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Sample records for metal binding components

  1. Metal binding by food components

    DEFF Research Database (Denmark)

    Tang, Ning

    for zinc binding by the investigated amino acids, peptides and proteins. The thiol group or imidazole group containing amino acids, peptides and proteins which exhibited strong zinc binding ability were further selected for interacting with zinc salts in relation to zinc absorption. The interactions...... between the above selected food components and zinc citrate or zinc phytate will lead to the enhanced solubility of zinc citrate or zinc phytate. The main driving force for this observed solubility enhancement is the complex formation between zinc and investigated food components as revealed by isothermal...... titration calorimetry and quantum mechanical calculations. This is due to the zinc binding affinity of the relatively softer ligands (investigated food components) will become much stronger than citrate or phytate when they present together in aqueous solution. This mechanism indicates these food components...

  2. H-binding of size- and polarity-fractionated soil and lignite humic acids after removal of metal and ash components

    Science.gov (United States)

    Drosos, Marios; Leenheer, Jerry A.; Avgeropoulos, Apostolos; Deligiannakis, Yiannis

    2014-01-01

    A fractionation technique, combining dialysis removal of metal and ash components with hydrofluoric acid and pH 10 citrate buffer followed by chromatography of dialysis permeate on XAD-8 resin at decreasing pH values, has been applied to lignite humic acid (lignite-HA) and soil humic acid (soil-HA). H-binding data and non ideal competitive adsorption-Donnan model parameters were obtained for the HA fractions by theoretical analysis of H-binding data which reveal a significant increase of the carboxyl and the phenolic charge for the lignite-HA fractions vs. the parental lignite humic acid (LParentalHA). The fractionated lignite-HA material consisted mainly of permeate fractions, some of which were fulvic acid-like. The fractionated soil-HA material consisted mainly of large macromolecular structures that did not permeate the dialysis membrane during deashing. Chargeable groups had comparable concentrations in soil-HA fractions and parental soil humic acid (SParentalHA), indicating minimal interference of ash components with carboxyl and phenolic (and/or enolic) groups. Fractionation of HA, combined with theoretical analysis of H-binding, can distinguish the supramolecular vs. macromolecular nature of fractions within the same parental HA.

  3. Metal ion binding to iron oxides

    Science.gov (United States)

    Ponthieu, M.; Juillot, F.; Hiemstra, T.; van Riemsdijk, W. H.; Benedetti, M. F.

    2006-06-01

    The biogeochemistry of trace elements (TE) is largely dependent upon their interaction with heterogeneous ligands including metal oxides and hydrous oxides of iron. The modeling of TE interactions with iron oxides has been pursued using a variety of chemical models. The objective of this work is to show that it is possible to model the adsorption of protons and TE on a crystallized oxide (i.e., goethite) and on an amorphous oxide (HFO) in an identical way. Here, we use the CD-MUSIC approach in combination with valuable and reliable surface spectroscopy information about the nature of surface complexes of the TE. The other objective of this work is to obtain generic parameters to describe the binding of the following elements (Cd, Co, Cu, Ni, Pb, and Zn) onto both iron oxides for the CD-MUSIC approach. The results show that a consistent description of proton and metal ion binding is possible for goethite and HFO with the same set of model parameters. In general a good prediction of almost all the collected experimental data sets corresponding to metal ion binding to HFO is obtained. Moreover, dominant surface species are in agreement with the recently published surface complexes derived from X-ray absorption spectroscopy (XAS) data. Until more detailed information on the structure of the two iron oxides is available, the present option seems a reasonable approximation and can be used to describe complex geochemical systems. To improve our understanding and modeling of multi-component systems we need more data obtained at much lower metal ion to iron oxide ratios in order to be able to account eventually for sites that are not always characterized in spectroscopic studies.

  4. Immunoglobulin classes, metal binding proteins, and trace metals in ...

    African Journals Online (AJOL)

    , IgA and IgM), metal binding proteins (Transferrin, Caeruloplasmin, Alpha-2- Macroglobulin and Haptoglobin) and nutritionally essential trace metals/heavy metals (Zn, Fe, Se, Cu, Mg, Cd and Pb) in Nigerian cassava processors using single ...

  5. Heavy metals binding properties of esterified lemon

    Energy Technology Data Exchange (ETDEWEB)

    Arslanoglu, Hasan; Altundogan, Hamdi Soner [Department of Chemical Engineering, Firat University, 23279 Elazig (Turkey); Tumen, Fikret, E-mail: ftumen@firat.edu.tr [Department of Chemical Engineering, Firat University, 23279 Elazig (Turkey)

    2009-05-30

    Sorption of Cd{sup 2+}, Cr{sup 3+}, Cu{sup 2+}, Ni{sup 2+}, Pb{sup 2+} and Zn{sup 2+} onto a carboxyl groups-rich material prepared from lemon was investigated in batch systems. The results revealed that the sorption is highly pH dependent. Sorption kinetic data indicated that the equilibrium was achieved in the range of 30-240 min for different metal ions and sorption kinetics followed the pseudo-second-order model for all metals studied. Relative sorption rate of various metal cations was found to be in the general order of Ni{sup 2+} > Cd{sup 2+} > Cu{sup 2+} > Pb{sup 2+} > Zn{sup 2+} > Cr{sup 3+}. The binding characteristics of the sorbent for heavy metal ions were analyzed under various conditions and isotherm data was accurately fitted to the Langmuir equation. The metal binding capacity order calculated from Langmuir isotherm was Pb{sup 2+} > Cu{sup 2+} > Ni{sup 2+} > Cd{sup 2+} > Zn{sup 2+} > Cr{sup 3+}. The mean free energy of metal sorption process calculated from Dubinin-Radushkevich parameter and the Polanyi potential was found to be in the range of 8-11 kJ mol{sup -1} for the metals studied showing that the main mechanism governing the sorption process seems to be ion exchange. The basic thermodynamic parameters of metals ion sorption process were calculated by using the Langmuir constants obtained from equilibration study. The {Delta}G{sup o} and {Delta}H{sup o} values for metals ion sorption on the lemon sorbent showed the process to be spontaneous and exothermic in nature. Relatively low {Delta}H{sup o} values revealed that physical adsorption significantly contributed to the mechanism.

  6. Metal ion binding with dehydroannulenes – Plausible two ...

    Indian Academy of Sciences (India)

    WINTEC

    Theoretical investigations have been carried out at B3LYP/6-311++G** level of theory to study the binding ... Alkali metals; dehydroannulenes; binding energy; penetration barrier. 1. .... can be discriminated from larger metal ions by running.

  7. Ligand-binding sites in human serum amyloid P component

    DEFF Research Database (Denmark)

    Heegaard, N.H.H.; Heegaard, Peter M. H.; Roepstorff, P.

    1996-01-01

    Amyloid P component (AP) is a naturally occurring glycoprotein that is found in serum and basement membranes, AP is also a component of all types of amyloid, including that found in individuals who suffer from Alzheimer's disease and Down's syndrome. Because AP has been found to bind strongly...

  8. Factors Affecting the Binding of a Recombinant Heavy Metal-Binding Domain (CXXC motif Protein to Heavy Metals

    Directory of Open Access Journals (Sweden)

    Kamala Boonyodying

    2012-06-01

    Full Text Available A number of heavy metal-binding proteins have been used to study bioremediation. CXXC motif, a metal binding domain containing Cys-X-X-Cys motif, has been identified in various organisms. These proteins are capable of binding various types of heavy metals. In this study, heavy metal binding domain (CXXC motif recombinant protein encoded from mcsA gene of S. aureus were cloned and overexpressed in Escherichia coli. The factors involved in the metal-binding activity were determined in order to analyze the potential of recombinant protein for bioremediation. A recombinant protein can be bound to Cd2+, Co2+, Cu2+ and Zn2+. The thermal stability of a recombinant protein was tested, and the results showed that the metal binding activity to Cu2+ and Zn2+ still exist after treating the protein at 85ºC for 30 min. The temperature and pH that affected the metal binding activity was tested and the results showed that recombinant protein was still bound to Cu2+ at 65ºC, whereas a pH of 3-7 did not affect the metal binding E. coli harboring a pRset with a heavy metal-binding domain CXXC motif increased the resistance of heavy metals against CuCl2 and CdCl2. This study shows that metal binding domain (CXXC motif recombinant protein can be effectively bound to various types of heavy metals and may be used as a potential tool for studying bioremediation.

  9. Size effects in manufacturing of metallic components

    DEFF Research Database (Denmark)

    Vollertsen, F; Biermann, D; Hansen, Hans Nørgaard

    2009-01-01

    In manufacturing of metallic components, the size of the part plays an important role for the process behaviour. This is due to so called size effects, which lead to changes in the process behaviour even if the relationship between the main geometrical features is kept constant. The aim...... of this paper is to give a systematic review on Such effects and their potential use or remedy. First, the typology of size effects will be explained, followed by a description of size effects on strength and tribology. The last three sections describe size effects on formability, forming processes and cutting...... processes. (C) 2009 CIRP....

  10. Making components with controlled metal deposition

    OpenAIRE

    Ribeiro, António Fernando

    1997-01-01

    Rapid Prototyping is a recent CAD/CAM/CIM based manufacturing technique which produces prototypes of components in a fraction of the time. This technique works by first drawing the part as a 3 Dimensional solid model using a CAD program and then ‘printing’ it in 3 Dimensions. The raw material can be a photopolymer or thermoplastic which solidifies when in contact with light. Other materials are available although 100% metal is not a very usual one. This paper presents a new approach for a ...

  11. Evolution of Metal(Loid) Binding Sites in Transcriptional Regulators

    Energy Technology Data Exchange (ETDEWEB)

    Ordonez, E.; Thiyagarajan, S.; Cook, J.D.; Stemmler, T.L.; Gil, J.A.; Mateos, L.M.; Rosen, B.P.

    2009-05-22

    Expression of the genes for resistance to heavy metals and metalloids is transcriptionally regulated by the toxic ions themselves. Members of the ArsR/SmtB family of small metalloregulatory proteins respond to transition metals, heavy metals, and metalloids, including As(III), Sb(III), Cd(II), Pb(II), Zn(II), Co(II), and Ni(II). These homodimeric repressors bind to DNA in the absence of inducing metal(loid) ion and dissociate from the DNA when inducer is bound. The regulatory sites are often three- or four-coordinate metal binding sites composed of cysteine thiolates. Surprisingly, in two different As(III)-responsive regulators, the metalloid binding sites were in different locations in the repressor, and the Cd(II) binding sites were in two different locations in two Cd(II)-responsive regulators. We hypothesize that ArsR/SmtB repressors have a common backbone structure, that of a winged helix DNA-binding protein, but have considerable plasticity in the location of inducer binding sites. Here we show that an As(III)-responsive member of the family, CgArsR1 from Corynebacterium glutamicum, binds As(III) to a cysteine triad composed of Cys{sup 15}, Cys{sup 16}, and Cys{sup 55}. This binding site is clearly unrelated to the binding sites of other characterized ArsR/SmtB family members. This is consistent with our hypothesis that metal(loid) binding sites in DNA binding proteins evolve convergently in response to persistent environmental pressures.

  12. Influence of the slags treatment on the heavy metals binding

    Czech Academy of Sciences Publication Activity Database

    Blahová, L.; Navrátilová, Z.; Mucha, M.; Navrátilová, Eva; Neděla, Vilém

    2018-01-01

    Roč. 15, č. 4 (2018), s. 697-706 ISSN 1735-1472 Institutional support: RVO:68081731 Keywords : slag * binding * metal cations * slag modification Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.915, year: 2016

  13. Metal binding proteins, recombinant host cells and methods

    Science.gov (United States)

    Summers, Anne O.; Caguiat, Jonathan J.

    2004-06-15

    The present disclosure provides artificial heavy metal binding proteins termed chelons by the inventors. These chelons bind cadmium and/or mercuric ions with relatively high affinity. Also disclosed are coding sequences, recombinant DNA molecules and recombinant host cells comprising those recombinant DNA molecules for expression of the chelon proteins. In the recombinant host cells or transgenic plants, the chelons can be used to bind heavy metals taken up from contaminated soil, groundwater or irrigation water and to concentrate and sequester those ions. Recombinant enteric bacteria can be used within the gastrointestinal tracts of animals or humans exposed to toxic metal ions such as mercury and/or cadmium, where the chelon recombinantly expressed in chosen in accordance with the ion to be rededicated. Alternatively, the chelons can be immobilized to solid supports to bind and concentrate heavy metals from a contaminated aqueous medium including biological fluids.

  14. Metal Cutting for Large Component Removal

    International Nuclear Information System (INIS)

    Hulick, Robert M.

    2008-01-01

    Decommissioning of commercial nuclear power plants presents technological challenges. One major challenge is the removal of large components mainly consisting of the reactor vessel, steam generators and pressurizer. In order to remove and package these large components nozzles must be cut from the reactor vessel to precise tolerances. In some cases steam generators must be segmented for size and weight reduction. One innovative technology that has been used successfully at several commercial nuclear plant decommissioning is diamond wire sawing. Diamond wire sawing is performed by rotating a cable with diamond segments attached using a flywheel approximately 24 inches in diameter driven remotely by a hydraulic pump. Tension is provided using a gear rack drive which also takes up the slack in the wire. The wire is guided through the use of pulleys keeps the wire in a precise location. The diamond wire consists of 1/4 inch aircraft cable with diamond beads strung over the cable separated by springs and brass crimps. Standard wire contains 40 diamond beads per meter and can be made to any length. Cooling the wire and controlling the spread of contamination presents significant challenges. Under normal circumstances the wire is cooled and the cutting kerf cleaned by using water. In some cases of reactor nozzle cuts the use of water is prohibited because it cannot be controlled. This challenge was solved by using liquid Carbon Dioxide as the cooling agent. The liquid CO 2 is passed through a special nozzle which atomizes the liquid into snowflakes which is introduced under pressure to the wire. The snowflakes attach to the wire keeping it cool and to the metal shavings. As the CO 2 and metal shavings are released from the wire due to its fast rotation, the snowflakes evaporate leaving only the fine metal shavings as waste. Secondary waste produced is simply the small volume of fine metal shavings removed from the cut surface. Diamond wire sawing using CO 2 cooling has

  15. Cutting of metal components by intergranular cracking

    International Nuclear Information System (INIS)

    Chavand, J.; Gauthier, A.; Lopez, J.J.; Tanis, G.

    1985-01-01

    The objective of this contract was to study a new steel-sheet cutting technique for dismantling nuclear installations without in principle producing secondary waste. This technique is based on intergranular cracking of steel induced by the combined action of penetration of molten metal into the steel and application of a mechanical load. Cutting has been achieved for stainless-steel sheets with thicknesses ranging from a few mm to 50 mm and for carbon-steel plates with thicknesses between 20 and 60 mm. For carbon steel is seems possible that components as thick as 100 mm can be cut. The tests have permitted selection of the heating methods and determination of the cracking parameters for the materials and range of thickness studied. In the case of thin sheets, results were obtained for cutting in varied positions suited to the techniques of dismantling in hot cells. A temperature-measuring system using an infrared camera has been developed to determine the variation of the temperature field established in the component. In association with the three-dimensional computation code COCO developed by the CEA, this system permits prediction of the changes in stresses in the cracked zone when the cutting parameters are modified. 34 figs

  16. Finishing of precision generated metal optical components

    International Nuclear Information System (INIS)

    Baker, P.C.; Sonderman, J.B.

    1975-08-01

    Diamond turning and precision generation of aspheric metal surfaces has promoted a change in lapping techniques due to the extremely close figure tolerances and surface finishes that have been achieved. Special tooling, diamond abrasive, silicon oil and special techniques used to polish the unusual aspheric figures are described. The studies include small flat diamond turned samples of copper, electroplated copper, electroplated silver, electroplated nickel and silver as well as large aspheres such as an f/0.75, 35 cm dia copper ellipse. Results from cleaning studies on flat samples using ultrasonics and vapor degreasers are also summarized. Interferograms of wavefront distortion and analysis of focal volume are included as well as 10.6 μm reflectivity and a summary of laser damage experiments. (TFD)

  17. Design and Measurement of Metallic Post-Wall Waveguide Components

    NARCIS (Netherlands)

    Coenen, T.J.; Bekers, D.J.; Tauritz, J.L.; Vliet, F.E. van

    2009-01-01

    Abstract—In this paper we discuss the design and measurement of a set of metallic post-wall waveguide components for antenna feed structures. The components are manufactured on a single layer printed circuit board and excited by a grounded coplanar waveguide. For a straight transmission line, a 90°

  18. Aging of metal components in US nuclear reactors

    International Nuclear Information System (INIS)

    Mayfield, M.E.; Strosnider, J.R.

    1998-01-01

    This paper presents an overview of the aging of metal components in U.S. Light Water Reactors. The types of degradation being experienced in components such as the pressure vessel, piping, reactor internals, and steam generators, and the programs being implemented to manage the degradation are discussed. (author)

  19. QM/MM Molecular Dynamics Studies of Metal Binding Proteins

    Directory of Open Access Journals (Sweden)

    Pietro Vidossich

    2014-07-01

    Full Text Available Mixed quantum-classical (quantum mechanical/molecular mechanical (QM/MM simulations have strongly contributed to providing insights into the understanding of several structural and mechanistic aspects of biological molecules. They played a particularly important role in metal binding proteins, where the electronic effects of transition metals have to be explicitly taken into account for the correct representation of the underlying biochemical process. In this review, after a brief description of the basic concepts of the QM/MM method, we provide an overview of its capabilities using selected examples taken from our work. Specifically, we will focus on heme peroxidases, metallo-β-lactamases, α-synuclein and ligase ribozymes to show how this approach is capable of describing the catalytic and/or structural role played by transition (Fe, Zn or Cu and main group (Mg metals. Applications will reveal how metal ions influence the formation and reduction of high redox intermediates in catalytic cycles and enhance drug metabolism, amyloidogenic aggregate formation and nucleic acid synthesis. In turn, it will become manifest that the protein frame directs and modulates the properties and reactivity of the metal ions.

  20. The metal binding potential of a dairy isolate

    Directory of Open Access Journals (Sweden)

    K. Ramyakrishna

    2017-12-01

    Full Text Available Excess iron in water resources can lead to health hazards and problems. The ability of lactic acid bacteria to bind iron has not yet been widely studied. In the present study, sorption of iron ions from aqueous solutions onto lactic acid bacterium was determined. Elemental analyses were carried out by inductively coupled plasma optical emission spectrometry. The kinetics of Fe(III biosorption was investigated at different initial concentrations of metal ion. The highest uptake capacity was found to be 16 mg of Fe(III per gram of adsorbent with a contact time of 24 hr and at initial metal ion concentration of 34 mg/L. The uptake capacity of Fe(III ion varied from 83.2 to 46.7% across the range of initial metal ion concentrations. The equilibrium data were evaluated by Langmuir and Freundlich isotherms, and were found to fit better with the latter (R2 = 0.9999. The surface morphology of the biomass and percentage of metal was characterized by using a scanning electron microscope equipped with energy dispersive X-ray spectroscopy. The functional groups on the cell wall surface of biomass involved in biosorption of heavy metals were studied by Fourier transform infrared spectroscopy spectrum.

  1. Analysis of leukocyte binding to depletion filters: role of passive binding, interaction with platelets, and plasma components.

    Science.gov (United States)

    Henschler, R; Rüster, B; Steimle, A; Hansmann, H L; Walker, W; Montag, T; Seifried, E

    2005-08-01

    Since limited knowledge exists on the mechanisms which regulate cell binding to leukocyte removal filter surfaces, we investigated the binding patterns of leukocytes to individual layers of leukocyte depletion filters. After passage of 1 unit of whole blood, blotting of isolated filter layers on glass slides or elution of cells from filter layers revealed that most leukocytes were located within the first 10 of a total of 28 filter layers, peaking at layers 6 to 8, with granulocytes binding on average to earlier filter layers than lymphocytes. Leukocytes preincubated with inhibitors of actin activation showed unchanged distribution between filter layers, suggesting that cytoskeletal activation does not significantly contribute to their binding. When leukocytes were directly incubated with single filter layers, binding of up to 30% of input cells was recorded in the absence of Ca(2+). Immunohistological analyses showed colocalization of platelets and leukocytes, with co-clustering of platelets and leukocytes. Monocytes and to some degree lymphocytes but not granulocytes competed with platelets for filter binding. Precoating of filter layers with individual plasma components showed that hyaluronic acid, plasma type fibronectin, and fibrinogen all increased the binding of leukocytes compared with albumin coating. In conclusion, leukocytes can bind passively to filters in a process which does not require Ca(2+), which is independent of cytoskeletal activation and which may depend on individual plasma components. These results are of importance when new selective cell enrichment or depletion strategies through specific filters are envisaged.

  2. Extracellular proteins: Novel key components of metal resistance in cyanobacteria?

    Directory of Open Access Journals (Sweden)

    Joaquin eGiner-Lamia

    2016-06-01

    Full Text Available Metals are essential for all living organisms and required for fundamental biochemical processes. However, when in excess, metals can turn into highly-toxic agents able to disrupt cell membranes, alter enzymatic activities and damage DNA. Metal concentrations are therefore tightly controlled inside cells, particularly in cyanobacteria. Cyanobacteria are ecologically relevant prokaryotes that perform oxygenic photosynthesis and can be found in many different marine and freshwater ecosystems, including environments contaminated with heavy metals. As their photosynthetic machinery imposes high demands for metals, homeostasis of these micronutrients has been widely studied in cyanobacteria. So far, most studies have focused on how cells are capable of controlling their internal metal pools, with a strong bias towards the analysis of intracellular processes. Ultrastructure, modulation of physiology, dynamic changes in transcription and protein levels have been studied, but what takes place in the extracellular environment when cells are exposed to an unbalanced metal availability remains largely unknown. The interest in studying the subset of proteins present in the extracellular space has only recently begun and the identification and functional analysis of the cyanobacterial exoproteomes are just emerging. Remarkably, metal-related proteins such as the copper-chaperone CopM or the iron-binding protein FutA2 have already been identified outside the cell. With this perspective, we aim to raise the awareness that metal-resistance mechanisms are not yet fully known and hope to motivate future studies assessing the role of extracellular proteins on bacterial metal homeostasis, with a special focus on cyanobacteria.

