; Abas, Faridah; Wei, Leong Sze

    2017-05-26

    Developing an efficient lipophilization reaction system for phenolic derivatives could enhance their applications in food processing. Low solubility of phenolic acids reduces the efficiency of phenolic derivatives in most benign enzyme solvents. The conversion of phenolic acids through esterification alters their solubility and enhances their use as food antioxidant additives as well as their application in cosmetics. This study has shown that lipase-catalyzed esterification of dihydrocaffeic acid with hexanol in ionic liquid (1-butyl-3-methylimidazoliumbis (trifluoromethylsulfonyl) imide) was the best approach for esterification reaction. In order to achieve the maximum yield, the process was optimized by response surface methodology (RSM) based on a five-level and four independent variables such as: dosage of enzyme; hexanol/dihydrocaffeic acid mole ratio; temperature and reaction time. The optimum esterification condition (Y = 84.4%) was predicted to be obtained at temperature of 39.4 °C, time of 77.5 h dosage of enzyme at 41.6% and hexanol/dihydrocaffeic acid mole ratio of 2.1. Finally, this study has produced an efficient enzymatic esterification method for the preparation of hexyl dihydrocaffeate in vitro using a lipase in an ionic liquid system. Concentration of hexanol was the most significant (p < 0.05) independent variable that influenced the yield of hexyl dihydrocaffeate. Graphical abstract Synthesis of different Hexyl dihydrocaffeates in ionic liquid.

  8. Influence of ozone precursors and particulate matter on the variation of surface ozone at an urban site of Delhi, India

    Directory of Open Access Journals (Sweden)

    Ashima Sharma

    2016-03-01

    Full Text Available Continuous measurements of surface O3 and its precursors (NO, NO2, CO, CH4 and NMHCs at an urban site of Delhi, India during January 2012 to December 2013 are presented. In the present study, the annual average mixing ratios of surface O3, NO, NO2, CO, CH4 and NMHC were 30 ± 6 ppb, 24 ± 6 ppb, 15 ± 4 ppb, 1.5 ± 0.4 ppm, 2.4 ± 0.4 ppm and 0.4 ± 0.1 ppm, respectively. The maximum average mixing ratios of surface O3, NO and NO2 were observed during the summer, whereas, the minimum average mixing ratios of ambient NO and NO2 were during monsoon seasons. The surface O3, NO and NO2 have shown the prominent diurnal variations during all the seasons at the observational site of Delhi. The result reveals that the surface O3 was negatively correlated with NOx and CO during the study. The linear scatter plot analysis shows that the PM2.5 and PM10 present in the ambient air of Delhi influence the production of surface O3 at observational site.

  9. Modification of the cellulosic component of hemp fibers using sulfonic acid derivatives: Surface and thermal characterization.

    Science.gov (United States)

    George, Michael; Mussone, Paolo G; Bressler, David C

    2015-12-10

    The aim of this study was to characterize the surface, morphological, and thermal properties of hemp fibers treated with two commercially available, inexpensive, and water soluble sulfonic acid derivatives. Specifically, the cellulosic component of the fibers were targeted, because cellulose is not easily removed during chemical treatment. These acids have the potential to selectively transform the surfaces of natural fibers for composite applications. The proposed method proceeds in the absence of conventional organic solvents and high reaction temperatures. Surface chemical composition and signature were measured using gravimetric analysis, X-ray photoelectron spectroscopy (XPS) and Fourier transform infra-red spectroscopy (FTIR). XPS data from the treated hemp fibers were characterized by measuring the reduction in O/C ratio and an increase in abundance of the C-C-O signature. FTIR confirmed the reaction with the emergence of peaks characteristic of disubstituted benzene and amino groups. Grafting of the sulfonic derivatives resulted in lower surface polarity. Thermogravimetric analysis revealed that treated fibers were characterized by lower percent degradation between 200 and 300 °C, and a higher initial degradation temperature. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Characteristics of Surface Ozone in Agra, a Sub-urban site in Indo ...

    Indian Academy of Sciences (India)

    65

    (2003) conducted their study at the high altitude site of Mt. ..... 247 other sites in India, ozone followed different diurnal and seasonal variations. At the high altitude. 248 site in Nainital (Sarangi et al., 2014), highest monthly mean (62 ..... meteorology on temporal evolution of O3 at a tropical location in northeast India; Environ.

  11. Multi-method Near-surface Geophysical Surveys for Site Response and Earthquake Damage Assessments at School Sites in Washington, USA

    Science.gov (United States)

    Cakir, R.; Walsh, T. J.; Norman, D. K.

    2017-12-01

    We, Washington Geological Survey (WGS), have been performing multi-method near surface geophysical surveys to help assess potential earthquake damage at public schools in Washington. We have been conducting active and passive seismic surveys, and estimating Shear-wave velocity (Vs) profiles, then determining the NEHRP soil classifications based on Vs30m values at school sites in Washington. The survey methods we have used: 1D and 2D MASW and MAM, P- and S-wave refraction, horizontal-to-vertical spectral ratio (H/V), and 2ST-SPAC to measure Vs and Vp at shallow (0-70m) and greater depths at the sites. We have also run Ground Penetrating Radar (GPR) surveys at the sites to check possible horizontal subsurface variations along and between the seismic survey lines and the actual locations of the school buildings. The seismic survey results were then used to calculate Vs30m for determining the NEHRP soil classifications at school sites, thus soil amplification effects on the ground motions. Resulting shear-wave velocity profiles generated from these studies can also be used for site response and liquefaction potential studies, as well as for improvement efforts of the national Vs30m database, essential information for ShakeMap and ground motion modeling efforts in Washington and Pacific Northwest. To estimate casualties, nonstructural, and structural losses caused by the potential earthquakes in the region, we used these seismic site characterization results associated with structural engineering evaluations based on ASCE41 or FEMA 154 (Rapid Visual Screening) as inputs in FEMA Hazus-Advanced Engineering Building Module (AEBM) analysis. Compelling example surveys will be presented for the school sites in western and eastern Washington.