  3. Modeling metal binding to soils: the role of natural organic matter.

    Science.gov (United States)

    Gustafsson, Jon Petter; Pechová, Pavlina; Berggren, Dan

    2003-06-15

    The use of mechanistically based models to simulate the solution concentrations of heavy metals in soils is complicated by the presence of different sorbents that may bind metals. In this study, the binding of Zn, Pb, Cu, and Cd by 14 different Swedish soil samples was investigated. For 10 of the soils, it was found that the Stockholm Humic Model (SHM) was able to describe the acid-base characteristics, when using the concentrations of "active" humic substances and Al as fitting parameters. Two additional soils could be modeled when ion exchange to clay was also considered, using a component additivity approach. For dissolved Zn, Cd, Ca, and Mg reasonable model fits were produced when the metal-humic complexation parameters were identical for the 12 soils modeled. However, poor fits were obtained for Pb and Cu in Aquept B horizons. In two of the soil suspensions, the Lund A and Romfartuna Bhs, the calculated speciation agreed well with results obtained by using cation-exchange membranes. The results suggest that organic matter is an important sorbent for metals in many surface horizons of soils in temperate and boreal climates, and the necessity of properly accounting for the competition from Al in simulations of dissolved metal concentrations is stressed.

  4. Handling and final storage of radioactive metal components

    International Nuclear Information System (INIS)

    Loennerberg, B.; Engelbrektson, A.; Neretnieks, I.

    1978-06-01

    After the dismounting of the fuel elements, the next stage is to undertake the final storing of the metal components, which have kept the fuel rods together. The components are transmitted to a pool where they are cut into pieces, compacted and placed in wire baskets. These are transferred in a water channel to a cell, where the metal components are embedded into concrete blocks. Thus the baskets are placed in prefabricated concrete containers, after which the metal parts are embedded into cement grout, injected from the bottom of the containers. The blocks are finally stored in rock tunnels constituting a storage similar to the repositories for vitrified waste and spent fuel, although somewhat simplified, taking advantage of the much lower amount of radioactive material in the case of metal components. Thus a depositioning depth of 300 m in rock is very much on the safe side and it is appropriate in this case to fill the tunnels with concrete, ensuring by its alcalinity a suffi ciently low rate of dissolution of the metal and migration of radioactive substances

  5. Thermodynamics of binding interactions between extracellular polymeric substances and heavy metals by isothermal titration microcalorimetry.

    Science.gov (United States)

    Yan, Peng; Xia, Jia-Shuai; Chen, You-Peng; Liu, Zhi-Ping; Guo, Jin-Song; Shen, Yu; Zhang, Cheng-Cheng; Wang, Jing

    2017-05-01

    Extracellular polymeric substances (EPS) play a crucial role in heavy metal bio-adsorption using activated sludge, but the interaction mechanism between heavy metals and EPS remains unclear. Isothermal titration calorimetry was employed to illuminate the mechanism in this study. The results indicate that binding between heavy metals and EPS is spontaneous and driven mainly by enthalpy change. Extracellular proteins in EPS are major participants in the binding process. Environmental conditions have significant impact on the adsorption performance. Divalent and trivalent cations severely impeded the binding of heavy metal ions to EPS. Electrostatic interaction mainly attributed to competition between divalent cations and heavy metal ions; trivalent cations directly competed with heavy metal ions for EPS binding sites. Trivalent cations were more competitive than divalent cations for heavy metal ion binding because they formed complexing bonds. This study facilitates a better understanding about the interaction between heavy metals and EPS in wastewater treatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Cupryphans, metal-binding, redox-active, redesigned conopeptides.

    Science.gov (United States)

    Barba, Marco; Sobolev, Anatoli P; Romeo, Cristina; Schininà, M Eugenia; Pietraforte, Donatella; Mannina, Luisa; Musci, Giovanni; Polticelli, Fabio

    2009-03-01

    Contryphans are bioactive peptides, isolated from the venom of marine snails of the genus Conus, which are characterized by the short length of the polypeptide chain and the high degree of unusual post-translational modifications. The cyclization of the polypeptide chain through a single disulphide bond, the presence of two conserved Pro residues, and the epimerization of a Trp/Leu residue confer to Contryphans a stable and well-defined structure in solution, conserved in all members of the family, and tolerant to multiple substitutions. The potential of Contryphans as scaffolds for the design of redox-active (macro)molecules was tested by engineering a copper-binding site on two different variants of the natural peptide Contryphan-Vn. The binding site was designed by computational modeling, and the redesigned peptides were synthesized and characterized by optical, fluorescence, electron spin resonance, and nuclear magnetic resonance spectroscopy. The novel peptides, named Cupryphan and Arg-Cupryphan, bind Cu(2+) ions with a 1:1 stoichiometry and a K(d) in the 100 nM range. Other divalent metals (e.g., Zn(2+) and Mg(2+)) are bound with much lower affinity. In addition, Cupryphans catalyze the dismutation of superoxide anions with an activity comparable to other nonpeptidic superoxide dismutase mimics. We conclude that the Contryphan motif represents a natural robust scaffold which can be engineered to perform different functions, providing additional means for the design of catalytically active mini metalloproteins.

  7. Differential plasma protein binding to metal oxide nanoparticles

    International Nuclear Information System (INIS)

    Deng, Zhou J; Mortimer, Gysell; Minchin, Rodney F; Schiller, Tara; Musumeci, Anthony; Martin, Darren

    2009-01-01

    Nanoparticles rapidly interact with the proteins present in biological fluids, such as blood. The proteins that are adsorbed onto the surface potentially dictate the biokinetics of the nanomaterials and their fate in vivo. Using nanoparticles with different sizes and surface characteristics, studies have reported the effects of physicochemical properties on the composition of adsorbed plasma proteins. However, to date, few studies have been conducted focusing on the nanoparticles that are commonly exposed to the general public, such as the metal oxides. Using previously established ultracentrifugation approaches, two-dimensional gel electrophoresis and mass spectrometry, the current study investigated the binding of human plasma proteins to commercially available titanium dioxide, silicon dioxide and zinc oxide nanoparticles. We found that, despite these particles having similar surface charges in buffer, they bound different plasma proteins. For TiO 2 , the shape of the nanoparticles was also an important determinant of protein binding. Agglomeration in water was observed for all of the nanoparticles and both TiO 2 and ZnO further agglomerated in biological media. This led to an increase in the amount and number of different proteins bound to these nanoparticles. Proteins with important biological functions were identified, including immunoglobulins, lipoproteins, acute-phase proteins and proteins involved in complement pathways and coagulation. These results provide important insights into which human plasma proteins bind to particular metal oxide nanoparticles. Because protein absorption to nanoparticles may determine their interaction with cells and tissues in vivo, understanding how and why plasma proteins are adsorbed to these particles may be important for understanding their biological responses.

  8. Characterization of Two Metal Binding Lipoproteins as Vaccine Candidates for Enterococcal Infections.

    Science.gov (United States)

    Romero-Saavedra, Felipe; Laverde, Diana; Budin-Verneuil, Aurélie; Muller, Cécile; Bernay, Benoit; Benachour, Abdellah; Hartke, Axel; Huebner, Johannes

    2015-01-01

    Enterococcus faecium and faecalis are Gram-positive opportunistic pathogens that have become leading causes of nosocomial infections over the last decades. Especially multidrug resistant enterococci have become a challenging clinical problem worldwide. Therefore, new treatment options are needed and the identification of alternative targets for vaccine development has emerged as a feasible alternative to fight the infections caused by these pathogens. We extrapolate the transcriptomic data from a mice peritonitis infection model in E. faecalis to identify putative up-regulated surface proteins under infection conditions in E. faecium. After the bionformatic analyses two metal binding lipoproteins were identified to have a high homology (>72%) between the two species, the manganese ABC transporter substrate-binding lipoprotein (PsaAfm,) and the zinc ABC transporter substrate-binding lipoprotein (AdcAfm). These candidate lipoproteins were overexpressed in Escherichia coli and purified. The recombinant proteins were used to produce rabbit polyclonal antibodies that were able to induce specific opsonic antibodies that mediated killing of the homologous strain E. faecium E155 as well as clinical strains E. faecium E1162, Enterococcus faecalis 12030, type 2 and type 5. Mice were passively immunized with the antibodies raised against recombinant lipoproteins, showing significant reduction of colony counts in mice livers after the bacterial challenge and demonstrating the efficacy of these metal binding lipoproteins as promising vaccine candidates to treat infections caused by these enterococcal pathogens. Overall, our results demonstrate that these two metal binding lipoproteins elicited specific, opsonic and protective antibodies, with an extensive cross-reactivity and serotype-independent coverage among these two important nocosomial pathogens. Pointing these two protein antigens as promising immunogens, that can be used as single components or as carrier proteins

  9. Bulk forming of industrial micro components in conventional metals and bulk metallic glasses

    DEFF Research Database (Denmark)

    Arentoft, Mogens; Paldan, Nikolas Aulin; Eriksen, Rasmus Solmer

    2007-01-01

    For production of micro components in large numbers, forging is an interesting and challenging process. The conventional metals like silver, steel and aluminum often require multi-step processes, but high productivity and increased strength justify the investment. As an alternative, bulk metallic...

  10. Binding properties of oxacalix[4]arenes derivatives toward metal cations

    International Nuclear Information System (INIS)

    Mellah, B.

    2006-11-01

    The objective of this work was to establish the binding properties of oxacalix[4]arene derivatives with different numbers of the oxa bridges, functional groups (ketones, pyridine, ester, amide and methoxy) and conformations. Their interactions with alkali and alkaline-earth, heavy and transition metal cations have been evaluated according to different approaches: (i) extraction of corresponding picrates from an aqueous phase into dichloromethane; (ii) determination of the thermodynamic parameters of complexation in methanol and/or acetonitrile by UV-spectrophotometry and micro-calorimetry; (iii) determination of the stoichiometry of the complexes by ESI-MS; (iv) 1 H-NMR titrations allowing to localize the metal ions in the ligand cavity. In a first part dealing on homo-oxacalix[4]arenes, selectivities for Na + , K + , Ca 2+ , Pb 2+ and Mn 2+ of ketones derivatives was shown. The presence of oxa bridge in these derivatives increases their efficiency while decreasing their selectivity with respect to related calixarenes. The pyridine derivative prefers transition and heavy metal cations, in agreement with the presence of the soft nitrogen atoms. In the second part, di-oxacalix[4]arene ester and secondary amide derivatives were shown to be less effective than tertiary amide counterparts but to present high selectivities for Li + , Ba 2+ , Zn 2+ and Hg 2+ . A third part devoted to the octa-homo-tetra-oxacalix[4]arene tetra-methoxy shows that the 1:1 metal complexes formed are generally more stable than those of calixarenes, suggesting the participation of the oxygen atoms of the bridge in the complexation. Selectivity for Cs + , Ba 2+ , Cu 2+ and Hg 2+ were noted. (author)

  11. 21 CFR 888.3320 - Hip joint metal/metal semi-constrained, with a cemented acetabular component, prosthesis.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Hip joint metal/metal semi-constrained, with a... Devices § 888.3320 Hip joint metal/metal semi-constrained, with a cemented acetabular component, prosthesis. (a) Identification. A hip joint metal/metal semi-constrained, with a cemented acetabular...

  12. 21 CFR 888.3330 - Hip joint metal/metal semi-constrained, with an uncemented acetabular component, prosthesis.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Hip joint metal/metal semi-constrained, with an... Devices § 888.3330 Hip joint metal/metal semi-constrained, with an uncemented acetabular component, prosthesis. (a) Identification. A hip joint metal/metal semi-constrained, with an uncemented acetabular...

  13. Parkinson Disease Protein DJ-1 Binds Metals and Protects against Metal-induced Cytotoxicity*

    Science.gov (United States)

    Björkblom, Benny; Adilbayeva, Altynai; Maple-Grødem, Jodi; Piston, Dominik; Ökvist, Mats; Xu, Xiang Ming; Brede, Cato; Larsen, Jan Petter; Møller, Simon Geir

    2013-01-01

    The progressive loss of motor control due to reduction of dopamine-producing neurons in the substantia nigra pars compacta and decreased striatal dopamine levels are the classically described features of Parkinson disease (PD). Neuronal damage also progresses to other regions of the brain, and additional non-motor dysfunctions are common. Accumulation of environmental toxins, such as pesticides and metals, are suggested risk factors for the development of typical late onset PD, although genetic factors seem to be substantial in early onset cases. Mutations of DJ-1 are known to cause a form of recessive early onset Parkinson disease, highlighting an important functional role for DJ-1 in early disease prevention. This study identifies human DJ-1 as a metal-binding protein able to evidently bind copper as well as toxic mercury ions in vitro. The study further characterizes the cytoprotective function of DJ-1 and PD-mutated variants of DJ-1 with respect to induced metal cytotoxicity. The results show that expression of DJ-1 enhances the cells' protective mechanisms against induced metal toxicity and that this protection is lost for DJ-1 PD mutations A104T and D149A. The study also shows that oxidation site-mutated DJ-1 C106A retains its ability to protect cells. We also show that concomitant addition of dopamine exposure sensitizes cells to metal-induced cytotoxicity. We also confirm that redox-active dopamine adducts enhance metal-catalyzed oxidation of intracellular proteins in vivo by use of live cell imaging of redox-sensitive S3roGFP. The study indicates that even a small genetic alteration can sensitize cells to metal-induced cell death, a finding that may revive the interest in exogenous factors in the etiology of PD. PMID:23792957

  14. Biosorption of Metals from Multi-Component Bacterial Solutions

    CERN Document Server

    Tsertsvadze, L A; Petriashvili, Sh G; Chutkerashvili, D G; Kirkesali, E I; Frontasyeva, M V; Pavlov, S S; Gundorina, S F

    2002-01-01

    The method of extraction of metals from industrial solutions by means of economical and easy to apply biosorbents in subtropics such as products of tea manufacturing, moss, microorganisms is described. The multi-component solutions obtained in the process of leaching of ores, rocks and industrial wastes by peat suspension were used in the experiments. The element composition of sorbent biomass and solutions was investigated by epithermal neutron activation analysis and by atomic absorption spectrometry. The results obtained evidence that the used biosorbents are applicable for extraction of the whole set of heavy metals and actinides (U, Th, Cu, Mn, Fe, Pb, Li, Rb, Sr, Cd, As, Co and others) from industrial solutions.

  15. Refractory metal component technology for in-core sensor design

    International Nuclear Information System (INIS)

    Cannon, C.P.

    1986-02-01

    Within recent years, an increasing concern over reactor safety has prompted tests that characterize reactor core environments during transient conditions. Such tests include the Loss-of-Fluid-Tests (Idaho National Engineering Lab (INEL)), Severe Fuel Damage Tests (INEL), Core Debris Rubble Tests (Sandia National Laboratories (SNL)), and similar tests performed by foreign nations. The in-core sensors for these tests require refractory metal components to be compatible with electrical insulator materials as well as materials comprising highly corrosive service mediums. This paper presents the refractory metal technology utilized to provide basic sensor designs in the above mentioned reactor tests

  16. Competitive sorption and desorption of heavy metals by individual soil components

    International Nuclear Information System (INIS)

    Covelo, E.F.; Vega, F.A.; Andrade, M.L.

    2007-01-01

    Knowledge of sorption and desorption of heavy metals by individual soil components should be useful for modelling the behaviour of soils of arbitrary composition when contaminated by heavy metals, and for designing amendments increasing the fixation of heavy metals by soils polluted by these species. In this study the competitive sorption and desorption of Cd, Cr, Cu, Ni, Pb and Zn by humified organic matter, Fe and Mn oxides, kaolinite, vermiculite and mica were investigated. Due to the homogeneity of the sorbents, between-metal competition for binding sites led to their preferences for one or another metal being much more manifest than in the case of whole soils. On the basis of k d100 values (distribution coefficients calculated in sorption-desorption experiments in which the initial sorption solution contained 100 mg L -1 of each metal), kaolinite and mica preferentially sorbed and retained chromium; vermiculite, copper and zinc; HOM, Fe oxide and Mn oxide, lead (HOM and Mn oxide also sorbed and retained considerable amounts of copper). Mica only retained sorbed chromium, Fe oxide sorbed cadmium and lead, and kaolinite did not retain sorbed copper. The sorbents retaining the greatest proportions of sorbed metals were vermiculite and Mn oxide, but the ratios of k d100 values for retention and sorption suggest that cations were least reversibly bound by Mn oxide, and most reversibly by vermiculite

  17. Component analysis and heavy metal adsorption ability of extracellular polymeric substances (EPS) from sulfate reducing bacteria.

    Science.gov (United States)

    Yue, Zheng-Bo; Li, Qing; Li, Chuan-chuan; Chen, Tian-hu; Wang, Jin

    2015-10-01

    Extracellular polymeric substances (EPS) play an important role in the treatment of acid mine drainage (AMD) by sulfate-reducing bacteria (SRB). In this paper, Desulfovibrio desulfuricans was used as the test strain to explore the effect of heavy metals on the components and adsorption ability of EPS. Fourier-transform infrared (FTIR) spectroscopy analysis results showed that heavy metals did not influence the type of functional groups of EPS. Potentiometric titration results indicated that the acidic constants (pKa) of the EPS fell into three ranges of 3.5-4.0, 5.9-6.7, and 8.9-9.8. The adsorption site concentrations of the surface functional groups also increased. Adsorption results suggested that EPS had a specific binding affinity for the dosed heavy metal, and that EPS extracted from the Zn(2+)-dosed system had a higher binding affinity for all heavy metals. Additionally, Zn(2+) decreased the inhibitory effects of Cd(2+) and Cu(2+) on the SRB. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Binding interactions between suberin monomer components and pesticides

    Energy Technology Data Exchange (ETDEWEB)

    Olivella, M.À., E-mail: angels.olivella@udg.edu [Department of Chemical Engineering, Escola Politècnica Superior, Universitat de Girona, Maria Aurèlia Capmany, 61, 17071 Girona (Spain); Bazzicalupi, C.; Bianchi, A. [Department of Chemistry “Ugo Schiff”, University of Florence, Via della Lastruccia, 3, 50019 Sesto Fiorentino (Italy); Río, J.C. del [Instituto de Recursos Naturales y Agrobiología de Sevilla, Consejo Superior de Investigaciones Científicas, P.O. Box 1052, 41080 Seville (Spain); Fiol, N.; Villaescusa, I. [Department of Chemical Engineering, Escola Politècnica Superior, Universitat de Girona, Maria Aurèlia Capmany, 61, 17071 Girona (Spain)

    2015-09-15

    Understanding the role of biomacromolecules and their interactions with pollutants is a key for elucidating the sorption mechanisms and making an accurate assessment of the environmental fate of pollutants. The knowledge of the sorption properties of the different constituents of these biomacromolecules may furnish a significant contribution to this purpose. Suberin is a very abundant biopolymer in higher plants. In this study, suberin monomers isolated from cork were analyzed by thermally-assisted methylation with tetramethylammonium hydroxide (TMAH) in a pyrolysis unit coupled to gas chromatography–mass spectrometry (GC/MS). The isolated monomer mixture was used to study the sorption of three pesticides (isoproturon, methomyl and oxamyl). The modes of pesticide–sorbent interactions were analyzed by means of two modeling calculations, the first one representing only the mixture of suberin monomers used in the sorption study, and the second one including glycerol to the mixture of suberin monomers, as a building block of the suberin molecule. The results indicated that the highest sorption capacity exhibited by the sorbent was for isoproturon (33%) being methomyl and oxamyl sorbed by the main suberin components to a lesser extent (3% and < 1%, respectively). In addition to van der Waals interactions with the apolar region of sorbent and isoproturon, modeling calculations evidenced the formation of a hydrogen bond between the isoproturon NH group and a carboxylic oxygen atom of a suberin monomer. In the case of methomyl and oxamyl only weak van der Waals interactions stabilize the pesticide–sorbent adducts. The presence of glycerol in the model provoked significant changes in the interactions with isoproturon and methomyl. - Highlights: • Suberin has low affinity to retain pesticides of aliphatic character. • Suberin has a moderate affinity to adsorb isoproturon. • Modeling calculations show that apolar portion of suberin interacts with isoproturon.

  19. Binding interactions between suberin monomer components and pesticides

    International Nuclear Information System (INIS)

    Olivella, M.À.; Bazzicalupi, C.; Bianchi, A.; Río, J.C. del; Fiol, N.; Villaescusa, I.

    2015-01-01

    Understanding the role of biomacromolecules and their interactions with pollutants is a key for elucidating the sorption mechanisms and making an accurate assessment of the environmental fate of pollutants. The knowledge of the sorption properties of the different constituents of these biomacromolecules may furnish a significant contribution to this purpose. Suberin is a very abundant biopolymer in higher plants. In this study, suberin monomers isolated from cork were analyzed by thermally-assisted methylation with tetramethylammonium hydroxide (TMAH) in a pyrolysis unit coupled to gas chromatography–mass spectrometry (GC/MS). The isolated monomer mixture was used to study the sorption of three pesticides (isoproturon, methomyl and oxamyl). The modes of pesticide–sorbent interactions were analyzed by means of two modeling calculations, the first one representing only the mixture of suberin monomers used in the sorption study, and the second one including glycerol to the mixture of suberin monomers, as a building block of the suberin molecule. The results indicated that the highest sorption capacity exhibited by the sorbent was for isoproturon (33%) being methomyl and oxamyl sorbed by the main suberin components to a lesser extent (3% and < 1%, respectively). In addition to van der Waals interactions with the apolar region of sorbent and isoproturon, modeling calculations evidenced the formation of a hydrogen bond between the isoproturon NH group and a carboxylic oxygen atom of a suberin monomer. In the case of methomyl and oxamyl only weak van der Waals interactions stabilize the pesticide–sorbent adducts. The presence of glycerol in the model provoked significant changes in the interactions with isoproturon and methomyl. - Highlights: • Suberin has low affinity to retain pesticides of aliphatic character. • Suberin has a moderate affinity to adsorb isoproturon. • Modeling calculations show that apolar portion of suberin interacts with isoproturon.