  12. Manipulating poly(lactic acid) surface morphology by solvent-induced crystallization

    Science.gov (United States)

    Gao, Jian; Duan, Lingyan; Yang, Guanghui; Zhang, Qin; Yang, Mingbo; Fu, Qiang

    2012-11-01

    Here, we report some unique crystalline morphologies of poly(lactic acid) (PLA) via organic solvent-induced crystallization. It was revealed that the surface morphology of PLA can be fine tuned by simply varying the volume ratio of a mixed solvent (acetone/ethanol). By increasing the ethanol content in the mixed solvent, we observed a morphological evolution of PLA surface from spherulite to shish-kebab and bamboo-cage-like structure. It was also interesting to find that the initial surface structure of PLA plays an important role to determine the final solvent-induced crystalline morphology. This work provides a new method for manipulating PLA crystal morphology through a simple solvent-induced crystallization.

  13. Surface Functionalization of Piezoelectric Aluminum Nitride with Selected Amino Acid and Peptides

    Science.gov (United States)

    Chan, Edmund Ho Man

    In the present contribution, we elaborate on the covalent attachment of the amino acid cysteine and selected cysteine-bearing peptides, in aqueous buffered media, onto AlN surfaces modified with adlayers of one of our homemade bifunctional alkyltrichlorosilane cross-linking molecules bearing the benzenethiosulfonate head group. Surface characterizations confirmed the successful covalent immobilization of cysteine in buffered media, whereas the attachment of the peptides proved to be difficult as the undesired partial destruction of the adlayer on AlN by hydrolysis in aqueous/buffered solvent systems, which was confirmed in a separate study, appeared to have interfered with the covalent attachment and resulted in one of the peptides failing to immobilize. Future directions from this will focus on optimizing the solvent conditions for the cysteine/peptide immobilizations and the implementation of the surface chemistry to the covalent functionalization of AlN with biologically significant protein fragments, among them the antigen-binding fragment of antibodies.

  14. Relation between acid back-diffusion and luminal surface hydrophobicity in canine gastric mucosa: Effects of salicylate and prostaglandin

    International Nuclear Information System (INIS)

    Goddard, P.J.

    1989-01-01

    The stomach is thought to be protected from luminal acid by a gastric mucosal barrier that restricts the diffusion of acid into tissue. This study tested the hypothesis that the hydrophobic luminal surface of canine gastric mucosa incubated in Ussing chambers, impedes the back-diffusion of luminal acid into the tissue. Isolated sheets of mucosa were treated with cimetidine to inhibit spontaneous acid secretion, and incubated under conditions that prevented significant secretion of luminal bicarbonate. By measuring acid loss from the luminal compartment using the pH-stat technique, acid back-diffusion was continuously monitored; potential difference (PD) was measured as an index of tissue viability. Tissue luminal surface hydrophobicity was estimated by contact angle analysis at the end of each experiment. Addition of 16,16-dimethyl prostaglandin E 2 to the nutrient compartment enhanced luminal surface hydrophobicity, but did not reduce acid back-diffusion in tissues that maintained a constant PD. 10 mM salicylate at pH 4.00 in the luminal compartment reduced surface hydrophobicity, but this decrease did not occur if 1 ug/ml prostaglandin was present in the nutrient solution. Despite possessing relatively hydrophilic and relatively hydrophobic surface properties, respectively, acid back-diffusion in the absence of salicylate was not significantly different between these two groups. Neither group maintained a PD after incubation with salicylate. Lastly, radiolabeled salicylate was used to calculate the free (non-salicylate associated) acid loss in tissues incubated with salicylate and/or prostaglandin. No significant correlation was found between free acid back-diffusion and luminal surface hydrophobicity. These data do not support the hypothesis that acid back-diffusion in impeded by the hydrophobic surface presented by isolated canine gastric mucosa

  15. Folic acid functionalized surface highlights 5-methylcytosine-genomic content within circulating tumor cells

    KAUST Repository

    Malara, Natalia

    2014-07-01

    Although the detection of methylated cell free DNA represents one of the most promising approaches for relapse risk assessment in cancer patients, the low concentration of cell-free circulating DNA constitutes the biggest obstacle in the development of DNA methylation-based biomarkers from blood. This paper describes a method for the measurement of genomic methylation content directly on circulating tumor cells (CTC), which could be used to deceive the aforementioned problem. Since CTC are disease related blood-based biomarkers, they result essential to monitor tumor\\'s stadiation, therapy, and early relapsing lesions. Within surface\\'s bio-functionalization and cell\\'s isolation procedure standardization, the presented approach reveals a singular ability to detect high 5-methylcytosine CTC-subset content in the whole CTC compound, by choosing folic acid (FA) as transducer molecule. Sensitivity and specificity, calculated for FA functionalized surface (FA-surface), result respectively on about 83% and 60%. FA-surface, allowing the detection and characterization of early metastatic dissemination, provides a unique advance in the comprehension of tumors progression and dissemination confirming the presence of CTC and its association with high risk of relapse. This functionalized surface identifying and quantifying high 5-methylcytosine CTC-subset content into the patient\\'s blood lead significant progress in cancer risk assessment, also providing a novel therapeutic strategy.© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Acid-base surface properties of glass-ionomers determined by IGC

    Energy Technology Data Exchange (ETDEWEB)

    Voelkel, A. [Faculty of Chemical Technology, Poznan University of Technology, Pl. M. SkIodowskiej-Curie 2, 60-965 Poznan (Poland)]. E-mail: Adam.Voelkel@put.poznan.pl; Andrzejewska, E. [Faculty of Chemical Technology, Poznan University of Technology, Pl. M. SkIodowskiej-Curie 2, 60-965 Poznan (Poland); Limanowska-Shaw, H. [Department of Biomaterials and Experimental Dentistry, Karol Marcinkowski University of Medical Sciences, Rokietnicka 5D, 60-806 Poznan (Poland); Andrzejewski, M. [Faculty of Chemical Technology, Poznan University of Technology, Pl. M. SkIodowskiej-Curie 2, 60-965 Poznan (Poland)

    2005-05-30

    Summary: The surface properties of several glass-ionomer restorative dental materials (GC Fuji, Chemadent G-J, Ketac Fil and Ketac Molar) were investigated by means of inverse gas chromatography. The capacity of the surface of glass-ionomers to undergo specific interactions was expressed using the specific component of free energy {delta}G {sup s} as well as the parameters K {sub A} and K {sub D} to describe the ability of the cement to act both as an electron acceptor and an electron donor, respectively. The character of the examined surface was expressed with the use of the S {sub C} parameter. All these parameters were determined with a high degree of precision. It was found that the surface of glass-ionomer cements had a well-marked acidic character. The ability of the cement surface to take part in specific interactions differed with the various types of commercial products. The surface activity of the glass-ionomers investigated changed with the storage time (up to 6 months) indicating an on-going setting reaction.

  17. Acid base surface properties of glass-ionomers determined by IGC

    Science.gov (United States)

    Voelkel, A.; Andrzejewska, E.; Limanowska-Shaw, H.; Andrzejewski, M.

    2005-05-01

    SummaryThe surface properties of several glass-ionomer restorative dental materials (GC Fuji, Chemadent G-J, Ketac Fil and Ketac Molar) were investigated by means of inverse gas chromatography. The capacity of the surface of glass-ionomers to undergo specific interactions was expressed using the specific component of free energy Δ Gs as well as the parameters KA and KD to describe the ability of the cement to act both as an electron acceptor and an electron donor, respectively. The character of the examined surface was expressed with the use of the SC parameter. All these parameters were determined with a high degree of precision. It was found that the surface of glass-ionomer cements had a well-marked acidic character. The ability of the cement surface to take part in specific interactions differed with the various types of commercial products. The surface activity of the glass-ionomers investigated changed with the storage time (up to 6 months) indicating an on-going setting reaction.

  18. Acid-base surface properties of glass-ionomers determined by IGC

    International Nuclear Information System (INIS)

    Voelkel, A.; Andrzejewska, E.; Limanowska-Shaw, H.; Andrzejewski, M.

    2005-01-01

    Summary: The surface properties of several glass-ionomer restorative dental materials (GC Fuji, Chemadent G-J, Ketac Fil and Ketac Molar) were investigated by means of inverse gas chromatography. The capacity of the surface of glass-ionomers to undergo specific interactions was expressed using the specific component of free energy ΔG s as well as the parameters K A and K D to describe the ability of the cement to act both as an electron acceptor and an electron donor, respectively. The character of the examined surface was expressed with the use of the S C parameter. All these parameters were determined with a high degree of precision. It was found that the surface of glass-ionomer cements had a well-marked acidic character. The ability of the cement surface to take part in specific interactions differed with the various types of commercial products. The surface activity of the glass-ionomers investigated changed with the storage time (up to 6 months) indicating an on-going setting reaction

  19. The Acid-Base Properties and Chemical Composition of the Surface of the InSb-ZnTe System

    Science.gov (United States)

    Kirovskaya, I. A.; Shubenkova, E. G.; Timoshenko, O. T.; Filatova, T. N.

    2008-04-01

    The acid-base properties and chemical composition of the surface of solid solutions and binary components of the InSb-ZnTe system were studied by the hydrolytic adsorption, nonaqueous conductometric titration, mechanochemistry, IR spectroscopy, and mass spectrometry methods. The strength, nature, and concentration of acid centers were determined. Changes in the concentration of acid centers caused by surface exposure to CO and changes in the composition of the system were also studied. The mechanism of acid-base interactions was established. The chemical composition of the surface of system components exposed to air included adsorbed H2O molecules, OH- groups, hydrocarbon and oxocarbon compounds, and the products of surface atom oxidation. After thermal treatment in a vacuum, the composition of the surface approached the stoichiometric composition.