  20. Binding interaction between a queen pheromone component HOB and pheromone binding protein ASP1 of Apis cerana.

    Science.gov (United States)

    Weng, Chen; Fu, Yuxia; Jiang, Hongtao; Zhuang, Shulin; Li, Hongliang

    2015-01-01

    The honeybee's social behavior is closely related to the critical response to pheromone, while pheromone binding proteins (PBPs) play an important role in binding and transferring those pheromones. Here we report one known PBP, antennal special protein 1(ASP1), which has high affinity with a queen mandibular pheromone component, methyl-p-hydroxybenzoate (HOB). In this study, multiple fluorescent spectra, UV absorption spectra, circular dichroism (CD) spectra and molecular docking analysis were combined to clarify the binding process. Basically, fluorescence intensity of ASP1 could be considerably quenched by HOB with an appropriate interaction distance (3.1 nm), indicating that a complex, which is more stable in lower temperature, was formed. The fact ΔH < 0, ΔS < 0, by thermodynamic analysis, indicated the van der Waals and hydrogen bond as main driving force. Moreover, synchronous fluorescence spectra and CD spectra analysis showed the change of partial hydrophilicity of ASP1 and the increase of α-helix after HOB addition. In conclusion, ASP1 can strongly and spontaneously interact with HOB. But the binding ability decreases with the rise of temperature, which may be necessary for sufficient social stability of hives. This study provides elucidation of the detailed binding mechanism and potential physicochemical basis of thermal stability to the social behavior of honeybee. Copyright © 2014 Elsevier B.V. All rights reserved.

  1. Metal ion interaction of an oligopeptide fragment representing the regulatory metal binding site of a CueR protein

    DEFF Research Database (Denmark)

    Jancsó, Attila; Szokolai, Hajnalka; Roszahegyi, Livia

    2013-01-01

    Metalloregulatory proteins of the MerR family are transcriptional activators that sense/control the concentration of various metal ions inside bacteria.1 The Cu+ efflux regulator CueR, similarly to other MerR proteins, possesses a short multiple Cys-containing metal binding loop close to the C...... of cognate metal ions.2 Nevertheless, it is an interesting question whether the same sequence, when removed from the protein, shows a flexibility to adopt different coordination environments and may efficiently bind metal ions having preferences for larger coordination numbers....

  2. Binding of zinc and iron to wheat bread, wheat bran, and their components.

    Science.gov (United States)

    Ismail-Beigi, F; Faraji, B; Reinhold, J G

    1977-10-01

    Wholemeal wheat bread decreases the availability and intestinal absorption of divalent metals. To define this action further, binding of zinc in vitro to a wheat wholemeal bread (Tanok), dephytinized Tanok, and cellulose was determined at pH 5.0 to 7.5. Zinc binding by each was highly pH-dependent and reached a maximum at pH 6.5 to 7.5. Removal of phytate from Tanok did not reduce its binding capability. Wheat bran at pH 6.5 and 6.8 bound 72% of iron (0.5 microgram/ml of solution) and 82.5% of zinc (1.43 microgram/ml solution), respectively. Lignin and two of the hemicellulose fractions of wheat bran and high binding capabilities for zinc (85.6, 87.1, and 82.1%, respectively) whereas a third had a lower zinc-binding capability (38.7%). Binding of zinc to various celluloses and dextrans is also demonstrated. Formation of complexes of these metals with wheat fiber can explain, at least in part, the decreased availability of dietary iron and zinc in wholemeal wheat bread.

  3. Optimization of exopolysaccharide production from Pseudomonas stutzeri AS22 and examination of its metal-binding abilities.

    Science.gov (United States)

    Maalej, H; Hmidet, N; Boisset, C; Buon, L; Heyraud, A; Nasri, M

    2015-02-01

    To investigate the effect of culture conditions and medium components on exopolysaccharide (EPS) production by Pseudomonas stutzeri AS22 and to access the EPS performance as a metal-binding exopolysaccharide. The EPS production conditions of Ps. stutzeri AS22 in submerged culture were optimized using two approaches for EPS quantification, and its metal-binding capacity was evaluated using both single and mixed metal ions systems. Maximum EPS level was achieved after 24 h of incubation at 30°C with an initial pH of 8.0, 250 rev min(-1) stirring level and 10% inoculum size. 50 g l(-1) starch, 5 g l(-1) yeast extract, 0.5 g l(-1) NaCl, 1.4 g l(-1) K2 HPO4, 0.4 g l(-1) MgSO4, 0.4 g l(-1) CaCl2 and 1 g l(-1) mannose were found to be the most suitable carbon, nitrogen, mineral and additional carbohydrate sources, respectively. From metal-binding experiments, the crude EPS showed interesting metal adsorption capacity adopting the order Pb > Co > Fe > Cu > Cd. Lead was preferentially biosorbed with a maximal uptake of 460 mg g(-1) crude EPS. Under the optimal culture requirements, EPS level reached 10.2 g l(-1) after 24 h of fermentation, seven times more than the production under initial conditions. According to the metal-binding assay, the crude EPS has potential to be used as a novel biosorbent in the treatment of heavy metals-contaminated water. Our results are interesting in terms of yield as well as efficiency for the potential use of the Ps. stutzeri exopolysaccharide as a metal-absorbent polymer in the bioremediation field. © 2014 The Society for Applied Microbiology.

  4. Isolation and characterization of iron chelators from turmeric (Curcuma longa): selective metal binding by curcuminoids.

    Science.gov (United States)

    Messner, Donald J; Surrago, Christine; Fiordalisi, Celia; Chung, Wing Yin; Kowdley, Kris V

    2017-10-01

    Iron overload disorders may be treated by chelation therapy. This study describes a novel method for isolating iron chelators from complex mixtures including plant extracts. We demonstrate the one-step isolation of curcuminoids from turmeric, the medicinal food spice derived from Curcuma longa. The method uses iron-nitrilotriacetic acid (NTA)-agarose, to which curcumin binds rapidly, specifically, and reversibly. Curcumin, demethoxycurcumin, and bisdemethoxycurcumin each bound iron-NTA-agarose with comparable affinities and a stoichiometry near 1. Analyses of binding efficiencies and purity demonstrated that curcuminoids comprise the primary iron binding compounds recovered from a crude turmeric extract. Competition of curcuminoid binding to the iron resin was used to characterize the metal binding site on curcumin and to detect iron binding by added chelators. Curcumin-Iron-NTA-agarose binding was inhibited by other metals with relative potency: (>90% inhibition) Cu 2+  ~ Al 3+  > Zn 2+  ≥ Ca 2+  ~ Mg 2+  ~ Mn 2+ (80% by addition of iron to the media; uptake was completely restored by desferoxamine. Ranking of metals by relative potencies for blocking curcumin uptake agreed with their relative potencies in blocking curcumin binding to iron-NTA-agarose. We conclude that curcumin can selectively bind toxic metals including iron in a physiological setting, and propose inhibition of curcumin binding to iron-NTA-agarose for iron chelator screening.

  5. Sheet-bulk metal forming – forming of functional components from sheet metals

    Directory of Open Access Journals (Sweden)

    Merklein Marion

    2015-01-01

    Full Text Available The paper gives an overview on the application of sheet-bulk metal forming operations in both scientific and industrial environment. Beginning with the need for an innovative forming technology, the definition of this new process class is introduced. The rising challenges of the application of bulk metal forming operations on sheet metals are presented and the demand on a holistic investigation of this topic is motivated. With the help of examples from established production processes, the latest state of technology and the lack on fundamental knowledge is shown. Furthermore, perspectives regarding new research topics within sheet-bulk metal forming are presented. These focus on processing strategies to improve the quality of functional components by the application of process-adapted semi-finished products as well as the local adaption of the tribological system.

  6. Specific cell components of Bacteroides gingivalis mediate binding and degradation of human fibrinogen

    International Nuclear Information System (INIS)

    Lantz, M.S.; Allen, R.D.; Vail, T.A.; Switalski, L.M.; Hook, M.

    1991-01-01

    Bacteroides (Porphyromonas) gingivalis, which has been implicated as an etiologic agent in human periodontal diseases, has been shown to bind and degrade human fibrinogen. B. gingivalis strains bind fibrinogen reversibly and with high affinity and bind to a specific region of the fibrinogen molecule that appears to be located between the D and E domains. The authors now report that human fibrinogen is bound and then degraded by specific B. gingivalis components that appear to be localized at the cell surface. Fibrinogen binding to bacterial cells occurred at 4, 22, and 37 degree C. A functional fibrinogen-binding component (M r , 150 000) was identified when sodium dodecyl sulfate-solubilized bacteria were fractionated by sodium dodecyl sulfate-polyacrylamide gel electrophoresis, transferred to nitrocellulose membranes, and probed with 125 I-fibrinogen. Fibrinogen degradation did not occur at 4 degree C but did occur at 22 and 37 degree C. When bacteria and iodinated fibrinogen were incubated at 37 degree C, two major fibrinogen fragments (M r , 97 000 and 50 000) accumulated in incubation mixture supernatant fractions. Two major fibrinogen-degrading components (M r , 120 000 and 150 000) have been identified by sodium dodecyl sulfate-polyacrylamide gel electrophoresis in substrate-containing gels. Fibrinogen degradation by the M r -120 000 and -150 000 proteases was enhanced by reducing agents, completely inhibited by N-α-p-tosyl-L-lysyl chloromethyl ketone, and partially inhibited by n-ethyl maleimide, suggesting that these enzymes are thiol-dependent proteases with trypsinlike substrate specificity. The fibrinogen-binding component could be separated from the fibrinogen-degrading components by selective solubilization of bacteria in sodium deoxycholate

  7. Specific cell components of Bacteroides gingivalis mediate binding and degradation of human fibrinogen

    Energy Technology Data Exchange (ETDEWEB)

    Lantz, M.S.; Allen, R.D.; Vail, T.A.; Switalski, L.M.; Hook, M. (Univ. of Alabama at Birmingham (USA))

    1991-01-01

    Bacteroides (Porphyromonas) gingivalis, which has been implicated as an etiologic agent in human periodontal diseases, has been shown to bind and degrade human fibrinogen. B. gingivalis strains bind fibrinogen reversibly and with high affinity and bind to a specific region of the fibrinogen molecule that appears to be located between the D and E domains. The authors now report that human fibrinogen is bound and then degraded by specific B. gingivalis components that appear to be localized at the cell surface. Fibrinogen binding to bacterial cells occurred at 4, 22, and 37{degree}C. A functional fibrinogen-binding component (M{sub r}, 150 000) was identified when sodium dodecyl sulfate-solubilized bacteria were fractionated by sodium dodecyl sulfate-polyacrylamide gel electrophoresis, transferred to nitrocellulose membranes, and probed with {sup 125}I-fibrinogen. Fibrinogen degradation did not occur at 4{degree}C but did occur at 22 and 37{degree}C. When bacteria and iodinated fibrinogen were incubated at 37{degree}C, two major fibrinogen fragments (M{sub r}, 97 000 and 50 000) accumulated in incubation mixture supernatant fractions. Two major fibrinogen-degrading components (M{sub r}, 120 000 and 150 000) have been identified by sodium dodecyl sulfate-polyacrylamide gel electrophoresis in substrate-containing gels. Fibrinogen degradation by the M{sub r}-120 000 and -150 000 proteases was enhanced by reducing agents, completely inhibited by N-{alpha}-p-tosyl-L-lysyl chloromethyl ketone, and partially inhibited by n-ethyl maleimide, suggesting that these enzymes are thiol-dependent proteases with trypsinlike substrate specificity. The fibrinogen-binding component could be separated from the fibrinogen-degrading components by selective solubilization of bacteria in sodium deoxycholate.

  8. Characterization of the Organic Component of Low-Molecular-Weight Chromium-Binding Substance and Its Binding of Chromium123

    Science.gov (United States)

    Chen, Yuan; Watson, Heather M.; Gao, Junjie; Sinha, Sarmistha Halder; Cassady, Carolyn J.; Vincent, John B.

    2011-01-01

    Chromium was proposed to be an essential element over 50 y ago and was shown to have therapeutic potential in treating the symptoms of type 2 diabetes; however, its mechanism of action at a molecular level is unknown. One chromium-binding biomolecule, low-molecular weight chromium-binding substance (LMWCr or chromodulin), has been found to be biologically active in in vitro assays and proposed as a potential candidate for the in vivo biologically active form of chromium. Characterization of the organic component of LMWCr has proven difficult. Treating bovine LMWCr with trifluoroacetic acid followed by purification on a graphite powder micro-column generates a heptapeptide fragment of LMWCr. The peptide sequence of the fragment was analyzed by MS and tandem MS (MS/MS and MS/MS/MS) using collision-induced dissociation and post-source decay. Two candidate sequences, pEEEEGDD and pEEEGEDD (where pE is pyroglutamate), were identified from the MS/MS experiments; additional tandem MS suggests the sequence is pEEEEGDD. The N-terminal glutamate residues explain the inability to sequence LMWCr by the Edman method. Langmuir isotherms and Hill plots were used to analyze the binding constants of chromic ions to synthetic peptides similar in composition to apoLMWCr. The sequence pEEEEGDD was found to bind 4 chromic ions per peptide with nearly identical cooperativity and binding constants to those of apoLMWCr. This work should lead to further studies elucidating or eliminating a potential role for LMWCr in treating the symptoms of type 2 diabetes and other conditions resulting from improper carbohydrate and lipid metabolism. PMID:21593351

  9. MetalS2: a tool for the structural alignment of minimal functional sites in metal-binding proteins and nucleic acids.

    Science.gov (United States)

    Andreini, Claudia; Cavallaro, Gabriele; Rosato, Antonio; Valasatava, Yana

    2013-11-25

    We developed a new software tool, MetalS(2), for the structural alignment of Minimal Functional Sites (MFSs) in metal-binding biological macromolecules. MFSs are 3D templates that describe the local environment around the metal(s) independently of the larger context of the macromolecular structure. Such local environment has a determinant role in tuning the chemical reactivity of the metal, ultimately contributing to the functional properties of the whole system. On our example data sets, MetalS(2) unveiled structural similarities that other programs for protein structure comparison do not consistently point out and overall identified a larger number of structurally similar MFSs. MetalS(2) supports the comparison of MFSs harboring different metals and/or with different nuclearity and is available both as a stand-alone program and a Web tool ( http://metalweb.cerm.unifi.it/tools/metals2/).

  10. Estrogen Receptor Binding Affinity of Food Contact Material Components Estimated by QSAR.

    Science.gov (United States)

    Sosnovcová, Jitka; Rucki, Marián; Bendová, Hana

    2016-09-01

    The presented work characterized components of food contact materials (FCM) with potential to bind to estrogen receptor (ER) and cause adverse effects in the human organism. The QSAR Toolbox, software application designed to identify and fill toxicological data gaps for chemical hazard assessment, was used. Estrogen receptors are much less of a lock-and-key interaction than highly specific ones. The ER is nonspecific enough to permit binding with a diverse array of chemical structures. There are three primary ER binding subpockets, each with different requirements for hydrogen bonding. More than 900 compounds approved as of FCM components were evaluated for their potential to bind on ER. All evaluated chemicals were subcategorized to five groups with respect to the binding potential to ER: very strong, strong, moderate, weak binder, and no binder to ER. In total 46 compounds were characterized as potential disturbers of estrogen receptor. Among the group of selected chemicals, compounds with high and even very high affinity to the ER binding subpockets were found. These compounds may act as gene activators and cause adverse effects in the organism, particularly during pregnancy and breast-feeding. It should be considered to carry out further in vitro or in vivo tests to confirm their potential to disturb the regulation of physiological processes in humans by abnormal ER signaling and subsequently remove these chemicals from the list of approved food contact materials. Copyright© by the National Institute of Public Health, Prague 2016

  11. Status of design code work for metallic high temperature components

    International Nuclear Information System (INIS)

    Bieniussa, K.; Seehafer, H.J.; Over, H.H.; Hughes, P.

    1984-01-01

    The mechanical components of high temperature gas-cooled reactors, HTGR, are exposed to temperatures up to about 1000 deg. C and this in a more or less corrosive gas environment. Under these conditions metallic structural materials show a time-dependent structural behavior. Furthermore changes in the structure of the material and loss of material in the surface can result. The structural material of the components will be stressed originating from load-controlled quantities, for example pressure or dead weight, and/or deformation-controlled quantities, for example thermal expansion or temperature distribution, and thus it can suffer rowing permanent strains and deformations and an exhaustion of the material (damage) both followed by failure. To avoid a failure of the components the design requires the consideration of the following structural failure modes: ductile rupture due to short-term loadings; creep rupture due to long-term loadings; reep-fatigue failure due to cyclic loadings excessive strains due to incremental deformation or creep ratcheting; loss of function due to excessive deformations; loss of stability due to short-term loadings; loss of stability due to long-term loadings; environmentally caused material failure (excessive corrosion); fast fracture due to instable crack growth

  12. The relationship between metal toxicity and biotic ligand binding affinities in aquatic and soil organisms: a review.

    Science.gov (United States)

    Ardestani, Masoud M; van Straalen, Nico M; van Gestel, Cornelis A M

    2014-12-01

    The biotic ligand model (BLM) is a theoretical, potentially mechanistic approach to assess metal bioavailability in soil and aquatic systems. In a BLM, toxicity is linked to the fraction of biotic ligand occupied, which in turn, depends on the various components of the solution, including activity of the metal. Bioavailability is a key factor in determining toxicity and uptake of metals in organisms. In this study, the present status of BLM development for soil and aquatic organisms is summarized. For all species and all metals, toxicity was correlated with the conditional biotic ligand binding constants. For almost all organisms, values for Ag, Cu, and Cd were higher than those for Zn and Ni. The constants derived for aquatic systems seem to be equally valid for soil organisms, but in the case of soils, bioavailability from the soil solution is greatly influenced by the presence of the soil solid phase. Copyright © 2014 Elsevier Ltd. All rights reserved.

  13. Metal-binding silica materials for wastewater cleanup

    Energy Technology Data Exchange (ETDEWEB)

    Kroh, F.O. [TPL, Inc., Albuquerque, NM (United States)

    1997-10-01

    In this Phase I Small Business Innovation Research program, TPL, Inc. is developing two series of high-efficiency covalently modified silica materials for removing heavy metal ions from wastewater. These materials have metal ion capacities greatly exceeding those of commercial ion exchange resins. One series, containing thiol groups, has high capacity for {open_quotes}soft{close_quotes} heavy metal ions such as Hg, Pb, Ag, and Cd; the other, containing quaternary ammonium groups, has high capacity for anionic metal ions such as pertechnetate, arsenate, selenite, and chromate. These materials have high selectivity for the contaminant metals and will function well in harsh systems that inactivate other systems.

  14. Metal-organic frameworks with dynamic interlocked components

    Science.gov (United States)

    Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.

    2012-06-01

    The dynamics of mechanically interlocked molecules such as rotaxanes and catenanes have been studied in solution as examples of rudimentary molecular switches and machines, but in this medium, the molecules are randomly dispersed and their motion incoherent. As a strategy for achieving a higher level of molecular organization, we have constructed a metal-organic framework material using a [2]rotaxane as the organic linker and binuclear Cu(II) units as the nodes. Activation of the as-synthesized material creates a void space inside the rigid framework that allows the soft macrocyclic ring of the [2]rotaxane to rotate rapidly, unimpeded by neighbouring molecular components. Variable-temperature 13C and 2H solid-state NMR experiments are used to characterize the nature and rate of the dynamic processes occurring inside this unique material. These results provide a blueprint for the future creation of solid-state molecular switches and molecular machines based on mechanically interlocked molecules.

  15. Hydrogen transport behavior of metal coatings for plasma facing components

    International Nuclear Information System (INIS)

    Anderl, R.A.; Holland, D.F.; Longhurst, G.R.

    1990-01-01

    Plasma-facing components for experimental and commercial fusion reactor studies may include cladding or coatings of refractory metals like tungsten on metallic structural substrates such as copper, vanadium alloys and austenitic stainless steel. Issues of safety and fuel economy include the potential for inventory buildup and permeation of tritium implanted into the plasma-facing surface. This paper reports on laboratory-scale studies with 3-keV D 3 + ion beams to investigate the hydrogen transport behavior in tungsten coatings on substrates of copper. These experiments entailed measurements of the deuterium re-emission and permeation rates for tungsten, copper, and tungsten-coated copper specimens at temperatures ranging from 638 K to 825 K and implanting particle fluxes of approximately 5 x 10 19 D/m 2 s. Diffusion constants and surface recombination coefficients with enhancement factors due to sputtering were obtained from these measurements. These data may be used in calculations to estimate permeation rates and inventory buildups for proposed diverter designs. 18 refs., 3 figs., 3 tabs

  16. Binding of heavy metal ions in aggregates of microbial cells, EPS and biogenic iron minerals measured in-situ using metal- and glycoconjugates-specific fluorophores

    Science.gov (United States)

    Hao, Likai; Guo, Yuan; Byrne, James M.; Zeitvogel, Fabian; Schmid, Gregor; Ingino, Pablo; Li, Jianli; Neu, Thomas R.; Swanner, Elizabeth D.; Kappler, Andreas; Obst, Martin

    2016-05-01

    Aggregates consisting of bacterial cells, extracellular polymeric substances (EPS) and Fe(III) minerals formed by Fe(II)-oxidizing bacteria are common at bulk or microscale chemical interfaces where Fe cycling occurs. The high sorption capacity and binding capacity of cells, EPS, and minerals controls the mobility and fate of heavy metals. However, it remains unclear to which of these component(s) the metals will bind in complex aggregates. To clarify this question, the present study focuses on 3D mapping of heavy metals sorbed to cells, glycoconjugates that comprise the majority of EPS constituents, and Fe(III) mineral aggregates formed by the phototrophic Fe(II)-oxidizing bacteria Rhodobacter ferrooxidans SW2 using confocal laser scanning microscopy (CLSM) in combination with metal- and glycoconjugates-specific fluorophores. The present study evaluated the influence of glycoconjugates, microbial cell surfaces, and (biogenic) Fe(III) minerals, and the availability of ferrous and ferric iron on heavy metal sorption. Analyses in this study provide detailed knowledge on the spatial distribution of metal ions in the aggregates at the sub-μm scale, which is essential to understand the underlying mechanisms of microbe-mineral-metal interactions. The heavy metals (Au3+, Cd2+, Cr3+, CrO42-, Cu2+, Hg2+, Ni2+, Pd2+, tributyltin (TBT) and Zn2+) were found mainly sorbed to cell surfaces, present within the glycoconjugates matrix, and bound to the mineral surfaces, but not incorporated into the biogenic Fe(III) minerals. Statistical analysis revealed that all ten heavy metals tested showed relatively similar sorption behavior that was affected by the presence of sorbed ferrous and ferric iron. Results in this study showed that in addition to the mineral surfaces, both bacterial cell surfaces and the glycoconjugates provided most of sorption sites for heavy metals. Simultaneously, ferrous and ferric iron ions competed with the heavy metals for sorption sites on the organic

  17. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

    Energy Technology Data Exchange (ETDEWEB)

    Hegde, Ganesh, E-mail: ghegde@purdue.edu; Povolotskyi, Michael; Kubis, Tillmann; Klimeck, Gerhard, E-mail: gekco@purdue.edu [Network for Computational Nanotechnology (NCN), Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Boykin, Timothy [Department of Electrical and Computer Engineering, University of Alabama, Huntsville, Alabama (United States)

    2014-03-28

    Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

  18. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

    International Nuclear Information System (INIS)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Klimeck, Gerhard; Boykin, Timothy

    2014-01-01

    Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales

  19. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation

    Science.gov (United States)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Boykin, Timothy; Klimeck, Gerhard

    2014-03-01

    Semi-empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper, an environment-aware and transferable TB model suitable for electronic structure and transport simulations in technologically relevant metals, metallic alloys, metal nanostructures, and metallic interface systems are described. Part I of this paper describes the development and validation of the new TB model. The new model incorporates intra-atomic diagonal and off-diagonal elements for implicit self-consistency and greater transferability across bonding environments. The dependence of the on-site energies on strain has been obtained by appealing to the Moments Theorem that links closed electron paths in the system to energy moments of angular momentum resolved local density of states obtained ab initio. The model matches self-consistent density functional theory electronic structure results for bulk face centered cubic metals with and without strain, metallic alloys, metallic interfaces, and metallic nanostructures with high accuracy and can be used in predictive electronic structure and transport problems in metallic systems at realistically extended length scales.