  20. Sulfur amino acids and alanine on pyrite (100) by X-ray photoemission spectroscopy: Surface or molecular role?

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Arenillas, M.; Galvez-Martinez, S.; Mateo-Marti, E., E-mail: mateome@cab.inta-csic.es

    2017-08-31

    Highlights: • Surface annealing pretreatment on pyrite surfaces can select molecular adsorption. • Enriched monosulfide species on pyrite (100) surface favors NH{sub 2} adsorption form. • Enriching disulfide species on pyrite (100) surface promotes NH{sub 3}{sup +} adsorption form. • Unique structure of each aminoacid provides a particular fingerprint in the process. • Spectroscopy evidence, pretreatment surface processes drives molecular adsorption. - Abstract: This paper describes the first successful adsorption of the cysteine, cystine, methionine and alanine amino acids on the pyrite (100) surface under ultra-high vacuum conditions with crucial chemical adsorption parameters driving the process. We have demonstrated by X-ray photoemission spectroscopy (XPS) that the surface pretreatment annealing process on pyrite surfaces is a critical parameter driving surface reactivity. The presence of enriched monosulfide species on the pyrite (100) surface favours the amino acid NH{sub 2} chemical form, whereas a longer annealing surface pretreatment of over 3 h repairs the sulfur vacancies in the pyrite, enriching disulfide species on the pyrite surface, which promotes NH{sub 3}{sup +} adsorption due to the sulfur vacancies in the pyrite being replaced by sulfur atom dimers (S{sub 2}{sup 2−}) on the surface. Furthermore, even if the surface chemistry (monosulfide or disulfide species enrichment) is the main factor promoting a partial conversion from NH{sub 2} to NH{sub 3}{sup +} species, the unique chemical structure of each amino acid provides a particular fingerprint in the process.

  1. Acid Aging Effects on Surfaces of PTFE Gaskets Investigated by Fourier Transform Infrared Spectroscopy

    Directory of Open Access Journals (Sweden)

    L. Giorgini

    2016-09-01

    Full Text Available This paper investigates the effect of a prolonged acid and thermal attack, on the surface of PTFE by Fourier Transform Infrared Micro-Spectroscopy (FT-IR. The materials are commercialized by two alternative producers in form of Teflon tapes. These tapes are installed in process plants where tires moulds are cleaned inside a multistage ultrasonic process. In these cases, Teflon tapes, having a role of gaskets, show inexplicably phenomena of degradation in relatively short operation periods. Even considering that these gaskets are exposed to the combined effect of ultrasonic waves, temperature, humidity and acid attack, the PTFE properties of resistance nominally exclude the possibility of these severe erosion phenomena. An interesting explanation can be related to the potential presence in the cleaning solution, mainly based on sulfamic acid, of highly reactive chemical compounds, as chlorides and fluorides, originated by the disaggregation of elements from the tire composition and/or additives used as processing aids and/or by catalytic effect generated by fluorine produced by PTFE degradation. In general, up to 300 different chemical elements, both organic and inorganic, natural and synthetic, are merged in a tire. Since this composition is practically unknown, especially regarding additives and “unusual elements”, representing a secrecy of each tire manufactures, it is really complex to define the chemical composition of the cleaning solution with an appropriate precision. As a consequence, the gaskets have been treated with different mixtures of acids in the way to combine a larger range of possibilities. Thus, the FT-IR experimental characterization of PTFE surface properties followed an appropriate accelerated aging, aiming at actuating the specific mechanics of wearing as in industrial use. The different acid treatments adopted for accelerating the aging of gaskets have highlighted the different behaviour of the PTFE matrix, but

  2. Surface monitoring of microseismicity at the Decatur, Illinois, CO2 sequestration demonstration site

    Science.gov (United States)

    Kaven, Joern; Hickman, Stephen H.; McGarr, Arthur F.; Ellsworth, William L.

    2015-01-01

    Sequestration of CO2 into subsurface reservoirs can play an important role in limiting future emission of CO2 into the atmosphere (e.g., Benson and Cole, 2008). For geologic sequestration to become a viable option to reduce greenhouse gas emissions, large-volume injection of supercritical CO2 into deep sedimentary formations is required. These formations offer large pore volumes and good pore connectivity and are abundant (Bachu, 2003; U.S. Geological Survey Geologic Carbon Dioxide Storage Resources Assessment Team, 2013). However, hazards associated with injection of CO2 into deep formations require evaluation before widespread sequestration can be adopted safely (Zoback and Gorelick, 2012). One of these hazards is the potential to induce seismicity on pre-existing faults or fractures. If these faults or fractures are large and critically stressed, seismic events can occur with magnitudes large enough to pose a hazard to surface installations and, possibly more critical, the seal integrity of the cap rock. The Decatur, Illinois, carbon capture and storage (CCS) demonstration site is the first, and to date, only CCS project in the United States that injects a large volume of supercritical CO2 into a regionally extensive, undisturbed saline formation. The first phase of the Decatur CCS project was completed in November 2014 after injecting a million metric tons of supercritical CO2 over three years. This phase was led by the Illinois State Geological Survey (ISGS) and included seismic monitoring using deep borehole sensors, with a few sensors installed within the injection horizon. Although the deep borehole network provides a more comprehensive seismic catalog than is presented in this paper, these deep data are not publically available. We contend that for monitoring induced microseismicity as a possible seismic hazard and to elucidate the general patterns of microseismicity, the U.S. Geological Survey (USGS) surface and shallow borehole network described below

  3. Streptococcal phosphoenolpyruvate-sugar phosphotransferase system: amino acid sequence and site of ATP-dependent phosphorylation of HPr

    International Nuclear Information System (INIS)

    Deutscher, J.; Pevec, B.; Beyreuther, K.; Kiltz, H.H.; Hengstenberg, W.

    1986-01-01

    The amino acid sequence of histidine-containing protein (HPr) from Streptococcus faecalis has been determined by direct Edman degradation of intact HPr and by amino acid sequence analysis of tryptic peptides, V8 proteolyptic peptides, thermolytic peptides, and cyanogen bromide cleavage products. HPr from S. faecalis was found to contain 89 amino acid residues, corresponding to a molecular weight of 9438. The amino acid sequence of HPr from S. faecalis shows extended homology to the primary structure of HPr proteins from other bacteria. Besides the phosphoenolpyruvate-dependent phosphorylation of a histidyl residue in HPr, catalyzed by enzyme I of the bacterial phosphotransferase system, HPr was also found to be phosphorylated at a seryl residue in an ATP-dependent protein kinase catalyzed reaction. The site of ATP-dependent phosphorylation in HPr of S faecalis has now been determined. [ 32 P]P-Ser-HPr was digested with three different proteases, and in each case, a single labeled peptide was isolated. Following digestion with subtilisin, they obtained a peptide with the sequence -(P)Ser-Ile-Met-. Using chymotrypsin, they isolated a peptide with the sequence -Ser-Val-Asn-Leu-Lys-(P)Ser-Ile-Met-Gly-Val-Met-. The longest labeled peptide was obtained with V8 staphylococcal protease. According to amino acid analysis, this peptide contained 36 out of the 89 amino acid residues of HPr. The following sequence of 12 amino acid residues of the V8 peptide was determined: -Tyr-Lys-Gly-Lys-Ser-Val-Asn-Leu-Lys-(P)Ser-Ile-Met-. Thus, the site of ATP-dependent phosphorylation was determined to be Ser-46 within the primary structure of HPr

  4. Streptococcal phosphoenolpyruvate-sugar phosphotransferase system: amino acid sequence and site of ATP-dependent phosphorylation of HPr

    Energy Technology Data Exchange (ETDEWEB)

    Deutscher, J.; Pevec, B.; Beyreuther, K.; Kiltz, H.H.; Hengstenberg, W.

    1986-10-21

    The amino acid sequence of histidine-containing protein (HPr) from Streptococcus faecalis has been determined by direct Edman degradation of intact HPr and by amino acid sequence analysis of tryptic peptides, V8 proteolyptic peptides, thermolytic peptides, and cyanogen bromide cleavage products. HPr from S. faecalis was found to contain 89 amino acid residues, corresponding to a molecular weight of 9438. The amino acid sequence of HPr from S. faecalis shows extended homology to the primary structure of HPr proteins from other bacteria. Besides the phosphoenolpyruvate-dependent phosphorylation of a histidyl residue in HPr, catalyzed by enzyme I of the bacterial phosphotransferase system, HPr was also found to be phosphorylated at a seryl residue in an ATP-dependent protein kinase catalyzed reaction. The site of ATP-dependent phosphorylation in HPr of S faecalis has now been determined. (/sup 32/P)P-Ser-HPr was digested with three different proteases, and in each case, a single labeled peptide was isolated. Following digestion with subtilisin, they obtained a peptide with the sequence -(P)Ser-Ile-Met-. Using chymotrypsin, they isolated a peptide with the sequence -Ser-Val-Asn-Leu-Lys-(P)Ser-Ile-Met-Gly-Val-Met-. The longest labeled peptide was obtained with V8 staphylococcal protease. According to amino acid analysis, this peptide contained 36 out of the 89 amino acid residues of HPr. The following sequence of 12 amino acid residues of the V8 peptide was determined: -Tyr-Lys-Gly-Lys-Ser-Val-Asn-Leu-Lys-(P)Ser-Ile-Met-. Thus, the site of ATP-dependent phosphorylation was determined to be Ser-46 within the primary structure of HPr.

  5. New insights into Cu/SSZ-13 SCR catalyst acidity. Part I: Nature of acidic sites probed by NH 3 titration

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Jinyong; Gao, Feng; Kamasamudram, Krishna; Currier, Neal; Peden, Charles H. F.; Yezerets, Aleksey

    2017-04-01

    In this work we investigated an unusual acidity feature of a Cu/SSZ-13 catalyst used in selective catalytic reduction of NOx with NH3 (NH3-SCR). In particular, this catalyst showed two distinct NH3 desorption peaks in NH3-TPD measurements, in contrast to single, unresolved desorption peaks observed for other Cu-exchanged zeolites conventionally used in the SCR studies, including its isostructural but chemically different analogue Cu/SAPO-34. We further observed that the intensities of the two TPD peaks, which represented the amount of stored NH3, changed in opposite directions in response to progressive mild hydrothermal aging, while the total storage capacity was preserved. We proposed an explanation for this remarkable behavior, by using model reference samples and additional characterization techniques. At least three NH3 storage sites were identified: two distinct populations of Cu sites responsible for low-temperature NH3 storage, and Brønsted acid sites responsible for high-temperature NH3 storage. Contrary to the commonly accepted mechanism that Brønsted acid site loss during hydrothermal aging is driven by dealumination, we concluded that the decline in the number of Brønsted acid sites upon mild hydrothermal aging for Cu/SSZ-13 was not due to dealumination, but rather transformation of Cu sites, i.e., gradual conversion of ZCuOH (Cu2+ singly coordinated with Zeolite) to Z2Cu (Cu2+ doubly coordinated with Zeolite). This transformation was responsible for the increased low-temperature desorption peak in NH3-TPD since each ZCuOH adsorbed ~1 NH3 molecule while each Z2Cu adsorbed ~2 NH3 molecules under the conditions used here. These findings were used in Part II of this series of studies to develop a method for quantifying hydrothermal ageing of industrial Cu/SSZ-13 SCR catalysts. Authors would like to thank Randall Jines for his help with collecting the reactor data, Nancy W. Washton for measuring the NMR data and Tamas Varga for in-situ XRD measurements

  6. Acid Etching as Surface Treatment Method for Luting of Glass-Ceramic Restorations, part 1: Acids, Application Protocol and Etching Effectiveness

    Directory of Open Access Journals (Sweden)

    Emilija Barjaktarova-Valjakova

    2018-03-01

    CONCLUSION: Acid etching of the bonding surface of glass - ceramic restorations is considered as the most effective treatment method that provides a reliable bond with composite cement. Selective removing of the glassy matrix of silicate ceramics results in a micromorphological three-dimensional porous surface that allows micromechanical interlocking of the luting composite.