  20. How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic Agent

    Science.gov (United States)

    Dudev, Todor; Grauffel, Cédric; Lim, Carmay

    2017-02-01

    Adenosine triphosphate (ATP), the major energy currency of the cell, exists in solution mostly as ATP-Mg. Recent experiments suggest that Mg2+ interacts with the highly charged ATP triphosphate group and Li+ can co-bind with the native Mg2+ to form ATP-Mg-Li and modulate the neuronal purine receptor response. However, it is unclear how the negatively charged ATP triphosphate group binds Mg2+ and Li+ (i.e. which phosphate group(s) bind Mg2+/Li+) and how the ATP solution conformation depends on the type of metal cation and the metal-binding mode. Here, we reveal the preferred ATP-binding mode of Mg2+/Li+ alone and combined: Mg2+ prefers to bind ATP tridentately to each of the three phosphate groups, but Li+ prefers to bind bidentately to the terminal two phosphates. We show that the solution ATP conformation depends on the cation and its binding site/mode, but it does not change significantly when Li+ binds to Mg2+-loaded ATP. Hence, ATP-Mg-Li, like Mg2+-ATP, can fit in the ATP-binding site of the host enzyme/receptor, activating specific signaling pathways.

  1. Regulation of the heavy metal pump AtHMA4 by a metal-binding autoinhibitory domain

    DEFF Research Database (Denmark)

    Bækgaard, Lone; Roed, Maria Dalgaard; Zhang, Yang

    Heavy metal pumps, or P1B ATPases, are important for heavy metal homeostasis in most cells. In general, these pumps contain extended N- and/or C-termini with one or more metal-binding domains (MBDs), but the role of the extended termini is still not clear. The Arabidopsis thaliana Zn2+-ATPase At......HMA4 contains a very long C-terminus with 13 cysteine pairs and an 11 amino acid residue long histidine stretch at the end. To ascertain the role of the potentially metal-binding domains in the C-terminus of AtHMA4, the C-terminal region alone was expressed in yeast. This resulted in increased Zn...

  2. Metal centre effects on HNO binding in porphyrins and the electronic origin: metal's electronic configuration, position in the periodic table, and oxidation state.

    Science.gov (United States)

    Yang, Liu; Fang, Weihai; Zhang, Yong

    2012-04-21

    HNO binds to many different metals in organometallic and bioinorganic chemistry. To help understand experimentally observed metal centre effects, a quantum chemical investigation was performed, revealing clear general binding trends with respect to metal centre characteristics and the electronic origin for the first time. This journal is © The Royal Society of Chemistry 2012

  3. Dynamic Multi-Component Covalent Assembly for the Reversible Binding of Secondary Alcohols and Chirality Sensing

    Science.gov (United States)

    You, Lei; Berman, Jeffrey S.; Anslyn, Eric V.

    2011-01-01

    Reversible covalent bonding is often employed for the creation of novel supramolecular structures, multi-component assemblies, and sensing ensembles. In spite of remarkable success of dynamic covalent systems, the reversible binding of a mono-alcohol with high strength is challenging. Here we show that a strategy of carbonyl activation and hemiaminal ether stabilization can be embodied in a four-component reversible assembly that creates a tetradentate ligand and incorporates secondary alcohols with exceptionally high affinity. Evidence is presented that the intermediate leading to binding and exchange of alcohols is an iminium ion. Further, to demonstrate the use of this assembly process we explored chirality sensing and enantiomeric excess determinations. An induced twist in the ligand by a chiral mono-ol results in large Cotton effects in the circular dichroism spectra indicative of the alcohol’s handedness. The strategy revealed in this study should prove broadly applicable for the incorporation of alcohols into supramolecular architecture construction. PMID:22109274

  4. Carrageenans as a new source of drugs with metal binding properties.

    Science.gov (United States)

    Khotimchenko, Yuri S; Khozhaenko, Elena V; Khotimchenko, Maxim Y; Kolenchenko, Elena A; Kovalev, Valeri V

    2010-04-01

    Carrageenans are abundant and safe non-starch polysaccharides exerting their biological effects in living organisms. Apart from their known pro-inflammation properties and some pharmacological activity, carrageenans can also strongly bind and hold metal ions. This property can be used for creation of the new drugs for elimination of metals from the body or targeted delivery of these metal ions for healing purposes. Metal binding activity of different carrageenans in aqueous solutions containing Y(3+) or Pb(2+) ions was studied in a batch sorption system. The metal uptake by carrageenans is not affected by the change of the pH within the range from 2.0 to 6.0. The rates and binding capacities of carrageenans regarding metal ions were evaluated. The Langmuir, Freundlich and BET sorption models were applied to describe the isotherms and constants, and the sorption isothermal data could be explained well by the Langmuir equation. The results obtained through the study suggest that kappa-, iota-, and lambda-carrageenans are favorable sorbents. The largest amount of Y(3+) and Pb(2+) ions are bound by iota-carrageenan. Therefore, it can be concluded that this type of polysaccharide is the more appropriate substance for elaboration of the drugs with high selective metal binding properties.

  5. Carrageenans as a New Source of Drugs with Metal Binding Properties

    Directory of Open Access Journals (Sweden)

    Yuri S. Khotimchenko

    2010-04-01

    Full Text Available Carrageenans are abundant and safe non-starch polysaccharides exerting their biological effects in living organisms. Apart from their known pro-inflammation properties and some pharmacological activity, carrageenans can also strongly bind and hold metal ions. This property can be used for creation of the new drugs for elimination of metals from the body or targeted delivery of these metal ions for healing purposes. Metal binding activity of different carrageenans in aqueous solutions containing Y3+ or Pb2+ ions was studied in a batch sorption system. The metal uptake by carrageenans is not affected by the change of the pH within the range from 2.0 to 6.0. The rates and binding capacities of carrageenans regarding metal ions were evaluated. The Langmuir, Freundlich and BET sorption models were applied to describe the isotherms and constants, and the sorption isothermal data could be explained well by the Langmuir equation. The results obtained through the study suggest that κ-, ι-, and λ-carrageenans are favorable sorbents. The largest amount of Y3+ and Pb2+ ions are bound by i-carrageenan. Therefore, it can be concluded that this type of polysaccharide is the more appropriate substance for elaboration of the drugs with high selective metal binding properties.

  6. Contaminated Metal Components in Dismantling by Hot Cutting Processes

    International Nuclear Information System (INIS)

    Cesari, Franco G.; Conforti, Gianmario; Rogante, Massimo; Giostri, Angelo

    2006-01-01

    During the preparatory dismantling activities of Caorso's Nuclear Power Plant (NPP), an experimental campaign using plasma and oxyacetylene metal cutting processes has been performed and applied to plates and tubes exposed to the coolant steam of the reactor. The plant (Boiling Water Reactor, 870 MWe) was designed and built in the 70's, and it was fully operating by 1981 to 1986 being shut down after 1987 Italy's poll that abrogated nuclear power based on U235 fission. The campaign concerns no activated materials, even if the analyses have been performed of by use contaminated components under the free release level, not yet taking into account radioactivity. In this paper, the parameters related to inhalable aerosol, solid and volatile residuals production have been, studied during hot processes which applies the same characteristics of the cutting in field for the dismantling programs of Caorso NPP. The technical parameters such as cutting time and cutting rate vs. pipe diameter/thickness/schedule or plate thickness for ferritic alloys and the emissions composition coming from the sectioning are also reported. The results underline the sort of trouble that can emerge in the cutting processes, in particular focusing on the effects comparison between the two cutting processes and the chemical composition of powders captured by filtering the gaseous emission. Some preliminary considerations on methodology to be used during the dismantling have been presented. (authors)

  7. Metal binding characterization and conformational studies using Raman microscopy of resin-bound poly(aspartic acid).

    Science.gov (United States)

    Stair, Jacqueline L; Holcombe, James A

    2007-03-01

    The metal binding capacities, conditional stability constants, and secondary structure of immobilized polyaspartic acid (PLAsp) (n = 6, 20, and 30) on TentaGel resin were determined when binding Mg2+, Co2+, Cd2+, and Ni2+. Metal binding to the synthesized peptides was evaluated using breakthrough curves from a packed microcolumn and flame atomic absorption spectrophotometry (FAAS) detection. The metal capacities reached values of 590, 2160, and 3710 mumol of metal/g of resin for the 6-mer, 20-mer, and 30-mer, respectively, and this resulted in 2-3 residues per metal for all peptides and metals tested. Surprisingly, the concentrated environment of the resin along with the spatial distribution of attachment groups allowed for most residues to participate in metal binding regardless of the peptide length. Conditional stability constants calculated using single metal binding isotherms indicated that binding strength decreased as the chain length increased on the resin. Raman microscopy on single beads was used to determine PLAsp secondary structure, and all peptides were of a mixed conformation (i.e., beta-sheets, alpha-helices, random chain, etc.) during neutral conditioning and metal binding. Uniquely, the longer 20-mer and 30-mer peptides showed a distinct change from a mixed conformation to beta-sheets and alpha-helices during metal release with acid. This study confirms that metal release by longer immobilized peptides is often assisted by a conformational change, which easily spoils the binding cavity, while shorter peptides may release metal primarily by H+ displacement.

  8. Utilization of ICP/OES for the determination of trace metal binding to different humic fractions.

    Science.gov (United States)

    de la Rosa, G; Peralta-Videa, J R; Gardea-Torresdey, J L

    2003-02-28

    In this study, the use of inductively coupled plasma/optical emission spectrometry (ICP/OES) to determine multi-metal binding to three biomasses, Sphagnum peat moss, humin and humic acids is reported. All the investigations were performed under part per billion (ppb) concentrations. Batch pH profile experiments were performed using multi-metal solutions of Cd(II), Cu(II), Pb(II), Ni(II), Cr(III) and Cr(VI). The results showed that at pH 2 and 3, the metal affinity of the three biomasses exposed to the multi-metal solution that included Cr(III) presented the following order: Cu(II), Pb(II)>Ni(II)>Cr(III)>Cd(II). On the other hand, when Cr(VI) was in the heavy metal mixture, Sphagnum peat moss and humin showed the following affinity: Cu(II), Pb(II)>Ni(II)>Cr(VI)>Cd(II); however, the affinity of the humic acids was: Cu(II)>Pb(II), Cr(VI)>Ni(II)>Cd(II). The results demonstrated that pH values of 4 and 5 were the most favorable for the heavy metal binding process. At pH 5, all the metals, except for Cr(VI), were bound between 90 and 100% to the three biomasses. However, the binding capacity of humic acids decreased at pH 6 in the presence of Cr(VI). The results showed that the ICP/OES permits the determination of heavy metal binding to organic matter at ppb concentration. These results will be very useful in understanding the role of humic substances in the fate and transport of heavy metals, and thus could provide information to develop new methodologies for the removal of low concentrations of toxic heavy metals from contaminated waters.

  9. Fatty acid and drug binding to a low-affinity component of human serum albumin, purified by affinity chromatography

    DEFF Research Database (Denmark)

    Vorum, H; Pedersen, A O; Honoré, B

    1992-01-01

    Binding equilibria for decanoate to a defatted, commercially available human serum albumin preparation were investigated by dialysis exchange rate determinations. The binding isotherm could not be fitted by the general binding equation. It was necessary to assume that the preparation was a mixture...... of two albumin components about 40% of the albumin having high affinity and about 60% having low affinity. By affinity chromatography we succeeded in purifying the low-affinity component from the mixture. The high-affinity component, however, could not be isolated. We further analyzed the fatty acid...... and drug binding abilities of the low-affinity component. The fatty acids decanoate, laurate, myristate and palmitate were bound with higher affinity to the mixture than to the low-affinity component. Diazepam was bound with nearly the same affinity to the low-affinity component as to the albumin mixture...

  10. Phloem RNA-binding proteins as potential components of the long-distance RNA transport system.

    Directory of Open Access Journals (Sweden)

    VICENTE ePALLAS

    2013-05-01

    Full Text Available RNA-binding proteins (RBPs govern a myriad of different essential processes in eukaryotic cells. Recent evidence reveals that apart from playing critical roles in RNA metabolism and RNA transport, RBPs perform a key function in plant adaption to various environmental conditions. Long distance RNA transport occurs in land plants through the phloem, a conducting tissue that integrates the wide range of signalling pathways required to regulate plant development and response to stress processes. The macromolecules in the phloem pathway vary greatly and include defence proteins, transcription factors, chaperones acting in long distance trafficking, and RNAs (mRNAs, siRNAs and miRNAs. How these RNA molecules translocate through the phloem is not well understood, but recent evidence indicates the presence of translocatable RNA-binding proteins in the phloem, which act as potential components of long distance RNA transport system. This review updates our knowledge on the characteristics and functions of RBPs present in the phloem.

  11. First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Mann, Gregory W., E-mail: gmann@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Mesosphere, Inc., San Francisco, California 94105 (United States); Lee, Kyuho, E-mail: kyuholee@lbl.gov [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Synopsys, Inc., Mountain View, California 94043 (United States); Cococcioni, Matteo, E-mail: matteo.cococcioni@epfl.ch [Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne, Lausanne (Switzerland); Smit, Berend, E-mail: Berend-Smit@berkeley.edu [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720 (United States); Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, Valais Ecole Polytechnique Fédérale de Lausanne (EPFL), Rue de l’Industrie 17, CH-1951 Sion (Switzerland); Neaton, Jeffrey B., E-mail: jbneaton@lbl.gov [Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Department of Physics, University of California, Berkeley, California 94720 (United States); Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2016-05-07

    We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van der Waals dispersion-corrected functionals, we determine Hubbard U values ab initio through an established linear response procedure for M-MOF-74, for a number of different metal centers (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu). While our ab initio U values differ from those used in previous work, we show that they result in lattice parameters and electronic contributions to CO{sub 2}-MOF binding energies that lead to excellent agreement with experiments and previous results, yielding lattice parameters within 3%. In addition, U-dependent calculations for an example system, Co-MOF-74, suggest that the CO{sub 2} binding energy grows monotonically with the value of Hubbard U, with the binding energy shifting 4 kJ/mol (or 0.041 eV) over the range of U = 0-5.4 eV. These results provide insight into an approximate but computationally efficient means for calculation of small molecule binding energies to open-shell transition metal atoms in MOFs and suggest that the approach can be predictive with good accuracy, independent of the cations used and the availability of experimental data.

  12. First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

    International Nuclear Information System (INIS)

    Mann, Gregory W.; Lee, Kyuho; Cococcioni, Matteo; Smit, Berend; Neaton, Jeffrey B.

    2016-01-01

    We apply first-principles approaches with Hubbard U corrections for calculation of small molecule binding energetics to open-shell transition metal atoms in metal-organic frameworks (MOFs). Using density functional theory with van der Waals dispersion-corrected functionals, we determine Hubbard U values ab initio through an established linear response procedure for M-MOF-74, for a number of different metal centers (M = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu). While our ab initio U values differ from those used in previous work, we show that they result in lattice parameters and electronic contributions to CO 2 -MOF binding energies that lead to excellent agreement with experiments and previous results, yielding lattice parameters within 3%. In addition, U-dependent calculations for an example system, Co-MOF-74, suggest that the CO 2 binding energy grows monotonically with the value of Hubbard U, with the binding energy shifting 4 kJ/mol (or 0.041 eV) over the range of U = 0-5.4 eV. These results provide insight into an approximate but computationally efficient means for calculation of small molecule binding energies to open-shell transition metal atoms in MOFs and suggest that the approach can be predictive with good accuracy, independent of the cations used and the availability of experimental data.

  13. Growth-inhibitory and metal-binding proteins in Chlorella vulgaris exposed to cadmium or zinc

    Energy Technology Data Exchange (ETDEWEB)

    Huang Zhiyong [College of Bioengineering, Jimei University, Xiamen, 361021 (China)], E-mail: zhyhuang@jmu.edu.cn; Li Lianping; Huang Gaoling [College of Bioengineering, Jimei University, Xiamen, 361021 (China); Yan Qingpi [College of fisheries, Jimei University, Xiamen, 361021 (China); Shi Bing; Xu Xiaoqin [Xiamen Products Quality Inspection Institute, Xiamen, 361004 (China)

    2009-01-18

    Phytochelatins, with the general structure of ({gamma}-Glu-Cys)n-Gly (n = 2-11), are usually recognized as being strongly induced by metals in microalgae and play an important role in the detoxification of heavy metals in environment. However, there have been few studies on metallothionein (MT) synthesis in Chlorella vulgaris (C. vulgaris) exposed to heavy metals. The present study describes the growth inhibition of C. vulgaris exposed to different concentrations of cadmium and zinc, and the induction of metal-binding MT-like proteins in the cells. The amounts of metal-binding proteins, induced in the alga exposed to different concentrations of Cd and Zn, were analyzed with a size-exclusion HPLC coupled to ICP-MS. After being purified with a gel filtration column (Sephadex G-75, 3.5 cm x 80 cm) and a desalting column (G-25, 1.5 cm x 30 cm), the isoforms and sub-isoforms of Zn-binding protein were characterized by a reverse phase-HPLC coupled to electrospray ionization and a triple quadrupole mass spectrometer (HPLC-ESI-MS/MS). In addition, the ultraviolet spectra of purified Zn-binding proteins were analyzed in media with different pH values. The results showed that the significant inhibitory effects (at p < 0.05) on the cell growth were observed when excessive metals such as 80 {mu}mol l{sup -1} of Cd, and 60 and 80 {mu}mol l{sup -1} of Zn were added. The Cd/Zn-binding proteins induced in C. vulgaris exposed to Cd and Zn were referred to as Cd/Zn-MT-like proteins in which the mean molecular mass of the apo-MT-like was 6152 Da. The induced Cd/Zn-MT-like proteins might be involved in the detoxification of heavy metals, such as cadmium and zinc, by the alga.

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

    Science.gov (United States)

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

    2017-01-01

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

  15. Importance of diffuse metal ion binding to RNA.

    Science.gov (United States)

    Tan, Zhi-Jie; Chen, Shi-Jie

    2011-01-01

    RNAs are highly charged polyanionic molecules. RNA structure and function are strongly correlated with the ionic condition of the solution. The primary focus of this article is on the role of diffusive ions in RNA folding. Due to the long-range nature of electrostatic interactions, the diffuse ions can contribute significantly to RNA structural stability and folding kinetics. We present an overview of the experimental findings as well as the theoretical developments on the diffuse ion effects in RNA folding. This review places heavy emphasis on the effect of magnesium ions. Magnesium ions play a highly efficient role in stabilizing RNA tertiary structures and promoting tertiary structural folding. The highly efficient role goes beyond the mean-field effect such as the ionic strength. In addition to the effects of specific ion binding and ion dehydration, ion-ion correlation for the diffuse ions can contribute to the efficient role of the multivalent ions such as the magnesium ions in RNA folding.

  16. 21 CFR 888.3030 - Single/multiple component metallic bone fixation appliances and accessories.

    Science.gov (United States)

    2010-04-01

    ... appliances and accessories. 888.3030 Section 888.3030 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT....3030 Single/multiple component metallic bone fixation appliances and accessories. (a) Identification. Single/multiple component metallic bone fixation appliances and accessories are devices intended to be...

  17. Synthesis, characterization, anti-microbial, DNA binding and cleavage studies of Schiff base metal complexes

    Directory of Open Access Journals (Sweden)

    Poomalai Jayaseelan

    2016-09-01

    Full Text Available A novel Schiff base ligand has been prepared by the condensation between butanedione monoxime with 3,3′-diaminobenzidine. The ligand and metal complexes have been characterized by elemental analysis, UV, IR, 1H NMR, conductivity measurements, EPR and magnetic studies. The molar conductance studies of Cu(II, Ni(II, Co(II and Mn(II complexes showed non-electrolyte in nature. The ligand acts as dibasic with two N4-tetradentate sites and can coordinate with two metal ions to form binuclear complexes. The spectroscopic data of metal complexes indicated that the metal ions are complexed with azomethine nitrogen and oxyimino nitrogen atoms. The binuclear metal complexes exhibit octahedral arrangements. DNA binding properties of copper(II metal complex have been investigated by electronic absorption spectroscopy. Results suggest that the copper(II complex bind to DNA via an intercalation binding mode. The nucleolytic cleavage activities of the ligand and their complexes were assayed on CT-DNA using gel electrophoresis in the presence and absence of H2O2. The ligand showed increased nuclease activity when administered as copper complex and copper(II complex behave as efficient chemical nucleases with hydrogen peroxide activation. The anti-microbial activities and thermal studies have also been studied. In anti-microbial activity all complexes showed good anti-microbial activity higher than ligand against gram positive, gram negative bacteria and fungi.

  18. Growth-inhibitory and metal-binding proteins in Chlorella vulgaris exposed to cadmium or zinc

    International Nuclear Information System (INIS)

    Huang Zhiyong; Li Lianping; Huang Gaoling; Yan Qingpi; Shi Bing; Xu Xiaoqin

    2009-01-01

    Phytochelatins, with the general structure of (γ-Glu-Cys)n-Gly (n = 2-11), are usually recognized as being strongly induced by metals in microalgae and play an important role in the detoxification of heavy metals in environment. However, there have been few studies on metallothionein (MT) synthesis in Chlorella vulgaris (C. vulgaris) exposed to heavy metals. The present study describes the growth inhibition of C. vulgaris exposed to different concentrations of cadmium and zinc, and the induction of metal-binding MT-like proteins in the cells. The amounts of metal-binding proteins, induced in the alga exposed to different concentrations of Cd and Zn, were analyzed with a size-exclusion HPLC coupled to ICP-MS. After being purified with a gel filtration column (Sephadex G-75, 3.5 cm x 80 cm) and a desalting column (G-25, 1.5 cm x 30 cm), the isoforms and sub-isoforms of Zn-binding protein were characterized by a reverse phase-HPLC coupled to electrospray ionization and a triple quadrupole mass spectrometer (HPLC-ESI-MS/MS). In addition, the ultraviolet spectra of purified Zn-binding proteins were analyzed in media with different pH values. The results showed that the significant inhibitory effects (at p -1 of Cd, and 60 and 80 μmol l -1 of Zn were added. The Cd/Zn-binding proteins induced in C. vulgaris exposed to Cd and Zn were referred to as Cd/Zn-MT-like proteins in which the mean molecular mass of the apo-MT-like was 6152 Da. The induced Cd/Zn-MT-like proteins might be involved in the detoxification of heavy metals, such as cadmium and zinc, by the alga

  19. DISTRIBUTION OF HEAVY METALS AMONG THE COMPONENTS OF FRESHWATER ECOSYSTEMS (REVIEW)

    OpenAIRE

    N. Kolesnyk

    2014-01-01

    Purpose. To review scientific sources on the distribution of heavy metals among the components of freshwater ecosystems. Findings. The review of the works of many scientists showed that heavy metals are widespread in the biotic and abiotic components of freshwater ecosystems. The article highlights the distribution of heavy metals in water, bottom sediments, natural food base, fish organs and tissues. It has been shown that as a result of global pollution of the ecosystem, the majority of...

  20. Pheromone Binding Protein EhipPBP1 Is Highly Enriched in the Male Antennae of the Seabuckthorn Carpenterworm and Is Binding to Sex Pheromone Components

    Directory of Open Access Journals (Sweden)

    Ping Hu

    2018-04-01

    Full Text Available The seabuckthorn carpenterworm moth Eogystia hippophaecolus is a major threat to seabuckthorn plantations, causing considerable ecological and economic losses in China. Transcriptomic analysis of E. hippophaecolus previously identified 137 olfactory proteins, including three pheromone-binding proteins (PBPs. We investigated the function of E. hippophaecolus PBP1 by studying its mRNA and protein expression profiles and its binding ability with different compounds. The highest levels of expression were in the antennae, particularly in males, with much lower levels of expression in the legs and external genitals. Recombinant PBP1 showed strong binding to sex-pheromone components, suggesting that antennal EhipPBP1 is involved in binding sex-pheromone components during pheromone communication.

  1. Sequential Proton Loss Electron Transfer in Deactivation of Iron(IV) Binding Protein by Tyrosine Based Food Components

    DEFF Research Database (Denmark)

    Tang, Ning; Skibsted, Leif Horsfelt

    2017-01-01

    The iron(IV) binding protein ferrylmyoglobin, MbFe(IV)=O, was found to be reduced by tyrosine based food components in aqueous solution through a sequential proton loss electron transfer reaction mechanism without binding to the protein as confirmed by isothermal titration calorimetry. Dopamine a...

  2. Sequence of ligand binding and structure change in the diphtheria toxin repressor upon activation by divalent transition metals.

    Science.gov (United States)

    Rangachari, Vijayaraghavan; Marin, Vedrana; Bienkiewicz, Ewa A; Semavina, Maria; Guerrero, Luis; Love, John F; Murphy, John R; Logan, Timothy M

    2005-04-19

    The diphtheria toxin repressor (DtxR) is an Fe(II)-activated transcriptional regulator of iron homeostatic and virulence genes in Corynebacterium diphtheriae. DtxR is a two-domain protein that contains two structurally and functionally distinct metal binding sites. Here, we investigate the molecular steps associated with activation by Ni(II)Cl(2) and Cd(II)Cl(2). Equilibrium binding energetics for Ni(II) were obtained from isothermal titration calorimetry, indicating apparent metal dissociation constants of 0.2 and 1.7 microM for two independent sites. The binding isotherms for Ni(II) and Cd(II) exhibited a characteristic exothermic-endothermic pattern that was used to infer the metal binding sequence by comparing the wild-type isotherm with those of several binding site mutants. These data were complemented by measuring the distance between specific backbone amide nitrogens and the first equivalent of metal through heteronuclear NMR relaxation measurements. Previous studies indicated that metal binding affects a disordered to ordered transition in the metal binding domain. The coupling between metal binding and structure change was investigated using near-UV circular dichroism spectroscopy. Together, the data show that the first equivalent of metal is bound by the primary metal binding site. This binding orients the DNA binding helices and begins to fold the N-terminal domain. Subsequent binding at the ancillary site completes the folding of this domain and formation of the dimer interface. This model is used to explain the behavior of several mutants.

  3. Crystal structure of glucose isomerase in complex with xylitol inhibitor in one metal binding mode.

    Science.gov (United States)

    Bae, Ji-Eun; Kim, In Jung; Nam, Ki Hyun

    2017-11-04

    Glucose isomerase (GI) is an intramolecular oxidoreductase that interconverts aldoses and ketoses. These characteristics are widely used in the food, detergent, and pharmaceutical industries. In order to obtain an efficient GI, identification of novel GI genes and substrate binding/inhibition have been studied. Xylitol is a well-known inhibitor of GI. In Streptomyces rubiginosus, two crystal structures have been reported for GI in complex with xylitol inhibitor. However, a structural comparison showed that xylitol can have variable conformation at the substrate binding site, e.g., a nonspecific binding mode. In this study, we report the crystal structure of S. rubiginosus GI in a complex with xylitol and glycerol. Our crystal structure showed one metal binding mode in GI, which we presumed to represent the inactive form of the GI. The metal ion was found only at the M1 site, which was involved in substrate binding, and was not present at the M2 site, which was involved in catalytic function. The O 2 and O 4 atoms of xylitol molecules contributed to the stable octahedral coordination of the metal in M1. Although there was no metal at the M2 site, no large conformational change was observed for the conserved residues coordinating M2. Our structural analysis showed that the metal at the M2 site was not important when a xylitol inhibitor was bound to the M1 site in GI. Thus, these findings provided important information for elucidation or engineering of GI functions. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Utilization of Plant Refuses as Component of Heavy Metal Ion ...

    African Journals Online (AJOL)

    The ability of the fabricated sensors to detect the presence of heavy metals was analyzed using electrochemical methods like cyclic voltammetry and differential pulse anodic stripping voltammetry. Results showed that the fabricated electrode were able to detect the presence of mercury and lead ions in aqueous solutions ...

  5. Feline leukemia virus infection requires a post-receptor binding envelope-dependent cellular component.

    Science.gov (United States)

    Hussain, Naveen; Thickett, Kelly R; Na, Hong; Leung, Cherry; Tailor, Chetankumar S

    2011-12-01

    Gammaretrovirus receptors have been suggested to contain the necessary determinants to mediate virus binding and entry. Here, we show that murine NIH 3T3 and baby hamster kidney (BHK) cells overexpressing receptors for subgroup A, B, and C feline leukemia viruses (FeLVs) are weakly susceptible (10(1) to 10(2) CFU/ml) to FeLV pseudotype viruses containing murine leukemia virus (MLV) core (Gag-Pol) proteins, whereas FeLV receptor-expressing murine Mus dunni tail fibroblast (MDTF) cells are highly susceptible (10(4) to 10(6) CFU/ml). However, NIH 3T3 cells expressing the FeLV subgroup B receptor PiT1 are highly susceptible to gibbon ape leukemia virus pseudotype virus, which differs from the FeLV pseudotype viruses only in the envelope protein. FeLV resistance is not caused by a defect in envelope binding, low receptor expression levels, or N-linked glycosylation. Resistance is not alleviated by substitution of the MLV core in the FeLV pseudotype virus with FeLV core proteins. Interestingly, FeLV resistance is alleviated by fusion of receptor-expressing NIH 3T3 and BHK cells with MDTF or human TE671 cells, suggesting the absence of an additional cellular component in NIH 3T3 and BHK cells that is required for FeLV infection. The putative FeLV-specific cellular component is not a secreted factor, as MDTF conditioned medium does not alleviate the block to FeLV infection. Together, our findings suggest that FeLV infection requires an additional envelope-dependent cellular component that is absent in NIH 3T3 and BHK cells but that is present in MDTF and TE671 cells.

  6. Immunogenicity test of tetanus component in adsorbed vaccines by toxin binding inhibition test

    Directory of Open Access Journals (Sweden)

    Denise Cristina Souza Matos

    2002-09-01

    Full Text Available Samples from 20 lots of diphtheria-tetanus (adult use dT vaccine and from 20 lots of diphtheria-tetanus-pertussis (DTP vaccine were used to standardize and validate the in vitro toxin binding inhibition (ToBI test for the immunogenicity test of the tetanus component. The levels of tetanus antitoxin obtained by ToBI test were compared to those obtained using the toxin neutralization (TN test in mice routinely employed to perform the quality control of the tetanus component in adsorbed vaccines. The results ranged from 1.8 to 3.5 IU/ml for dT and 2 to 4 IU/ml for DTP by ToBI test and 1.4 to 3 IU/ml for dT and 1.8 to 3.5 IU/ml for DTP by TN in mice. These results were significantly correlated. From this study, it is concluded that the ToBI test is an alternative to the in vivo neutralization procedure in the immunogenicity test of the tetanus component in adsorbed vaccines. A substantial refinement and a reduction in use of animals can be achieved.

  7. Cucumber Metallothionein-Like 2 (CsMTL2 Exhibits Metal-Binding Properties

    Directory of Open Access Journals (Sweden)

    Yu Pan

    2016-11-01

    Full Text Available We identified a novel member of the metallothionein (MT family, Cucumis sativus metallothionein-like 2 (CsMTL2, by screening a young cucumber fruit complementary DNA (cDNA library. The CsMTL2 encodes a putative 77-amino acid Class II MT protein that contains two cysteine (Cys-rich domains separated by a Cys-free spacer region. We found that CsMTL2 expression was regulated by metal stress and was specifically induced by Cd2+ treatment. We investigated the metal-binding characteristics of CsMTL2 and its possible role in the homeostasis and/or detoxification of metals by heterologous overexpression in Escherichia coli cells. Furthermore, we produced a deletion mutant form of the protein, CsMTL2m, that contained the two Cys-rich clusters but lacked the spacer region, in E. coli. We compared the metal-binding properties of CsMTL2 with those of CsMTL2m, the β domain of human metallothionein-like protein 1 (HsMTXb, and phytochelatin-like (PCL heterologously expressed in E. coli using metal-binding assays. We found that E. coli cells expressing CsMTL2 accumulated the highest levels of Zn2+ and Cd2+ of the four transformed cell types, with levels being significantly higher than those of control cells containing empty vector. E. coli cells expressing CsMTL2 had a higher tolerance for cadmium than for zinc ions. These findings show that CsMTL2 improves metal tolerance when heterologously expressed in E. coli. Future studies should examine whether CsMTL2 improves metal tolerance in planta.

  8. A New Metal Binding Domain Involved in Cadmium, Cobalt and Zinc Transport

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Aaron T. [Northwestern Univ., Evanston, IL (United States); Barupala, Dulmini [Wayne State Univ., Detroit, MI (United States); Stemmler, Timothy L. [Wayne State Univ., Detroit, MI (United States); Rosenzweig, Amy C. [Northwestern Univ., Evanston, IL (United States)

    2015-07-20

    In the P1B-ATPases, which couple cation transport across membranes to ATP hydrolysis, are central to metal homeostasis in all organisms. An important feature of P1B-ATPases is the presence of soluble metal binding domains (MBDs) that regulate transport activity. Only one type of MBD has been characterized extensively, but bioinformatics analyses indicate that a diversity of MBDs may exist in nature. Here we report the biochemical, structural and functional characterization of a new MBD from the Cupriavidus metallidurans P1B-4-ATPase CzcP (CzcP MBD). The CzcP MBD binds two Cd2+, Co2+ or Zn2+ ions in distinct and unique sites and adopts an unexpected fold consisting of two fused ferredoxin-like domains. Both in vitro and in vivo activity assays using full-length CzcP, truncated CzcP and several variants indicate a regulatory role for the MBD and distinct functions for the two metal binding sites. Moreover, these findings elucidate a previously unknown MBD and suggest new regulatory mechanisms for metal transport by P1B-ATPases.

  9. Binding of Industrial Deposits of Heavy Metals and Arsenic in the Soil by 3-Aminopropyltrimethoxysilane

    Directory of Open Access Journals (Sweden)

    Grzesiak Piotr

    2014-06-01

    Full Text Available The results of the research studies concerning binding of heavy metals and arsenic (HM+As, occurring in soils affected by emissions from Głogów Copper Smelter and Refinery, by silane nanomaterial have been described. The content of heavy metals and arsenic was determined by AAS and the effectiveness of heavy metals and arsenic binding by 3-Aminopropyltrimethoxysilane was examined. The total leaching level of impurities in those fractions was 73.26% Cu, 74.7% – Pb, 79.5% Zn, 65.81% – Cd and 55.55% As. The studies demonstrated that the total binding of heavy metals and arsenic with nanomaterial in all fractions was about as follows: 20.5% Cu, 9.5% Pb, 7.1% Zn, 25.3% Cd and 10.89% As. The results presented how the safety of food can be cultivated around industrial area, as the currently used soil stabilization technique of HM by soil pH does not guarantee their stable blocking in a sorptive complex.

  10. The use of isothermal titration calorimetry to determine the thermodynamics of metal ion binding to low-cost sorbents

    International Nuclear Information System (INIS)

    Karlsen, Vigdis; Heggset, Ellinor Baevre; Sorlie, Morten

    2010-01-01

    The thermodynamics of Al 3+ , Cr 3+ , and Pb 2+ binding to the abundant biopolymer chitin have been determined using isothermal titration calorimetry (ITC) and compared to what is observed for binding to activated carbon. The use of ITC enables the detection of two distinct binding sites on chitin for all three metal ions. For the relative strong binding sites, free energy changes ranges from -37.6 kJ/mol to -41.8 kJ/mol while the same values are from -30.1 kJ/mol to -31.8 kJ/mol for the relative weak binding sites. All binding reactions to chitin are entropically driven. Interactions of the metal ions to activated carbon are best fitted as a single-site binding with relative weak binding with free energy changes from -26.3 kJ/mol to -26.8 kJ/mol.

  11. An efficient magnetic tight-binding method for transition metals and alloys

    DEFF Research Database (Denmark)

    Barreteau, Cyrille; Spanjaard, Daniel; Desjonquères, Marie-Catherine

    2016-01-01

    that does not necessitate any further fitting is proposed to deal with systems made of several chemical elements. This model is extended to spin (and orbital) polarized materials by adding Stoner-like and spin–orbit interactions. Collinear and non-collinear magnetism as well as spin-spirals are considered......An efficient parameterized self-consistent tight-binding model for transition metals using s, p and d valence atomic orbitals as a basis set is presented. The parameters of our tight-binding model for pure elements are determined from a fit to bulk ab-initio calculations. A very simple procedure...

  12. Expressing a bacterial mercuric ion binding protein in plant for phytoremediation of heavy metals.

    Science.gov (United States)

    Hsieh, Ju-Liang; Chen, Ching-Yi; Chiu, Meng-Hsuen; Chein, Mei-Fang; Chang, Jo-Shu; Endo, Ginro; Huang, Chieh-Chen

    2009-01-30

    A specific mercuric ion binding protein (MerP) originating from transposon TnMERI1 of Bacillus megaterium strain MB1 isolated from Minamata Bay displayed good adsorption capability for a variety of heavy metals. In this study, the Gram-positive MerP protein was expressed in transgenic Arabidopsis to create a model system for phytoremediation of heavy metals. Under control of an actin promoter, the transgenic Arabidpsis showed higher tolerance and accumulation capacity for mercury, cadium and lead when compared with the control plant. Results from confocal microscopy analysis also indicate that MerP was localized at the cell membrane and vesicles of plant cells. The developed transgenic plants possessing excellent metal-accumulative ability could have potential applications in decontamination of heavy metals.

  13. Trabecular metal acetabular components in primary total hip arthroplasty

    DEFF Research Database (Denmark)

    Laaksonen, Inari; Lorimer, Michelle; Gromov, Kirill

    2018-01-01

    Background and purpose - Trabecular metal (TM) cups have demonstrated favorable results in acetabular revision and their use in primary total hip arthroplasty (THA) is increasing. Some evidence show that TM cups might decrease periprosthetic infection (PPI) incidence. We compared the survivorship...... of TM cups with that of other uncemented cups in primary THA, and evaluated whether the use of TM cups is associated with a lower risk of PPI. Patients and methods - 10,113 primary THAs with TM cup and 85,596 THAs with other uncemented cups from 2 high-quality national arthroplasty registries were...

  14. Heavy metals in the landscape components of the Kalmykia

    Directory of Open Access Journals (Sweden)

    L. Ch. Sangadzhieva

    2010-01-01

    Full Text Available The concentrations of heavy metals (Cr, Co, Ni, Cu, Zn, Cd, Pb in the soil of nord-west part of Precaspian low-land and their subsequent distribution over the trophic chain: plant fodder - sheep are investiqаtеd. It was revealed that the highest biogenic accumulation is characteristic of Zn and Cu at all the levels of trophic chain. An increase in the transition coefficients for the most toxic elements Pb, Cd is observed, which is an evidence of their accumulation in the higher levels of trophic chain.

  15. Metal plutonium conversion to components of nuclear reactor fuel

    International Nuclear Information System (INIS)

    Subbotin, V.G.; Panov, A.V.; Mashirev, V.P.

    2000-01-01

    Capabilities of different technologies for plutonium conversion to the fuel components of nuclear reactors are studied. Advantages and shortcomings of aqueous and nonaqueous methods of plutonium treatment are shown. Proposals to combine and coordinate efforts of world scientific and technological community in solving problems concerning plutonium of energetic and weapon origin treatment were put forward. (authors)

  16. Metal plutonium conversion to components of nuclear reactor fuel

    Energy Technology Data Exchange (ETDEWEB)

    Subbotin, V.G.; Panov, A.V. [Russian Federal Nuclear Center, ALL-Russian Science and Research, Institute of Technical Physics, Snezhinsk (Russian Federation); Mashirev, V.P. [ALL-Russian Science and Research Institute of Chemical Technology, Moscow (Russian Federation)

    2000-07-01

    Capabilities of different technologies for plutonium conversion to the fuel components of nuclear reactors are studied. Advantages and shortcomings of aqueous and nonaqueous methods of plutonium treatment are shown. Proposals to combine and coordinate efforts of world scientific and technological community in solving problems concerning plutonium of energetic and weapon origin treatment were put forward. (authors)

  17. Small specimen technique for assessing mechanical properties of metallic components

    Energy Technology Data Exchange (ETDEWEB)

    Lobo, Raquel M.; Andrade, Arnaldo H.P.; Morcelli, Aparecido E., E-mail: rmlobo@ipen.br, E-mail: morcelliae@gmail.com [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2017-11-01

    Small Punch Test (SPT) is one of the most promising techniques of small specimen test, which was originally applied in testing of irradiated materials in nuclear engineering. Then it was introduced to other fields as an almost nondestructive method to measure the local mechanical properties that are difficult to be obtained using conventional mechanical tests. Most studies to date are focused on metallic materials, although SPT applications are recently spreading to other materials. The small punch test (SPT) employs small-sized specimens (for example, samples measuring 8 mm in diameter and 0.5 mm thick). The specimen is firmly clamped between two circular dies and is bi-axially strained until failure into a circular hole using a hemispherical punch. The 'load-punch displacement' record can be used to estimate the yield strength, the ultimate tensile strength, the tensile elongation, and the temperature of the ductile-to-brittle transition. Recently, some researchers are working on the use of miniature notched or pre-cracked specimens (denoted as p-SPT) to validate its geometry and dimensions for obtaining the fracture properties of metallic materials. In a first approach, the technique makes it possible to convert primary experimental data into conventional mechanical properties of a massive specimen. In this paper a comprehensive review of the different STP applications is presented with the aim of clarifying its usefulness. (author)

  18. Small specimen technique for assessing mechanical properties of metallic components

    International Nuclear Information System (INIS)

    Lobo, Raquel M.; Andrade, Arnaldo H.P.; Morcelli, Aparecido E.

    2017-01-01

    Small Punch Test (SPT) is one of the most promising techniques of small specimen test, which was originally applied in testing of irradiated materials in nuclear engineering. Then it was introduced to other fields as an almost nondestructive method to measure the local mechanical properties that are difficult to be obtained using conventional mechanical tests. Most studies to date are focused on metallic materials, although SPT applications are recently spreading to other materials. The small punch test (SPT) employs small-sized specimens (for example, samples measuring 8 mm in diameter and 0.5 mm thick). The specimen is firmly clamped between two circular dies and is bi-axially strained until failure into a circular hole using a hemispherical punch. The 'load-punch displacement' record can be used to estimate the yield strength, the ultimate tensile strength, the tensile elongation, and the temperature of the ductile-to-brittle transition. Recently, some researchers are working on the use of miniature notched or pre-cracked specimens (denoted as p-SPT) to validate its geometry and dimensions for obtaining the fracture properties of metallic materials. In a first approach, the technique makes it possible to convert primary experimental data into conventional mechanical properties of a massive specimen. In this paper a comprehensive review of the different STP applications is presented with the aim of clarifying its usefulness. (author)

  19. Consistent Practices for Characterizing the Detection Limits of Fracture Critical Metallic Component Inspection Systems

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA-STD-5009 requires that successful flaw detection by NDE methods be statistically qualified for use on fracture critical metallic components using Probability of...

  20. Proceedings of the international conference on irradiation behaviour of metallic materials for fast reactor core components

    International Nuclear Information System (INIS)

    Poirier, J.; Dupouy, J.M.