  7. Ab-Initio Modelling Of Surface Site Reactivity And Fluid Transport In Clay Minerals Case Study: Pyrophyllite

    International Nuclear Information System (INIS)

    Churakov, S.V.

    2005-01-01

    Pyrophyllite, Al 2 [Si 4 O 10 ](OH) 2 , is the simplest structural prototype for 2:1 dioctahedral phyllosilicate. Because the net electric charge in pyrophyllite is zero, it is the best candidate for investigating the non electrostatic contribution to sorption and transport phenomena in clays. Using ab-initio simulations, we have investigated the reactivity and structure of the water-solid interface on the basal plane and edge sites of pyrophyllite. The calculations predict slightly hydrophobic behaviour of the basal plane. For the high water coverage (100), (110) and (-110), lateral facets have a lower energy than for the (010), (130) and (-130) surfaces. Analysis of the surface reactivity reveals that the =Al-OH groups are most easily protonated on the (010), (130) and (-130) facets. The =Al-O-Si= sites will be protonated on the (100), (130), (110), (-110) and (-130) surfaces. The =Al-OH 2 complexes are more easily de-protonated than the =Si-OH and =Al-OH sites. A spontaneous, reversible exchange of the protons between the solution and the edge sites has been observed in ab-initio molecular dynamics simulations at 300 K. Such near-surface proton diffusion may result in a significant contribution to the diffusion coefficients measured in neutron scattering experiments. (author)

  8. In situ soil temperature and heat flux measurements during controlled surface burns at a southern Colorado forest site

    Science.gov (United States)

    W. J. Massman; J. M. Frank; W. D. Shepperd; M. J. Platten

    2003-01-01

    This study presents in situ soil temperature measurements at 5-6 depths and heat flux measurements at 2-5 depths obtained during the fall/winter of 2001/ 2002 at seven controlled (surface) fires within a ponderosa pine forest site at the Manitou Experimental Forest in central Colorado. Six of these burns included three different (low, medium, and high) fuel loadings...

  9. Acidic deposition: State of science and technology. Report 9. Current status of surface-water acid-base chemistry. Final report

    International Nuclear Information System (INIS)

    Baker, L.A.; Kaufmann, P.R.; Brakke, D.F.; Herlihy, A.T.; Eilers, J.M.

    1990-09-01

    The report is based largely upon the National Surface Water Survey (NSWS), augmented by numerous smaller state and university surveys and many detailed watershed studies. In describing the current status of surface waters, the authors go far beyond the description of population statistics, although some of this is necessary, and direct their attention to the interpretation of these data. They address the question of the sources of acidity to surface waters in order to determine the relative importance of acidic deposition compared with other sources, such as naturally produced organic acids and acid mine drainage. They also examine in some detail what they call 'high interest' populations-the specific groups of lakes and streams most likely to be impacted by acidic deposition. The authors then turn to the general question of uncertainty, and finally examine low alkalinity surface waters in several other parts of the world to develop further inferences about the acid-base status of surface waters in the United States

  10. Allosteric ligands and their binding sites define γ-aminobutyric acid (GABA) type A receptor subtypes.

    Science.gov (United States)

    Olsen, Richard W

    2015-01-01

    GABAA receptors (GABA(A)Rs) mediate rapid inhibitory transmission in the brain. GABA(A)Rs are ligand-gated chloride ion channel proteins and exist in about a dozen or more heteropentameric subtypes exhibiting variable age and brain regional localization and thus participation in differing brain functions and diseases. GABA(A)Rs are also subject to modulation by several chemotypes of allosteric ligands that help define structure and function, including subtype definition. The channel blocker picrotoxin identified a noncompetitive channel blocker site in GABA(A)Rs. This ligand site is located in the transmembrane channel pore, whereas the GABA agonist site is in the extracellular domain at subunit interfaces, a site useful for low energy coupled conformational changes of the functional channel domain. Two classes of pharmacologically important allosteric modulatory ligand binding sites reside in the extracellular domain at modified agonist sites at other subunit interfaces: the benzodiazepine site and the high-affinity, relevant to intoxication, ethanol site. The benzodiazepine site is specific for certain GABA(A)R subtypes, mainly synaptic, while the ethanol site is found at a modified benzodiazepine site on different, extrasynaptic, subtypes. In the transmembrane domain are allosteric modulatory ligand sites for diverse chemotypes of general anesthetics: the volatile and intravenous agents, barbiturates, etomidate, propofol, long-chain alcohols, and neurosteroids. The last are endogenous positive allosteric modulators. X-ray crystal structures of prokaryotic and invertebrate pentameric ligand-gated ion channels, and the mammalian GABA(A)R protein, allow homology modeling of GABA(A)R subtypes with the various ligand sites located to suggest the structure and function of these proteins and their pharmacological modulation. © 2015 Elsevier Inc. All rights reserved.