    Radiation effects on metals or alloys used in fast reactor core components are examined in the papers presented at this conference, the accent being put on swelling and irradiation creep of steels and nickel alloys

  1. Investigation of the metal binding site in methionine aminopeptidase by density functional theory

    DEFF Research Database (Denmark)

    Jørgensen, Anne Techau; Norrby, Per-Ola; Liljefors, Tommy

    2002-01-01

    All methionine aminopeptidases exhibit the same conserved metal binding site. The structure of this site with either Co2+ ions or Zn2+ ions was investigated using density functional theory. The calculations showed that the structure of the site was not influenced by the identity of the metal ions....... This was the case for both of the systems studied; one based on the X-ray structure of the human methionine aminopeptidase type 2 (hMetAP-2) and the other based on the X-ray structure of the E. coli methionine aminopeptidase type 1 (eMetAP-1). Another important structural issue is the identity of the bridging...

  2. Substituent Effects on the Coordination Chemistry of Metal-Binding Pharmacophores

    Energy Technology Data Exchange (ETDEWEB)

    Craig, Whitney R. [Department; Baker, Tessa W. [Department; Marts, Amy R. [Department; DeGenova, Daniel T. [Department; Martin, David P. [Department; Reed, Garrett C. [Department; McCarrick, Robert M. [Department; Crowder, Michael W. [Department; Cohen, Seth M. [Department; Tierney, David L. [Department

    2017-09-12

    A combination of XAS, UV–vis, NMR, and EPR was used to examine the binding of a series of α-hydroxythiones to CoCA. All three appear to bind preferentially in their neutral, protonated forms. Two of the three clearly bind in a monodentate fashion, through the thione sulfur alone. Thiomaltol (TM) appears to show some orientational preference, on the basis of the NMR, while it appears that thiopyromeconic acid (TPMA) retains rotational freedom. In contrast, allothiomaltol (ATM), after initially binding in its neutral form, presumably through the thione sulfur, forms a final complex that is five-coordinate via bidentate coordination of ATM. On the basis of optical titrations, we speculate that this may be due to the lower initial pKa of ATM (8.3) relative to those of TM (9.0) and TPMA (9.5). Binding through the thione is shown to reduce the hydroxyl pKa by ~0.7 pH unit on metal binding, bringing only ATM’s pKa close to the pH of the experiment, facilitating deprotonation and subsequent coordination of the hydroxyl. The data predict the presence of a solvent-exchangeable proton on TM and TPMA, and Q-band 2-pulse ESEEM experiments on CoCA + TM suggest that the proton is present. ESE-detected EPR also showed a surprising frequency dependence, giving only a subset of the expected resonances at X-band.

  3. Molybdenum-A Key Component of Metal Alloys

    Science.gov (United States)

    Kropschot, S.J.

    2010-01-01

    Molybdenum, whose chemical symbol is Mo, was first recognized as an element in 1778. Until that time, the mineral molybdenite-the most important source of molybdenum-was believed to be a lead mineral because of its metallic gray color, greasy feel, and softness. In the late 19th century, French metallurgists discovered that molybdenum, when alloyed (mixed) with steel in small quantities, creates a substance that is remarkably tougher than steel alone and is highly resistant to heat. The alloy was found to be ideal for making tools and armor plate. Today, the most common use of molybdenum is as an alloying agent in stainless steel, alloy steels, and superalloys to enhance hardness, strength, and resistance to corrosion.

  4. Characterization of binding and mobility of metals and xenobiotics in continuous flow and soil biosystems

    International Nuclear Information System (INIS)

    Sunovska, A.

    2016-01-01

    The main aim of the dissertation thesis was to contribute to development of analytical tools and approaches application in characterization of binding and mobility of heavy metals and organic compounds (xenobiotics) in continuous flow and soil biosystems. Within the solution of this aim, a wide range of analytical methods (gamma-spectrometry, UV-VIS spectrophotometry, AAS, X-ray fluorescence spectrometry, ion chromatography, and stripping volt-amperometry) and approaches (mathematical modelling - methods of nonlinear regression and in silico prediction modelling; chemometrics and statistical analysis of the data; single-step extraction methods, and lysimetry) were applied. In the first step of thesis solution, alternative sorbents of biological origin (biomass of microalgae, freshwater mosses, and waste biomass of hop) were obtained and physico-chemically characterized mainly in order to prediction of sorption capacities of Cd and synthetic dyes thioflavine T (TT), malachite green (MG) or methylene blue (MB) removal from single component or binary aqueous solutions and under conditions of batch or continuous flow systems. For these purposes, mathematical models of adsorption isotherms and models originated from chromatographic separation methods by application of methods of nonlinear regression analysis were used. In the second part of the work, methods of multivariate analysis in the evaluation of processes of synthetic dyes TT and MB binding in terms of the finding of relationships between sorption-desorption variables describing the stability of the bond and parameters defining the physic-chemical properties of river sediments and the environment of real or model waters were applied. In the last part of the work, a special laboratory lysimeter system was designed and applied within the soil biosystem defined by: soil additive (SA) derived from sewage sludge representing the source of microelements Zn and Cu <-> agriculturally used soil <-> soil solution <-> root

  5. Characterization of binding and mobility of metals and xenobiotics in continuous flow and soil biosystems

    International Nuclear Information System (INIS)

    Sunovska, A.

    2016-01-01

    The main aim of the dissertation thesis was to contribute to development of analytical tools and approaches application in characterization of binding and mobility of heavy metals and organic compounds (xenobiotics) in continuous flow and soil biosystems. Within the solution of this aim, a wide range of analytical methods (gamma-spectrometry, UV-VIS spectrophotometry, AAS, X-ray fluorescence spectrometry, ion chromatography, and stripping volt-amperometry) and approaches (mathematical modelling - methods of nonlinear regression and in silico prediction modelling; chemometrics and statistical analysis of the data; single-step extraction methods, and lysimetry) were applied. In the first step of thesis solution, alternative sorbents of biological origin (biomass of microalgae, freshwater mosses, and waste biomass of hop) were obtained and physico-chemically characterized mainly in order to prediction of sorption capacities of Cd and synthetic dyes thioflavine T (TT), malachite green (MG) or methylene blue (MB) removal from single component or binary aqueous solutions and under conditions of batch or continuous flow systems. For these purposes, mathematical models of adsorption isotherms and models originated from chromatographic separation methods by application of methods of nonlinear regression analysis were used. In the second part of the work, methods of multivariate analysis in the evaluation of processes of synthetic dyes TT and MB binding in terms of the finding of relationships between sorption-desorption variables describing the stability of the bond and parameters defining the physic-chemical properties of river sediments and the environment of real or model waters were applied. In the last part of the work, a special laboratory lysimeter system was designed and applied within the soil biosystem defined by: soil additive (SA) derived from sewage sludge representing the source of microelements Zn and Cu agriculturally used soil soil solution root system of

  6. Speciation dynamics of metals in dispersion of nanoparticles with discrete distribution of charged binding sites.

    Science.gov (United States)

    Polyakov, Pavel D; Duval, Jérôme F L

    2014-02-07

    We report a comprehensive theory to evaluate the kinetics of complex formation between metal ions and charged spherical nanoparticles. The latter consist of an ion-impermeable core surrounded by a soft shell layer characterized by a discrete axisymmetric 2D distribution of charged sites that bind metal ions. The theory explicitly integrates the conductive diffusion of metal ions from bulk solution toward the respective locations of the reactive sites within the particle shell volume. The kinetic constant k for outer-sphere nanoparticle-metal association is obtained from the sum of the contributions stemming from all reactive sites, each evaluated from the corresponding incoming flux of metal ions derived from steady-state Poisson-Nernst-Planck equations. Illustrations are provided to capture the basic intertwined impacts of particle size, overall particle charge, spatial heterogeneity in site distribution, type of particle (hard, core-shell or porous) and concentration of the background electrolyte on k. As a limit, k converges with predictions from previously reported analytical expressions derived for porous particles with low and high charge density, cases that correspond to coulombic and mean-field (smeared-out) electrostatic treatments, respectively. The conditions underlying the applicability of these latter approaches are rigorously identified in terms of (i) the extent of overlap between electric double layers around charged neighbouring sites, and (ii) the magnitude of the intraparticulate metal concentration gradient. For the first time, the proposed theory integrates the differentiated impact of the local potential around the charged binding sites amidst the overall particle field, together with that of the so-far discarded intraparticulate flux of metal ions.

  7. Simultaneous Binding of Hybrid Molecules Constructed with Dual DNA-Binding Components to a G-Quadruplex and Its Proximal Duplex.

    Science.gov (United States)

    Asamitsu, Sefan; Obata, Shunsuke; Phan, Anh Tuân; Hashiya, Kaori; Bando, Toshikazu; Sugiyama, Hiroshi

    2018-03-20

    A G-quadruplex (quadruplex) is a nucleic acid secondary structure adopted by guanine-rich sequences and is considered to be relevant to various pharmacological and biological contexts. Although a number of researchers have endeavored to discover and develop quadruplex-interactive molecules, poor ligand designability originating from topological similarity of the skeleton of diverse quadruplexes has remained a bottleneck for gaining specificity for individual quadruplexes. This work reports on hybrid molecules that were constructed with dual DNA-binding components, a cyclic imidazole/lysine polyamide (cIKP), and a hairpin pyrrole/imidazole polyamide (hPIP), with the aim toward specific quadruplex targeting by reading out the local duplex DNA sequence adjacent to designated quadruplexes in the genome. By means of circular dichroism (CD), fluorescence resonance energy transfer (FRET), surface plasmon resonance (SPR), and NMR techniques, we showed the dual and simultaneous recognition of the respective segment via hybrid molecules, and the synergistic and mutual effect of each binding component that was appropriately linked on higher binding affinity and modest sequence specificity. Monitoring quadruplex and duplex imino protons of the quadruplex/duplex motif titrated with hybrid molecules clearly revealed distinct features of the binding of hybrid molecules to the respective segments upon their simultaneous recognition. A series of the systematic and detailed binding assays described here showed that the concept of simultaneous recognition of quadruplex and its proximal duplex by hybrid molecules constructed with the dual DNA-binding components may provide a new strategy for ligand design, enabling targeting of a large variety of designated quadruplexes at specific genome locations. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. A Mononuclear Non-Heme Manganese(IV)-Oxo Complex Binding Redox-Inactive Metal Ions

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Junying; Lee, Yong-Min; Davis, Katherine M.; Wu, Xiujuan; Seo, Mi Sook; Cho, Kyung-Bin; Yoon, Heejung; Park, Young Jun; Fukuzumi, Shunichi; Pushkar, Yulia N.; Nam, Wonwoo [Ewha; (Purdue); (Osaka)

    2013-05-29

    Redox-inactive metal ions play pivotal roles in regulating the reactivities of high-valent metal–oxo species in a variety of enzymatic and chemical reactions. A mononuclear non-heme Mn(IV)–oxo complex bearing a pentadentate N5 ligand has been synthesized and used in the synthesis of a Mn(IV)–oxo complex binding scandium ions. The Mn(IV)–oxo complexes were characterized with various spectroscopic methods. The reactivities of the Mn(IV)–oxo complex are markedly influenced by binding of Sc3+ ions in oxidation reactions, such as a ~2200-fold increase in the rate of oxidation of thioanisole (i.e., oxygen atom transfer) but a ~180-fold decrease in the rate of C–H bond activation of 1,4-cyclohexadiene (i.e., hydrogen atom transfer). The present results provide the first example of a non-heme Mn(IV)–oxo complex binding redox-inactive metal ions that shows a contrasting effect of the redox-inactive metal ions on the reactivities of metal–oxo species in the oxygen atom transfer and hydrogen atom transfer reactions.

  9. Synthesis, structure, DNA/BSA binding and antibacterial studies of NNO tridentate Schiff base metal complexes

    Science.gov (United States)

    Sakthi, Marimuthu; Ramu, Andy

    2017-12-01

    A new salicylaldehyde derived 2,4-diiodo-6-((2-phenylaminoethylimino)methyl)phenol Schiff base(L) and its transition metal complexes of the type MLCl where, M = Cu(II), Ni(II), Co(II), Mn(II) and Zn(II) have been synthesized. The coordination mode of Schiff base holding NNO donor atoms with metal ions was well investigated by elemental analysis, ESI-mass as well as IR, UV-vis, CV and NMR spectral studies. The binding efficiency and mode of these complexes with biological macromolecules viz., herring sperm DNA (HS- DNA) and bovine serum albumin (BSA) have been explored through various spectroscopic techniques. The characteristic changes in absorption, emission and, circular dichroism spectra of the complexes with DNA indicate the noticeable interaction between them. From the all spectral information complexes could interact with DNA via non-intercalation mode of binding. The hyperchromisim in absorption band and hypochromisim in emission intensity of BSA with different complex concentrations shown significant information, and the binding affinity value has been predicted from Stern-Volmer plots. Further, all the complexes could cleave the circular plasmid pUC19 DNA efficiently by using an activator H2O2. The ligand and all metal(II) complexes showed good antibacterial activities. The molecular docking studies of the complexes with DNA were performed in order to make a comparison and conclusion with spectral technic results.

  10. Comparative study of material loss at the taper interface in retrieved metal-on-polyethylene and metal-on-metal femoral components from a single manufacturer.

    Science.gov (United States)

    Bills, Paul; Racasan, Radu; Bhattacharya, Saugatta; Blunt, Liam; Isaac, Graham

    2017-08-01

    There have been a number of reports on the occurrence of taper corrosion and/or fretting and some have speculated on a link to the occurrence of adverse local tissue reaction specifically in relation to total hip replacement which have a metal-on-metal bearing. As such a study was carried out to compare the magnitude of material loss at the taper in a series of retrieved femoral heads used in metal-on-polyethylene bearings with that in a series of retrieved heads used in metal-on-metal bearings. A total of 36 metal-on-polyethylene and 21 metal-on-metal femoral components were included in the study all of which were received from a customer complaint database. Furthermore, a total of nine as-manufactured femoral components were included to provide a baseline for characterisation. All taper surfaces were assessed using an established corrosion scoring method and measurements were taken of the female taper surface using a contact profilometry. In the case of metal-on-metal components, the bearing wear was also assessed using coordinate metrology to determine whether or not there was a relationship between bearing and taper material loss in these cases. The study found that in this cohort the median value of metal-on-polyethylene taper loss was 1.25 mm 3 with the consequent median value for metal-on-metal taper loss being 1.75 mm 3 . This study also suggests that manufacturing form can result in an apparent loss of material from the taper surface determined to have a median value of 0.59 mm 3 . Therefore, it is clear that form variability is a significant confounding factor in the measurement of material loss from the tapers of femoral heads retrieved following revision surgery.

  11. Principal component analysis for predicting transcription-factor binding motifs from array-derived data

    Directory of Open Access Journals (Sweden)

    Vincenti Matthew P

    2005-11-01

    Full Text Available Abstract Background The responses to interleukin 1 (IL-1 in human chondrocytes constitute a complex regulatory mechanism, where multiple transcription factors interact combinatorially to transcription-factor binding motifs (TFBMs. In order to select a critical set of TFBMs from genomic DNA information and an array-derived data, an efficient algorithm to solve a combinatorial optimization problem is required. Although computational approaches based on evolutionary algorithms are commonly employed, an analytical algorithm would be useful to predict TFBMs at nearly no computational cost and evaluate varying modelling conditions. Singular value decomposition (SVD is a powerful method to derive primary components of a given matrix. Applying SVD to a promoter matrix defined from regulatory DNA sequences, we derived a novel method to predict the critical set of TFBMs. Results The promoter matrix was defined to establish a quantitative relationship between the IL-1-driven mRNA alteration and genomic DNA sequences of the IL-1 responsive genes. The matrix was decomposed with SVD, and the effects of 8 potential TFBMs (5'-CAGGC-3', 5'-CGCCC-3', 5'-CCGCC-3', 5'-ATGGG-3', 5'-GGGAA-3', 5'-CGTCC-3', 5'-AAAGG-3', and 5'-ACCCA-3' were predicted from a pool of 512 random DNA sequences. The prediction included matches to the core binding motifs of biologically known TFBMs such as AP2, SP1, EGR1, KROX, GC-BOX, ABI4, ETF, E2F, SRF, STAT, IK-1, PPARγ, STAF, ROAZ, and NFκB, and their significance was evaluated numerically using Monte Carlo simulation and genetic algorithm. Conclusion The described SVD-based prediction is an analytical method to provide a set of potential TFBMs involved in transcriptional regulation. The results would be useful to evaluate analytically a contribution of individual DNA sequences.

  12. Forging of metallic nano-objects for the fabrication of submicron-size components

    International Nuclear Information System (INIS)

    Roesler, J; Mukherji, D; Schock, K; Kleindiek, S

    2007-01-01

    In recent years, nanoscale fabrication has developed considerably, but the fabrication of free-standing nanosize components is still a great challenge. The fabrication of metallic nanocomponents utilizing three basic steps is demonstrated here. First, metallic alloys are used as factories to produce a metallic raw stock of nano-objects/nanoparticles in large numbers. These objects are then isolated from the powder containing thousands of such objects inside a scanning electron microscope using manipulators, and placed on a micro-anvil or a die. Finally, the shape of the individual nano-object is changed by nanoforging using a microhammer. In this way free-standing, high-strength, metallic nano-objects may be shaped into components with dimensions in the 100 nm range. By assembling such nanocomponents, high-performance microsystems can be fabricated, which are truly in the micrometre scale (the size ratio of a system to its component is typically 10:1)

  13. Component and Technology Development for Advanced Liquid Metal Reactors

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Mark [Univ. of Wisconsin, Madison, WI (United States)

    2017-01-30

    The following report details the significant developments to Sodium Fast Reactor (SFR) technologies made throughout the course of this funding. This report will begin with an overview of the sodium loop and the improvements made over the course of this research to make it a more advanced and capable facility. These improvements have much to do with oxygen control and diagnostics. Thus a detailed report of advancements with respect to the cold trap, plugging meter, vanadium equilibration loop, and electrochemical oxygen sensor is included. Further analysis of the university’s moving magnet pump was performed and included in a section of this report. A continuous electrical resistance based level sensor was built and tested in the sodium with favorable results. Materials testing was done on diffusion bonded samples of metal and the results are presented here as well. A significant portion of this work went into the development of optical fiber temperature sensors which could be deployed in an SFR environment. Thus, a section of this report presents the work done to develop an encapsulation method for these fibers inside of a stainless steel capillary tube. High temperature testing was then done on the optical fiber ex situ in a furnace. Thermal response time was also explored with the optical fiber temperature sensors. Finally these optical fibers were deployed successfully in a sodium environment for data acquisition. As a test of the sodium deployable optical fiber temperature sensors they were installed in a sub-loop of the sodium facility which was constructed to promote the thermal striping effect in sodium. The optical fibers performed exceptionally well, yielding unprecedented 2 dimensional temperature profiles with good temporal resolution. Finally, this thermal striping loop was used to perform cross correlation velocimetry successfully over a wide range of flow rates.

  14. DISTRIBUTION OF HEAVY METALS AMONG THE COMPONENTS OF FRESHWATER ECOSYSTEMS (REVIEW

    Directory of Open Access Journals (Sweden)

    N. Kolesnyk

    2014-09-01

    Full Text Available Purpose. To review scientific sources on the distribution of heavy metals among the components of freshwater ecosystems. Findings. The review of the works of many scientists showed that heavy metals are widespread in the biotic and abiotic components of freshwater ecosystems. The article highlights the distribution of heavy metals in water, bottom sediments, natural food base, fish organs and tissues. It has been shown that as a result of global pollution of the ecosystem, the majority of Ukrainian rivers belong to polluted and very polluted. Of special interest are the studies of the distribution of heavy metals in phytoplankton, zooplankton, and zoobenthos because these components occupy a certain position in fish food chain. The presence of heavy metals in the natural food base showed that, on one hand, it could accumulate heavy metals in large amounts in such a way cleaning the water; and on the other hand, the heavy metals could migrate in the food web and contaminate fish. Ones of objects, which should be given attention when assessing toxicologic pollution, are aquatic plants, in particular phytoplankton. Studies showed that the accumulation of heavy metals in plants occurred first of all by their adsorption on the cellular wall. It explains the maximum adsorption of heavy metals by plants immediately after introduction of heavy metals into their culture. Fish as a rule occupy in the food web of water bodies one of the last places. They actively move in the aquatic environment and accumulating heavy metals at the same time they provide the most integrated and precise estimate of environmental pollution. By analyzing the distribution of heavy metals in fish organs and tissues, depending on their ability to accumulate them, it can be noted that the accumulation is the most intensive in such organs as gills, liver, and kidneys. Usually, their lowest content is observed in muscles that is important for human life because they are the main

  15. RNA Binding Proteins in Eye Development and Disease: Implication of Conserved RNA Granule Components

    Science.gov (United States)

    Dash, Soma; Siddam, Archana D.; Barnum, Carrie E.; Janga, Sarath Chandra

    2016-01-01

    The molecular biology of metazoan eye development is an area of intense investigation. These efforts have led to the surprising recognition that although insect and vertebrate eyes have dramatically different structures, the orthologs or family members of several conserved transcription and signaling regulators such as Pax6, Six3, Prox1 and Bmp4 are commonly required for their development. In contrast, our understanding of post-transcriptional regulation in eye development and disease, particularly regarding the function of RNA binding proteins (RBPs), is limited. We examine the present knowledge of RBPs in eye development in the insect model Drosophila, as well as several vertebrate models such as fish, frog, chicken and mouse. Interestingly, of the 42 RBPs that have been investigated with for their expression or function in vertebrate eye development, 24 (~60%) are recognized in eukaryotic cells as components of RNA granules such as Processing bodies (P-bodies), Stress granules, or other specialized ribonucleoprotein (RNP) complexes. We discuss the distinct developmental and cellular events that may necessitate potential RBP/RNA granule-associated RNA regulon models to facilitate post-transcriptional control of gene expression in eye morphogenesis. In support of these hypotheses, three RBPs and RNP/RNA granule components Tdrd7, Caprin2 and Stau2 are linked to ocular developmental defects such as congenital cataract, Peters anomaly and microphthalmia in human patients or animal models. We conclude by discussing the utility of interdisciplinary approaches such as the bioinformatics tool iSyTE (integrated Systems Tool for Eye gene discovery) to prioritize RBPs for deriving post-transcriptional regulatory networks in eye development and disease. PMID:27133484

  16. Selective metal binding to Cys-78 within endonuclease V causes an inhibition of catalytic activities without altering nontarget and target DNA binding

    International Nuclear Information System (INIS)

    Prince, M.A.; Friedman, B.; Gruskin, E.A.; Schrock, R.D. III; Lloyd, R.S.

    1991-01-01

    T4 endonuclease V is a pyrimidine dimer-specific DNA repair enzyme which has been previously shown not to require metal ions for either of its two catalytic activities or its DNA binding function. However, we have investigated whether the single cysteine within the enzyme was able to bind metal salts and influence the various activities of this repair enzyme. A series of metals (Hg2+, Ag+, Cu+) were shown to inactivate both endonuclease Vs pyrimidine dimer-specific DNA glycosylase activity and the subsequent apurinic nicking activity. The binding of metal to endonuclease V did not interfere with nontarget DNA scanning or pyrimidine dimer-specific binding. The Cys-78 codon within the endonuclease V gene was changed by oligonucleotide site-directed mutagenesis to Thr-78 and Ser-78 in order to determine whether the native cysteine was directly involved in the enzyme's DNA catalytic activities and whether the cysteine was primarily responsible for the metal binding. The mutant enzymes were able to confer enhanced ultraviolet light (UV) resistance to DNA repair-deficient Escherichia coli at levels equal to that conferred by the wild type enzyme. The C78T mutant enzyme was purified to homogeneity and shown to be catalytically active on pyrimidine dimer-containing DNA. The catalytic activities of the C78T mutant enzyme were demonstrated to be unaffected by the addition of Hg2+ or Ag+ at concentrations 1000-fold greater than that required to inhibit the wild type enzyme. These data suggest that the cysteine is not required for enzyme activity but that the binding of certain metals to that amino acid block DNA incision by either preventing a conformational change in the enzyme after it has bound to a pyrimidine dimer or sterically interfering with the active site residue's accessibility to the pyrimidine dimer

  17. Apoprotein Structure and Metal Binding Characterization of a de Novo Designed Peptide, α3DIV, that Sequesters Toxic Heavy Metals.

    Science.gov (United States)

    Plegaria, Jefferson S; Dzul, Stephen P; Zuiderweg, Erik R P; Stemmler, Timothy L; Pecoraro, Vincent L

    2015-05-12

    De novo protein design is a biologically relevant approach that provides a novel process in elucidating protein folding and modeling the metal centers of metalloproteins in a completely unrelated or simplified fold. An integral step in de novo protein design is the establishment of a well-folded scaffold with one conformation, which is a fundamental characteristic of many native proteins. Here, we report the NMR solution structure of apo α3DIV at pH 7.0, a de novo designed three-helix bundle peptide containing a triscysteine motif (Cys18, Cys28, and Cys67) that binds toxic heavy metals. The structure comprises 1067 NOE restraints derived from multinuclear multidimensional NOESY, as well as 138 dihedral angles (ψ, φ, and χ1). The backbone and heavy atoms of the 20 lowest energy structures have a root mean square deviation from the mean structure of 0.79 (0.16) Å and 1.31 (0.15) Å, respectively. When compared to the parent structure α3D, the substitution of Leu residues to Cys enhanced the α-helical content of α3DIV while maintaining the same overall topology and fold. In addition, solution studies on the metalated species illustrated metal-induced stability. An increase in the melting temperatures was observed for Hg(II), Pb(II), or Cd(II) bound α3DIV by 18-24 °C compared to its apo counterpart. Further, the extended X-ray absorption fine structure analysis on Hg(II)-α3DIV produced an average Hg(II)-S bond length at 2.36 Å, indicating a trigonal T-shaped coordination environment. Overall, the structure of apo α3DIV reveals an asymmetric distorted triscysteine metal binding site, which offers a model for native metalloregulatory proteins with thiol-rich ligands that function in regulating toxic heavy metals, such as ArsR, CadC, MerR, and PbrR.

  18. Exploring liquid metal plasma facing component (PFC) concepts-Liquid metal film flow behavior under fusion relevant magnetic fields

    International Nuclear Information System (INIS)

    Narula, M.; Abdou, M.A.; Ying, A.; Morley, N.B.; Ni, M.; Miraghaie, R.; Burris, J.

    2006-01-01

    The use of fast moving liquid metal streams or 'liquid walls' as a plasma contact surface is a very attractive option and has been looked upon with considerable interest over the past several years, both by the plasma physics and fusion engineering programs. Flowing liquid walls provide an ever replenishing contact surface to the plasma, leading to very effective particle pumping and surface heat flux removal. A key feasibility issue for flowing liquid metal plasma facing component (PFC) systems, pertains to their magnetohydrodynamic (MHD) behavior under the spatially varying magnetic field environment, typical of a fusion device. MHD forces hinder the development of a smooth and controllable liquid metal flow needed for PFC applications. The present study builds up on the ongoing research effort at UCLA, directed towards providing qualitative and quantitative data on liquid metal free surface flow behavior under fusion relevant magnetic fields

  19. Metal binding by humic acids isolated from water hyacinth plants (Eichhornia crassipes [Mart.] Solm-Laubach: Pontedericeae) in the Nile Delta, Egypt

    International Nuclear Information System (INIS)

    Ghabbour, Elham A.; Davies, Geoffrey; Lam, Y.-Y.; Vozzella, Marcy E.

    2004-01-01

    Humic acids (HAs) are animal and plant decay products that confer water retention, metal and organic solute binding functions and texture/workability in soils. HAs assist plant nutrition with minimal run-off pollution. Recent isolation of HAs from several live plants prompted us to investigate the HA content of the water hyacinth (Eichhornia crassipes [Mart.] Solm-Laubach: Pontedericeae), a delicately flowered plant from Amazonian South America that has invaded temperate lakes, rivers and waterways with devastating economic effects. Hyacinth thrives in nutrient-rich and polluted waters. It has a high affinity for metals and is used for phytoremediation. In this work, HAs isolated from the leaves, stems and roots of live water hyacinth plants from the Nile Delta, Egypt were identified by chemical and spectral analysis and by comparison with authentic soil and plant derived HAs. Similar carbohydrate and amino acid distributions and tight metal binding capacities of the HAs and their respective plant components suggest that the presence of HAs in plants is related to their metal binding properties

  20. Earthworm Lumbricus rubellus MT-2: Metal Binding and Protein Folding of a True Cadmium-MT

    Directory of Open Access Journals (Sweden)

    Gregory R. Kowald

    2016-01-01

    Full Text Available Earthworms express, as most animals, metallothioneins (MTs—small, cysteine-rich proteins that bind d10 metal ions (Zn(II, Cd(II, or Cu(I in clusters. Three MT homologues are known for Lumbricus rubellus, the common red earthworm, one of which, wMT-2, is strongly induced by exposure of worms to cadmium. This study concerns composition, metal binding affinity and metal-dependent protein folding of wMT-2 expressed recombinantly and purified in the presence of Cd(II and Zn(II. Crucially, whilst a single Cd7wMT-2 species was isolated from wMT-2-expressing E. coli cultures supplemented with Cd(II, expressions in the presence of Zn(II yielded mixtures. The average affinities of wMT-2 determined for either Cd(II or Zn(II are both within normal ranges for MTs; hence, differential behaviour cannot be explained on the basis of overall affinity. Therefore, the protein folding properties of Cd- and Zn-wMT-2 were compared by 1H NMR spectroscopy. This comparison revealed that the protein fold is better defined in the presence of cadmium than in the presence of zinc. These differences in folding and dynamics may be at the root of the differential behaviour of the cadmium- and zinc-bound protein in vitro, and may ultimately also help in distinguishing zinc and cadmium in the earthworm in vivo.

  1. Many-body dispersion effects in the binding of adsorbates on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Maurer, Reinhard J. [Department of Chemistry, Yale University, New Haven, Connecticut 06520 (United States); Ruiz, Victor G.; Tkatchenko, Alexandre [Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin (Germany)

    2015-09-14

    A correct description of electronic exchange and correlation effects for molecules in contact with extended (metal) surfaces is a challenging task for first-principles modeling. In this work, we demonstrate the importance of collective van der Waals dispersion effects beyond the pairwise approximation for organic–inorganic systems on the example of atoms, molecules, and nanostructures adsorbed on metals. We use the recently developed many-body dispersion (MBD) approach in the context of density-functional theory [Tkatchenko et al., Phys. Rev. Lett. 108, 236402 (2012) and Ambrosetti et al., J. Chem. Phys. 140, 18A508 (2014)] and assess its ability to correctly describe the binding of adsorbates on metal surfaces. We briefly review the MBD method and highlight its similarities to quantum-chemical approaches to electron correlation in a quasiparticle picture. In particular, we study the binding properties of xenon, 3,4,9,10-perylene-tetracarboxylic acid, and a graphene sheet adsorbed on the Ag(111) surface. Accounting for MBD effects, we are able to describe changes in the anisotropic polarizability tensor, improve the description of adsorbate vibrations, and correctly capture the adsorbate–surface interaction screening. Comparison to other methods and experiment reveals that inclusion of MBD effects improves adsorption energies and geometries, by reducing the overbinding typically found in pairwise additive dispersion-correction approaches.

  2. A Transition Metal-Binding, Trimeric βγ-Crystallin from Methane-Producing Thermophilic Archaea, Methanosaeta thermophila.

    Science.gov (United States)

    Srivastava, Shanti Swaroop; Jamkhindikar, Aditya Anand; Raman, Rajeev; Jobby, Maroor K; Chadalawada, Swathi; Sankaranarayanan, Rajan; Sharma, Yogendra

    2017-03-07

    βγ-Crystallins are important constituents of the vertebrate eye lens, whereas in microbes, they are prevalent as Ca 2+ -binding proteins. In archaea, βγ-crystallins are conspicuously confined to two methanogens, viz., Methanosaeta and Methanosarcina. One of these, i.e., M-crystallin from Methanosarcina acetivorans, has been shown to be a typical Ca 2+ -binding βγ-crystallin. Here, with the aid of a high-resolution crystal structure and isothermal titration calorimetry, we report that "Methallin", a βγ-crystallin from Methanosaeta thermophila, is a trimeric, transition metal-binding protein. It binds Fe, Ni, Co, or Zn ion with nanomolar affinity, which is consistent even at 55 °C, the optimal temperature for the methanogen's growth. At the center of the protein trimer, the metal ion is coordinated by six histidines, two from each protomer, leading to an octahedral geometry. Small-angle X-ray scattering analysis confirms that the trimer seen in the crystal lattice is a biological assembly; this assembly dissociates to monomers upon removal of the metal ion. The introduction of two histidines (S17H/S19H) into a homologous βγ-crystallin, Clostrillin, allows it to bind nickel at the introduced site, though with micromolar affinity. However, because of the lack of a compatible interface, nickel binding could not induce trimerization, affirming that Methallin is a naturally occurring trimer for high-affinity transition metal binding. While βγ-crystallins are known to bind Ca 2+ and form homodimers and oligomers, the transition metal-binding, trimeric Methallin is a new paradigm for βγ-crystallins. The distinct features of Methallin, such as nickel or iron binding, are also possible imprints of biogeochemical changes during the period of its origin.

  3. Assessment and management of ageing of major nuclear power plant components important to safety: Metal components of BWR containment systems

    International Nuclear Information System (INIS)

    2000-10-01

    plant components addressed in the reports. This report addresses the metal components of BWR containment systems. The primary ageing mechanisms that may potentially impact the structural capacity, leaktight integrity, or service life of BWR containments are corrosion of metal components and stress corrosion cracking of bellows. Other potential degradation mechanisms include fatigue and mechanical wear. Areas of concern are where surfaces are inaccessible for inspection (e.g areas adjacent to floors, where the containment vessel is embedded in concrete, and locations adjacent to equipment or other structures)

  4. Analysis of the tight-binding description of the structure of metallic 2D systems

    International Nuclear Information System (INIS)

    Baquero, R.

    1990-12-01

    Bidimensional metallic systems as interfaces, quantum wells and superlattices with sharp interfaces became recently available and their properties can now be experimentally studied in detail. To calculate the Local Density of States (LDOS) for surfaces, interfaces, quantum wells and superlattices we use empirical tight-binding Hamiltonians together with the Green function matching method (GFM). In this paper we show some examples of our results employing the method just outlined to describe metallic 2D systems. In particular, we refer briefly to the effect on the LDOS of the very recently established contraction of the first interatomic layer distance in the Ta(001) surface. We then discuss the Nb-V ideal (100) interface and conclude that under certain conditions the V-side of an interface can show magnetism as the V(001) surface does. As a last example, we present a calculation that relates the changes with gold coverage of the reaction rate of the catalytic reaction of cyclohexene into benzene on a Pt(001) surface to the changes on the LDOS of the outermost Pt atomic layer. We show that the behavior of the LDOS around the Fermi level is an important factor to the explanation of the behavior of this catalytic reaction. We conclude by stating that the empirical tight-binding method is a very simple and useful tool for the description of 2D metallic systems. The advantage is that the computational demands are low and all the ingredients to take full profit of this method are available (reliable tight-binding parameters and suitable methods for the calculation of the Green function). (author). 14 refs, 3 figs

  5. Evolutionary Implications of Metal Binding Features in Different Species’ Prion Protein: An Inorganic Point of View

    Directory of Open Access Journals (Sweden)

    Diego La Mendola

    2014-05-01

    Full Text Available Prion disorders are a group of fatal neurodegenerative conditions of mammals. The key molecular event in the pathogenesis of such diseases is the conformational conversion of prion protein, PrPC, into a misfolded form rich in β-sheet structure, PrPSc, but the detailed mechanistic aspects of prion protein conversion remain enigmatic. There is uncertainty on the precise physiological function of PrPC in healthy individuals. Several evidences support the notion of its role in copper homeostasis. PrPC binds Cu2+ mainly through a domain composed by four to five repeats of eight amino acids. In addition to mammals, PrP homologues have also been identified in birds, reptiles, amphibians and fish. The globular domain of protein is retained in the different species, suggesting that the protein carries out an essential common function. However, the comparison of amino acid sequences indicates that prion protein has evolved differently in each vertebrate class. The primary sequences are strongly conserved in each group, but these exhibit a low similarity with those of mammals. The N-terminal domain of different prions shows tandem amino acid repeats with an increasing amount of histidine residues going from amphibians to mammals. The difference in the sequence affects the number of copper binding sites, the affinity and the coordination environment of metal ions, suggesting that the involvement of prion in metal homeostasis may be a specific characteristic of mammalian prion protein. In this review, we describe the similarities and the differences in the metal binding of different species’ prion protein, as revealed by studies carried out on the entire protein and related peptide fragments.

  6. Rational design of a conformation-switchable Ca2+- and Tb3+-binding protein without the use of multiple coupled metal-binding sites.

    Science.gov (United States)

    Li, Shunyi; Yang, Wei; Maniccia, Anna W; Barrow, Doyle; Tjong, Harianto; Zhou, Huan-Xiang; Yang, Jenny J

    2008-10-01

    Ca2+, as a messenger of signal transduction, regulates numerous target molecules via Ca2+-induced conformational changes. Investigation into the determinants for Ca2+-induced conformational change is often impeded by cooperativity between multiple metal-binding sites or protein oligomerization in naturally occurring proteins. To dissect the relative contributions of key determinants for Ca2+-dependent conformational changes, we report the design of a single-site Ca2+-binding protein (CD2.trigger) created by altering charged residues at an electrostatically sensitive location on the surface of the host protein rat Cluster of Differentiation 2 (CD2).CD2.trigger binds to Tb3+ and Ca2+ with dissociation constants of 0.3 +/- 0.1 and 90 +/- 25 microM, respectively. This protein is largely unfolded in the absence of metal ions at physiological pH, but Tb3+ or Ca2+ binding results in folding of the native-like conformation. Neutralization of the charged coordination residues, either by mutation or protonation, similarly induces folding of the protein. The control of a major conformational change by a single Ca2+ ion, achieved on a protein designed without reliance on sequence similarity to known Ca2+-dependent proteins and coupled metal-binding sites, represents an important step in the design of trigger proteins.

  7. Cellulose Nanocrystals Obtained from Rice By-Products and Their Binding Potential to Metallic Ions

    Directory of Open Access Journals (Sweden)

    Vanessa L. Albernaz

    2015-01-01

    Full Text Available The present study aimed to develop and optimize a method to obtain cellulose nanocrystals from the agricultural by-products rice husk and straw and to evaluate their electrostructural modifications in the presence of metallic ions. First, different particle formation conditions and routes were tested and analyzed by spectrophotometry, dynamic light scattering (DLS, and Zeta potential measurements. Then, electrostructural effects of ions Na(I, Cd(II, and Al(III on the optimized nanoparticles were analyzed by atomic force microscopy (AFM, scanning electron microscopy (SEM, and electrical conductivity (EC assessments. The produced cellulose nanocrystals adopted a rod-like shape. AFM height distribution and EC data indicated that the nanocrystals have more affinity in binding with Na(I > Al(III > Cd(II. These data suggest that the use of these cellulose nanocrystals in the bioremediation field is promising, both in metal sorption from wastewater and as an alternative for water desalination.

  8. Synthesis of phthalide-fused indoline by microwave irradiation and preliminary binding study with metal cations

    Science.gov (United States)

    Ling, Sheryn Wong Shue; Latip, Jalifah; Hassan, Nurul Izzaty; Hasbullah, Siti Aishah

    2018-04-01

    An efficient and green method of synthesizing phthalide-fused indoline, 3-[(1,3,3-trimethylindolin-2-ylidene)methyl]isobenzofuran-1(3H)-one (3) has been developed by the coupling reaction of 1,3,3-trimethyl-2-methyleneindoline, 1 and phthalaldehydic acid, 2 under solvent-free domestic microwave irradiation. The compound was produced with an excellent yield (98 %) and at a shorter reaction time (5 min) as compared to the conventional method. Compound 3 was fully characterized by analytical and spectral methods. Preliminary binding study of 3 towards different types of metal cations was done by "naked eye" colorimetric detection and UV-vis spectrophotometer. Compound 3 exhibits good selectivity and sensitivity for Sn2+ compared to other metal cations.

  9. Centralized Reliability Data Organization (CREDO) assessment of critical component unavailability in liquid metal reactors

    International Nuclear Information System (INIS)

    Koger, K.H.; Haire, M.J.; Humphrys, B.L.; Manneschmidt, J.F.; Setoguchi, K.; Nakai, R.

    1988-01-01

    The Centralized Reliability Data Organization (CREDO) is the largest repository of liquid metal reactor (LMR) component reliability data in the world. It is jointly sponsored by the US Dept. of Energy (DOE) and the Power Reactor and Nuclear Fuel Development Corporation (PNC) of Japan. The CREDO data base contains information on a population of more than 20,000 components and approximately 1500 event records. A conservative estimation is that the total component operating hours is approaching 2.2 billion hours. The work reported here focuses on the availability information contained in CREDO and the development of availability critical items lists. That is, individual components are ranked in prioritized lists from worst to best performers from an availability standpoint. Availability as used here is an inherent characteristics of the component and is not necessarily related to plant operability. A major observation is that a few components have a much higher unavailability factor than the average. The top fifteen components contribute 93%, 77%, and 87% of the total system unavailability for EBR-II, FFTF, and JOYO respectively. Critical components common to all three sites are mechanical pumps and electromagnetic pumps. Application of resources to these components with the highest unavailability will have the greatest effect on overall availability. All three sites demonstrate that low maintainability (i.e., long repair times), rather than unreliability (i.e., high failure rates), are the main contributors, by about a two-to-one margin, to liquid metal system unavailability

  10. Recovery and recycling of aluminum, copper, and precious metals from dismantled weapon components

    International Nuclear Information System (INIS)

    Gundiler, I.H.; Lutz, J.D.; Wheelis, W.T.

    1994-01-01

    Sandia National Laboratories (SNL) is tasked to support The Department of Energy in the dismantlement and disposal of SNL designed weapon components. These components are sealed in a potting compound, and contain heavy metals, explosive, radioactive, and toxic materials. SNL developed a process to identify and remove the hazardous sub-components utilizing real-time radiography and abrasive water-jet cutting. The components were then crushed, granulated, screened, and separated into an aluminum and a precious-and-base-metals fraction using air-tables. Plastics were further cleaned for disposal as non-hazardous waste. New Mexico Bureau of Mines and Mineral Resources assisted SNL in investigation of size-reduction and separation technologies

  11. Heavy metal and abiotic stress inducible metallothionein isoforms from Prosopis juliflora (SW) D.C. show differences in binding to heavy metals in vitro.

    Science.gov (United States)

    Usha, B; Venkataraman, Gayatri; Parida, Ajay

    2009-01-01

    Prosopis juliflora is a tree species that grows well in heavy metal laden industrial sites and accumulates heavy metals. To understand the possible contribution of metallothioneins (MTs) in heavy metal accumulation in P. juliflora, we isolated and compared the metal binding ability of three different types of MTs (PjMT1-3). Glutathione S-transferase fusions of PjMTs (GSTMT1-3) were purified from Escherichia coli cells grown in the presence of 0.3 mM cadmium, copper or zinc. Analysis of metal bound fusion proteins using atomic absorption spectrometry showed that PjMT1 bound higher levels of all three heavy metals as compared to PjMT2 and PjMT3. A comparative analysis of the genomic regions (including promoter for all three PjMTs) is also presented. All three PjMTs are induced by H(2)O(2) and ABA applications. PjMT1 and PjMT2 are induced by copper and zinc respectively while PjMT3 is induced by copper, zinc and cadmium. Variation in induction of PjMTs in response to metal exposure and their differential binding to metals suggests that each MT has a specific role in P. juliflora. Of the three MTs analyzed, PjMT1 shows maximum heavy metal sequestration and is thus a potential candidate for use in heavy metal phytoremediation.

  12. Binding of a cementum attachment protein to extracellular matrix components and to dental surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Pitaru, S; Hekmati, H [Department of Oral Biology, Goldschleger School of Dental Medicine, Tel Aviv University (Israel); Savion, N [Goldschleger Eye Institute, Sackler School of Medicine, Tel Aviv University (Israel); Olsen, S; Narayanan, S A [Department of Pathology, School of Medicine, University of Washington, Seattle, Washington (United States)

    1992-01-01

    Cementum proteins (CP) have been shown to mediate cell attachment. Among these, a 55 kDa protein was isolated. The purpose of the present study was to assess the capacity of CP to bind to non-demineralized and demineralized root surfaces and to support cell attachment to dentin. CP were prepared by sequential extraction of bovine cementum with 25 mM EDTA, 0.5 M acetic acid followed by 4 M guanidine HCl. The latter was subjected to ion exchange chromatography on a DEAE-3SW column and eluted stepwise with a 0-0.5 M NaCl gradient. CP were labelled with [sup 125]I and the capacity of [sup 125]I-CP to bind to mineralized and partially demineralized dentin, synthetic hydroxyapatite, collagen, fibronectin and fibrillar collagen-fibronectin cimplex was assessed. It was found that CP bind specifically to mineralized dentin and synthetic hydroxyapatite but not to demineralized dentin. The specific binding was 60% of the total binding. SDS-PAGE analysis of the proteins bound to dentin indicated that the main bound protein had a molecular weight of 55 kDa. CP exhibited high affinity for fibronectin (k[sub D] = 1.56 x 10[sup -10] M) and fibronectincollagen complex, but their binding to either molecular or fibrillar collagen was negligible. It is suggested that CP may play an important role in the attachment of cells of the periodontium to cementum extracellular matrix during homeostasis and regeneration. (au).