  11. [3H] 5,7-dichlorokynurenic acid, a high affinity ligand for the NMDA receptor glycine regulatory site

    International Nuclear Information System (INIS)

    Hurt, S.D.; Baron, B.M.

    1991-01-01

    The NMDA subtype of glutamate receptors is allosterically linked to a strychnine-insensitive glycine regulatory site. Kynurenic acid and its halogenated derivatives are non-competitive NMDA antagonists acting at the glycine site. The authors have prepared [3H] 5,7-dichlorokyrurenic acid (DCKA) as an antagonist radioligand and have characterized its binding. 3-Bromo-5,7-DCKA was catalytically dehalogenated in the presence of tritium gas and HPLC purified to yield [3H] 5,7-DCKA with a specific activity of 17.6 Ci/mmol. [3H] 5,7-DCKA bound to rat brain synaptosomes with a Kd of 69 ± 23 nM and Bmax = 14.5 ± 3.2 pmoles/mg protein. Binding was 65-70% specific at 10 nM [3H] 5,7-DCKA. This ligand is thus more selective and has higher affinity than [3H] glycine, in addition to being an antagonist

  12. High desolvation temperature facilitates the ESI-source H/D exchange at non-labile sites of hydroxybenzoic acids and aromatic amino acids.

    Science.gov (United States)

    Zherebker, Alexander; Kostyukevich, Yury; Kononikhin, Alexey; Roznyatovsky, Vitaliy A; Popov, Igor; Grishin, Yuri K; Perminova, Irina V; Nikolaev, Eugene

    2016-04-21

    Hydrogen/deuterium exchange coupled with high-resolution mass spectrometry has become a powerful analytical approach for structural investigations of complex organic matrices. Here we report the feasibility of the site-specific H/D exchange of non-labile hydrogens directly in the electrospray ionization (ESI) source, which was facilitated by an increase in the desolvation temperature from 200 °C up to 400 °C. We have found that the exchanges at non-labile sites were observed only for the model compounds capable of keto-enol tautomeric transformations (e.g., 2,3-, 2,4-dihydroxybenzoic acids, gallic acid, DOPA), and only when water was used as a solvent. We hypothesized that the detected additional exchanges were induced by the presence of hydroxyls in the sprayed water droplets generated in the negative ESI mode. It was indicative of the exchange reactions taking place in the sprayed droplets rather than in the gas phase. To support this hypothesis, the H/D exchange experiments were run in deuterated water under base-catalyzed conditions for three model compounds, which showed the most intensive exchanges in the MS experiments: DOPA, 2,4-DHB, and 5-acetylsalicylic acid. (2)H NMR spectroscopy has confirmed keto-enolic transformations of the model compounds leading to the specific labeling of the corresponding non-labile sites. We believe that the proposed technique will be useful for structural investigations of natural complex mixtures (e.g. proteins, humic substances) using site-specific H/D exchange.

  13. Surface proton transport of fully protonated poly(aspartic acid) thin films on quartz substrates

    International Nuclear Information System (INIS)

    Nagao, Yuki; Kubo, Takahiro

    2014-01-01

    Graphical abstract: - Highlights: • Proton transport of fully protonated poly(aspartic acid) thin film was investigated. • The thin film structure differed greatly from the partially protonated one. • Proton transport occurs on the surface, not inside of the thin film. • This result contributes to biological transport systems such as bacteriorhodopsin. - Abstract: Thin film structure and the proton transport property of fully protonated poly(aspartic acid) (P-Asp100) have been investigated. An earlier study assessed partially protonated poly(aspartic acid), highly oriented thin film structure and enhancement of the internal proton transport. In this study of P-Asp100, IR p-polarized multiple-angle incidence resolution (P-MAIR) spectra were measured to investigate the thin film structure. The obtained thin films, with thicknesses of 120–670 nm, had no oriented structure. Relative humidity dependence of the resistance, proton conductivity, and normalized resistance were examined to ascertain the proton transport property of P-Asp100 thin films. The obtained data showed that the proton transport of P-Asp100 thin films might occur on the surface, not inside of the thin film. This phenomenon might be related with the proton transport of the biological system

  14. 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 eff....... The results will contribute to optimize electrode preparation with novel nano-carbon catalyst supports and durable catalyst for low temperature (LT) PEMFCs.......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...... efficient, user-friendly and systematic studies based on our earlier experience. In this work, multi-walled carbon nanotubes (MWCNTs) from Showa Denko® and the corresponding acid modified products were explored. The adsorption at low concentration was found to follow a Langmuir isotherm. Adsorption...

  15. Site-specific incorporation of redox active amino acids into proteins

    Energy Technology Data Exchange (ETDEWEB)

    Alfonta, Lital; Schultz, Peter G.; Zhang, Zhiwen

    2017-10-10

    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 redox active amino acids into proteins are provided. Methods for identifying these orthogonal pairs are also provided along with methods of producing proteins with redox active amino acids using these orthogonal pairs.

  16. Site-specific incorporation of redox active amino acids into proteins

    Science.gov (United States)

    Alfonta, Lital [San Diego, CA; Schultz, Peter G [La Jolla, CA; Zhang, Zhiwen [San Diego, CA

    2009-02-24

    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 redox active amino acids into proteins are provided. Methods for identifying these orthogonal pairs are also provided along with methods of producing proteins with redox active amino acids using these orthogonal pairs.

  17. A fundamental approach to adhesion: Synthesis, surface analysis, thermodynamics and mechanics. [acid-base properties of titanium 6-4 surfaces

    Science.gov (United States)

    Siriwardane, R.; Wightman, J. P.

    1980-01-01

    The acid-base properties of titanium 6-4 plates (low surface area) were investigated after three different pretreatments, namely Turco, phosphate-fluoride and Pasa-Jell. A series of indicators was used and color changes were detected using diffuse reflectance visible spectroscopy. Electron spectroscopy for chemical analysis was used to examine the indicator on the Ti 6-4 surface. Specular reflectance infra-red spectroscopy was used to study the adsorption of stearic acid from cyclohexane solutions on the Ti 6-4 surface.

  18. Highly efficient one-step conversion of cyclohexane to adipic acid using single-site heterogeneous catalysts.

    Science.gov (United States)

    Raja, Robert; Thomas, John Meurig; Xu, Mingcan; Harris, Kenneth D M; Greenhill-Hooper, Michael; Quill, Kieran

    2006-01-28

    A solid source of 'active' oxygen (acetylperoxyborate, APB), when dissolved in aqueous solution in the presence of a single-site microporous catalyst containing redox centres (Fe(III)AlPO-31, Mn(III)AlPO-5, Fe(III)AlPO-5), converts cyclohexane with high efficiency (ca. 88%) and exceptionally high selectivity (ca. 81%) to adipic acid at 383 K; this procedure is also effective in converting styrene to styrene oxide and -pinene and (+)-limonene to their corresponding epoxides.

  19. Long-term protective effect of surface sealants against erosive wear by intrinsic and extrinsic acids.

    Science.gov (United States)

    Wegehaupt, Florian J; Tauböck, Tobias T; Sener, Beatrice; Attin, Thomas

    2012-05-01

    To test sealants to prevent erosive tooth wear caused by extrinsic and intrinsic acids under long-term exposition. 144 bovine enamel samples were randomly allocated to twelve groups (1-12). Samples of groups 1, 5 and 9 remained unsealed (positive controls), 2, 6 and 10 were sealed with Silicon Seal Nano Mix and 3, 7 and 11 with Seal&Protect. Groups 4, 8 and 12 were sealed with flowable composite (negative controls). Groups 1-4 were immersed in artificial saliva, 5-8 in hydrochloric acid and groups 9-12 in citric acid for 28 days, respectively. After 1, 2, 4, 7, 11, 14, 21 and 28 days, solutions were renewed and enamel wear was quantified by assignation of (32)P in the solutions. In all immersion solutions, lowest mineral loss was observed for the negative controls whilst highest loss was observed for unsealed positive controls. In artificial saliva and citric acid, the loss from samples sealed with Seal&Protect was not significantly different compared with negative controls whilst loss in groups sealed with Silicon Seal Nano Mix was significantly higher. In hydrochloric acid, loss from samples sealed with Seal&Protect was not different compared with that of negative controls up to 4 days. Except day 1, the mineral loss in the Seal&Protect group was significantly lower compared with that of the Silicon Seal Nano Mix group. The tested resin based surface sealant is able to significantly reduce the erosive demineralisation of enamel caused by hydrochloric and citric acid even under long-term exposition. Copyright © 2012 Elsevier Ltd. All rights reserved.

  20. [Ocular surface acidity and buffering system (by studying the conjunctival sac)].

    Science.gov (United States)

    Avetisov, S É; Safonova, T N; Novikov, I A; Pateiuk, L S; Griboedova, I G

    2014-01-01

    As any mucous membrane the conjunctiva is characterized by a definite pH value which guarantees-physiological functioning of the ocular surface. The most commonly used method of assessment is potentiometric pH measurement with ion-specific glass microelectrodes. The results, however, can be affected by such factors, as conjunctival sac zoning, tissue acidity, epithelial trauma, and reflex tear secretion. Few data and hypotheses are available on mechanisms of maintaining the acid-base balance of the conjunctival sac (bicarbonate buffering system in particular). to study spatial variability of conjunctival tear fluid pH and possible mechanisms of its maintenance using original methods of acidity measurement and mineral content assessment. Tear pH was determined in 42 healthy participants (84 eyes) by means of litmus test strips and computer- aided colorimetry. Electron probe microanalysis in combination with energy dispersive spectrometry was performed in 8 healthy participants (8 eyes, 8 samples). In the group of 42 healthy participants (84 eyes) the pH value of conjunctival tear fluid varied from 6.30 to 7.23 with the average of 6.76 and pH mode 6.74. The pH value of conjunctival mucous discharge was measured in 25 healthy participants (28 eyes) and varied from 7.00 to 8.00 with the average of 7.26 and pH mode 7.30. The main mineral components of tear fluid are chlorine, sodium, potassium, and boron. Borate buffer is regarded as a mechanism of maintaining the acid-base balance of the ocular surface. The developed method of pH measurement ensuresreliable determination of conjunctival sac acidity in accordance with zoning and heterogeneity of its media as well as the complex structure of the tear film. In a healthy population, the acidity of tear significantly differs from that of conjunctival mucous discharge. Soluble chlorine, sodium, potassium, and boron compounds are the prevailing mineral components of tear fluid. Borate buffer appears to be the most stable of

  1. Investigating the parameters affecting the adsorption of amino acids onto AgCl nanoparticles with different surface charges.

    Science.gov (United States)

    Absalan, Ghodratollah; Ghaemi, Maryam

    2012-11-01

    In this paper, adsorption behaviors of typical neutral (alanine), acidic (glutamic acid) and basic (lysine) amino acids onto the surfaces of neutral as well as positively and negatively charged silver chloride nanoparticles were examined. Silver chloride nanoparticles with different charges and diffe