  13. Energetical fly ashes – separation and utilization of metallic valuable components

    Directory of Open Access Journals (Sweden)

    Michalíková Františka

    2000-12-01

    Full Text Available In the contribution, methods of separating metals – Fe, Al, Ge from energetic wastes – fly ashes are presented along with further possibilities of utilization of particular valuable components for industrial purposes.In the contribution, properties of energetic wastes are presented influencing the contents, separability, and utilizability of metal-bearing valuable components. From among physical properties these are grain size distribution and surface area. Chemical properties are characterized by elements contained in combusted coal whose content after combustion is increased 2 to 4 times, depending on the content of ash and combustible matters in original coal. Mineralogical properties of energetic wastes are determined by the combustion process conditions in the course of which mineral novelties are produced in concentrations suitable for separation.In the contribution, methods of separation and utilization of metals such as Fe, Al, Ge are described. From literature information on the processing of Fe component, as well as from results of experiments made at the Department of Mineral Processing and Environmental Protection, Technical University of Kosice follows that the highest concentration and mass yield of the component can be obtained from black coal fly ashes produced in smelting boilers. The content of Al in Slovak energetic wastes is lower than the 30 % Al2O3 limit that conditions an economic technological processing. Only in the case of black coal fly ash from TEKO Kosice and EVO Vojany was the Al2O3 content of 32.93 %. Therefore, in an indirect way – by separating the residues of uncombusted coal and magnetite Fe – the content of Al in fly ash was increased.For Ge, a principle of selective sizing has been utilized.A complex utilization of energetic wastes, that is the separation of metallic components, elimination of particular metals and the subsequent treatment of nonmetallic residue, should be an effective solution in various

  14. Effects of urea, metal ions and surfactants on the binding of baicalein with bovine serum albumin

    Directory of Open Access Journals (Sweden)

    Atanu Singha Roy

    2016-08-01

    Full Text Available The interaction of baicalein with bovine serum albumin (BSA was investigated with the help of spectroscopic and molecular docking studies. The binding affinity of baicalein towards BSA was estimated to be in order of 105 M−1 from fluorescence quenching studies. Negative ΔH° (−5.66±0.14 kJ/mol and positive (ΔS° (+79.96±0.65 J/mol K indicate the presence of electrostatic interactions along with the hydrophobic forces that result in a positive ΔS°. The hydrophobic association of baicalein with BSA diminishes in the presence of sodium dodecyl sulfate (SDS due to probable hydrophobic association of baicalein with SDS, resulting in a negative ΔS° (−40.65±0.87 J/mol K. Matrix-assisted laser desorption ionization/time of flight (MALDI--TOF experiments indicate a 1:1 complexation between baicalein and BSA. The unfolding and refolding phenomena of BSA were investigated in the absence and presence of baicalein using steady-state and fluorescence lifetime measurements. It was observed that the presence of urea ruptured the non-covalent interaction between baicalein and BSA. The presence of metal ions (Ag+, Mg2+, Ni2+, Mn2+, Co2+and Zn2+ increased the binding affinity of ligand towards BSA. The changes in conformational aspects of BSA after ligand binding were also investigated using circular dichroism (CD and Fourier transform infrared (FT-IR spectroscopic techniques. Site selectivity studies following molecular docking analyses indicated the binding of baicalein to site 1 (subdomain IIA of BSA.

  15. Neutron activation analysis of heavy metal binding by fungal cell walls

    International Nuclear Information System (INIS)

    Crusberg, T.C.; Mayer, J.A.

    1994-01-01

    Aqueous effluents are produced during nuclear power and nuclear weapons development activities which frequently contain low levels of dissolved radioactive nuclides. A number of laboratories are now focusing attention to renewable biological materials to provide traps for low concentrations of dissolved radioactive metal ions in wastewater effluents. The term BIOTRAP can be used to describe such materials, and in this laboratory cell wall preparations of the fungus Penicillium ochro-chloron have been employed to demonstrate their capacity and affinity to reversibly bind and remove copper(2). Since neutron activation analysis (NAA) was readily available, that method was one of several applied to this problem as a suitable analytical methodology to study heavy metal-to-BIOTRAP interactions. Copper and mercury provide good examples of metals which are capable of undergoing activation by thermal neutrons. In NAA, 63 Cu (69.1% natural abundance) is converted to 64 Cu which has a half live of 12.7 hr, and 202 Hg (29.7 % natural abundance) is converted to 203 Hg which has a half life of 46.,6 d

  16. How metallic is the binding state of indium hosted by excess-metal chalcogenides in ore deposits?

    Science.gov (United States)

    Ondina Figueiredo, Maria; Pena Silva, Teresa; Oliveira, Daniel; Rosa, Diogo

    2010-05-01

    Discovered in 1863, indium is nowadays a strategic scarce metal used both in classical technologic fields (like low melting-temperature alloys and solders) and in innovative nano-technologies to produce "high-tech devices" by means of new materials, namely liquid crystal displays (LCDs), organic light emitting diodes (OLEDs) and the recently introduced transparent flexible thin-films manufactured with ionic amorphous oxide semiconductors (IAOS). Indium is a typical chalcophile element, seldom forming specific minerals and occurring mainly dispersed within polymetallic sulphides, particularly with excess metal ions [1]. The average content of indium in the Earth's crust is very low but a further increase in its demand is still expected in the next years, thus focusing a special interest in uncovering new exploitation sites through promising polymetallic sulphide ores - e.g., the Iberian Pyrite Belt (IPB) [2] - and in improving recycling technologies. Indium recovery stands mostly on zinc extraction from sphalerite, the natural cubic sulphide which is the prototype of so-called "tetrahedral sulphides" where metal ions fill half of the available tetrahedral sites within the cubic closest packing of sulphur anions where the double of unfilled interstices are available for further in-filling. It is worth remarking that such packing array is particularly suitable for accommodating polymetallic cations by filling closely located interstitial sites [3] as happens in excess-metal tetrahedral sulphides - e.g. bornite, ideally Cu5FeS4, recognized as an In-carrying mineral [4]. Studying the tendency towards In-In interactions able of leading to the formation of polycations would efficiently contribute to understand indium crystal chemistry and the metal binding state in natural chalcogenides. Accordingly, an X-ray absorption near-edge spectroscopy (XANES) study at In L3-edge was undertaken using the instrumental set-up of ID21 beamline at the ESRF (European Synchrotron

  17. The Role of the Component Metals in the Toxicity of Military-Grade Tungsten Alloy

    Directory of Open Access Journals (Sweden)

    Christy A. Emond

    2015-12-01

    Full Text Available Tungsten-based composites have been recommended as a suitable replacement for depleted uranium. Unfortunately, one of these mixtures composed of tungsten (W, nickel (Ni and cobalt (Co induced rhabdomyosarcomas when implanted into the leg muscle of laboratory rats and mice to simulate a shrapnel wound. The question arose as to whether the neoplastic effect of the mixture could be solely attributed to one or more of the metal components. To investigate this possibility, pellets with one or two of the component metals replaced with an identical amount of the biologically-inert metal tantalum (Ta were manufactured and implanted into the quadriceps of B6C3F1 mice. The mice were followed for two years to assess potential adverse health effects. Implantation with WTa, CoTa or WNiTa resulted in decreased survival, but not to the level reported for WNiCo. Sarcomas in the implanted muscle were found in 20% of the CoTa-implanted mice and 5% of the WTa- and WCoTa-implanted rats and mice, far below the 80% reported for WNiCo-implanted mice. The data obtained from this study suggested that no single metal is solely responsible for the neoplastic effects of WNiCo and that a synergistic effect of the three metals in tumor development was likely.

  18. Synthesis of new water-soluble metal-binding polymers: Combinatorial chemistry approach. 1997 mid-year progress report

    International Nuclear Information System (INIS)

    Smith, B.F.

    1997-01-01

    'The first objective of this research is to develop rapid discovery and optimization approaches to new water-soluble chelating polymers. A byproduct of the development approach will be the new, selective, and efficient metal-binding agents. The second objective is to evaluate the concept of using water and organic soluble polymers as new solid supports for combinatorial synthesis. The technology under development, Polymer Filtration (PF), is a technique to selectively remove or recover hazardous and valuable metal ions and radionuclides from various dilute aqueous streams. Not only can this technology be used to remediate contaminated soils and solid surfaces and treat aqueous wastes, it can also be incorporated into facilities as a pollution prevention and waste minimization technology. Polymer Filtration uses water-soluble metal-binding polymers to sequester metal ions in dilute solution. The water-soluble polymers have a sufficiently large molecular size that they can be separated and concentrated using commercial ultrafiltration technology. Water, small organic molecules, and unbound metals pass freely through the ultrafiltration membrane while concentrating the metal-binding polymer. The polymers can then be reused by changing the solution conditions to release the metal ions. The metal-ions are recovered in concentrated form for recycle or disposal using a diafiltration process. The water-soluble polymer can be recycled for further aqueous-stream processing. To advance Polymer Filtration technology to the selectivity levels required for DOE needs. fixture directions in Polymer Filtration must include rapid development, testing, and characterization of new metal-binding polymers. The development of new chelating molecules can be equated to the process of new drugs or new materials discovery. Thus, the authors want to build upon and adapt the combinatorial chemistry approaches developed for rapid molecule generation for the drug industry to the rapid

  19. Fatty Acid-Mediated Inhibition of Metal Binding to the Multi-Metal Site on Serum Albumin: Implications for Cardiovascular Disease.

    Science.gov (United States)

    Blindauer, Claudia A; Khazaipoul, Siavash; Yu, Ruitao; Stewart, Alan J

    2016-01-01

    Human serum albumin (HSA) is the major protein in blood plasma and is responsible for circulatory transport of a range of small molecules including fatty acids, metal ions and drugs. We previously identified the major plasma Zn2+ transport site on HSA and revealed that fatty-acid binding (at a distinct site called the FA2 site) and Zn2+ binding are interdependent via an allosteric mechanism. Since binding affinities of long-chain fatty acids exceed those of plasma Zn2+, this means that under certain circumstances the binding of fatty acid molecules to HSA is likely to diminish HSA Zn2+-binding, and hence affects the control of circulatory and cellular Zn2+ dynamics. This relationship between circulatory fatty acid and Zn2+ dynamics is likely to have important physiological and pathological implications, especially since it has been recognised that Zn2+ acts as a signalling agent in many cell types. Fatty acid levels in the blood are dynamic, but most importantly, chronic elevation of plasma fatty acid levels is associated with some metabolic disorders and disease states - including myocardial infarction and other cardiovascular diseases. In this article, we briefly review the metal-binding properties of albumin and highlight the importance of their interplay with fatty acid binding. We also consider the impact of this dynamic link upon levels and speciation of plasma Zn2+, its effect upon cellular Zn2+ homeostasis and its relevance to cardiovascular and circulatory processes in health and disease.

  20. Competition effects in cation binding to humic acid: Conditional affinity spectra for fixed total metal concentration conditions

    Science.gov (United States)

    David, Calin; Mongin, Sandrine; Rey-Castro, Carlos; Galceran, Josep; Companys, Encarnació; Garcés, José Luis; Salvador, José; Puy, Jaume; Cecilia, Joan; Lodeiro, Pablo; Mas, Francesc

    2010-09-01

    Information on the Pb and Cd binding to a purified Aldrich humic acid (HA) is obtained from the influence of different fixed total metal concentrations on the acid-base titrations of this ligand. NICA (Non-Ideal Competitive Adsorption) isotherm has been used for a global quantitative description of the binding, which has then been interpreted by plotting the Conditional Affinity Spectra of the H + binding at fixed total metal concentrations (CAScTM). This new physicochemical tool, here introduced, allows the interpretation of binding results in terms of distributions of proton binding energies. A large increase in the acidity of the phenolic sites as the total metal concentration increases, especially in presence of Pb, is revealed from the shift of the CAScTM towards lower affinities. The variance of the CAScTM distribution, which can be used as a direct measure of the heterogeneity, also shows a significant dependence on the total metal concentration. A discussion of the factors that influence the heterogeneity of the HA under the conditions of each experiment is provided, so that the smoothed pattern exhibited by the titration curves can be justified.

  1. Distinct roles of beta1 metal ion-dependent adhesion site (MIDAS), adjacent to MIDAS (ADMIDAS), and ligand-associated metal-binding site (LIMBS) cation-binding sites in ligand recognition by integrin alpha2beta1.

    Science.gov (United States)

    Valdramidou, Dimitra; Humphries, Martin J; Mould, A Paul

    2008-11-21

    Integrin-ligand interactions are regulated in a complex manner by divalent cations, and previous studies have identified ligand-competent, stimulatory, and inhibitory cation-binding sites. In collagen-binding integrins, such as alpha2beta1, ligand recognition takes place exclusively at the alpha subunit I domain. However, activation of the alphaI domain depends on its interaction with a structurally similar domain in the beta subunit known as the I-like or betaI domain. The top face of the betaI domain contains three cation-binding sites: the metal-ion dependent adhesion site (MIDAS), the ADMIDAS (adjacent to MIDAS), and LIMBS (ligand-associated metal-binding site). The role of these sites in controlling ligand binding to the alphaI domain has yet to be elucidated. Mutation of the MIDAS or LIMBS completely blocked collagen binding to alpha2beta1; in contrast mutation of the ADMIDAS reduced ligand recognition but this effect could be overcome by the activating monoclonal antibody TS2/16. Hence, the MIDAS and LIMBS appear to be essential for the interaction between alphaI and betaI, whereas occupancy of the ADMIDAS has an allosteric effect on the conformation of betaI. An activating mutation in the alpha2 I domain partially restored ligand binding to the MIDAS and LIMBS mutants. Analysis of the effects of Ca(2+), Mg(2+), and Mn(2+) on ligand binding to these mutants showed that the MIDAS is a ligand-competent site through which Mn(2+) stimulates ligand binding, whereas the LIMBS is a stimulatory Ca(2+)-binding site, occupancy of which increases the affinity of Mg(2+) for the MIDAS.

  2. Study on the behavior of heavy metals during thermal treatment of municipal solid waste (MSW) components.

    Science.gov (United States)

    Yu, Jie; Sun, Lushi; Wang, Ben; Qiao, Yu; Xiang, Jun; Hu, Song; Yao, Hong

    2016-01-01

    Laboratory experiments were conducted to investigate the volatilization behavior of heavy metals during pyrolysis and combustion of municipal solid waste (MSW) components at different heating rates and temperatures. The waste fractions comprised waste paper (Paper), disposable chopstick (DC), garbage bag (GB), PVC plastic (PVC), and waste tire (Tire). Generally, the release trend of heavy metals from all MSW fractions in rapid-heating combustion was superior to that in low-heating combustion. Due to the different characteristics of MSW fractions, the behavior of heavy metals varied. Cd exhibited higher volatility than the rest of heavy metals. For Paper, DC, and PVC, the vaporization of Cd can reach as high as 75% at 500 °C in the rapid-heating combustion due to violent combustion, whereas a gradual increase was observed for Tire and GB. Zn and Pb showed a moderate volatilization in rapid-heating combustion, but their volatilities were depressed in slow-heating combustion. During thermal treatment, the additives such as kaolin and calcium can react or adsorb Pb and Zn forming stable metal compounds, thus decreasing their volatilities. The formation of stable compounds can be strengthened in slow-heating combustion. The volatility of Cu was comparatively low in both high and slow-heating combustion partially due to the existence of Al, Si, or Fe in residuals. Generally, in the reducing atmosphere, the volatility of Cd, Pb, and Zn was accelerated for Paper, DC, GB, and Tire due to the formation of elemental metal vapor. TG analysis also showed the reduction of metal oxides by chars forming elemental metal vapor. Cu2S was the dominant Cu species in reducing atmosphere below 900 °C, which was responsible for the low volatility of Cu. The addition of PVC in wastes may enhance the release of heavy metals, while GB and Tire may play an opposite effect. In controlling heavy metal emission, aluminosilicate- and calcium-based sorbents can be co-treated with fuels. Moreover

  3. Calculation of elastic constants of BCC transition metals: tight-binding recursion method

    International Nuclear Information System (INIS)

    Masuda, K.; Hamada, N.; Terakura, K.

    1984-01-01

    The elastic constants of BCC transition metals (Fe, Nb, Mo and W) are calculated by using the tight-binding d band and the Born-Mayer repulsive potential. Introducing a small distortion characteristic to C 44 (or C') elastic deformation and calculating the energy change up to second order in the atomic displacement, the shear elastic constants C 44 and C' are determined. The elastic constants C 11 and C 12 are then calculated by using the relations B=1/3(C 11 + 2C 12 ) and C'=1/2(C 11 -C 12 ), where B is the bulk modulus. In general, the agreement between the present results and the experimental values is satisfactory. The characteristic elasticity behaviour, i.e. the strong Nsub(d) (number of d electrons) dependence of the observed anisotropy factor A=C 44 /C', will also be discussed. (author)

  4. Synthesis of new water-soluble metal-binding polymers: Combinatorial chemistry approach. 1998 annual progress report

    International Nuclear Information System (INIS)

    Kurth, M.J.; Miller, R.B.; Sawan, S.; Smith, B.F.

    1998-01-01

    '(1) Develop rapid discovery and optimization approaches to new water-soluble chelating polymers for use in Polymer Filtration (PF) systems, and (2) evaluate the concept of using water and organic soluble polymers as new solid supports for combinatorial synthesis. Polymer Filtration (PF), which uses water-soluble metal-binding polymers to sequester metal ions in dilute solution with ultrafiltration (UF) to separate the polymers, is a new technology to selectively remove or recover hazardous and valuable metal ions. Future directions in PF must include rapid development, testing, and characterization of new metal-binding polymers. Thus, the authors are building upon and adapting the combinatorial chemistry approach developed for rapid molecule generation for the drug industry to the rapid development of new chelating polymers. The authors have focused on four areas including the development of: (1) synthetic procedures, (2) small ultrafiltration equipment compatible with organic- and aqueous-based combinatorial synthesis, (3) rapid assay techniques, and (4) polymer characterization techniques.'

  5. Proton and metal ion binding to natural organic polyelectrolytes-I. Studies with synthetic model compounds

    Science.gov (United States)

    Marinsky, J.A.; Reddy, M.M.

    1984-01-01

    A unified physico-chemical model, based on a modified Henderson-Hasselbalch equation, for the analysis of ion complexation reactions involving charged polymeric systems is presented and verified. In this model pH = pKa+p(??Ka) + log(??/1 - ??) where Ka is the intrinsic acid dissociation constant of the ionizable functional groups on the polymer, ??Ka is the deviation of the intrinsic constant due to electrostatic interaction between the hydrogen ion and the polyanion, and alpha (??) is the polyacid degree of ionization. Using this approach pKa values for repeating acidic units of polyacrylic (PAA) and polymethacrylic (PMA) acids were found to be 4.25 ?? 0.03 and 4.8 ?? 0.1, respectively. The polyion electrostatic deviation term derived from the potentiometric titration data (i.e. p(??Ka)) is used to calculate metal ion concentration at the complexation site on the surface of the polyanion. Intrinsic cobalt-polycarboxylate binding constants (7.5 for PAA and 5.6 for PMA), obtained using this procedure, are consistent with the range of published binding constants for cobalt-monomer carboxylate complexes. In two phase systems incorporation of a Donnan membrane potential term allows determination of the intrinsic pKa of a cross-linked PMA gel, pKa = 4.83, in excellent agreement with the value obtained for the linear polyelectrolyte and the monomer. Similarly, the intrinsic stability constant for cobalt ion binding to a PMA-gel (??CoPMA+ = 11) was found to be in agreement with the linear polyelectrolyte analogue and the published data for cobalt-carboxylate monodentate complexes. ?? 1984.

  6. Cadmium detoxification strategies in two phytoplankton species: Metal binding by newly synthesized thiolated peptides and metal sequestration in granules

    International Nuclear Information System (INIS)

    Lavoie, Michel; Le Faucheur, Severine; Fortin, Claude; Campbell, Peter G.C.

    2009-01-01

    The aim of this study was to evaluate whether intracellular detoxification mechanisms could explain, at least partially, the different sensitivity to Cd of two freshwater green algae, Chlamydomonas reinhardtii and Pseudokirchneriella subcapitata. Subcellular Cd distribution and the synthesis of metal-binding thiolated peptides were thus examined in both algae exposed to a range of free [Cd 2+ ] from 0.7 to 253 nM. Cadmium partitioning among five subcellular fractions (cellular debris, granules, organelles, heat-denaturable proteins - HDP, and heat-stable proteins - HSP) was determined after differential centrifugation of algal homogenates. Thiolated-peptides, phytochelatins (PC n ) and precursors, were analyzed by HPLC with pre-column monobromobimane derivatization. Cadmium accumulation per cell was 2-4 times greater for C. reinhardtii than for P. subcapitata, yet C. reinhardtii was more resistant to Cd with an EC 50 of 273 nM Cd 2+ [244-333 nM Cd 2+ CI 95% ]) compared to 127 nM Cd 2+ [111-143 nM Cd 2+ CI 95% ] for P. subcapitata. Although [Cd] generally increased in the organelle fractions when free [Cd 2+ ] increased in the experimental media, their relative contributions to the total Cd cellular content decreased, suggesting that partial protection of some metal sensitive sites was achieved by the initiation of cellular detoxification mechanisms. An increase in the proportion of Cd in the granules fraction was observed for C. reinhardtii between 6 and 15 nM Cd 2+ (i.e., at [Cd 2+ ] n , but with longer oligomers for C. reinhardtii. Unknown thiolated compounds (X n ), which were not canonical or hydroxymethyl PC n , were also found in both algae but at much higher concentrations for C. reinhardtii than for P. subcapitata. This difference in thiol synthesis could also be involved in the higher Cd resistance of C. reinhardtii with respect to P. subcapitata. This study demonstrates the importance of metal detoxification strategies in explaining the Cd sensitivity of

  7. WIPP/SRL in-situ tests: MIIT program--The effects of metal package components

    International Nuclear Information System (INIS)

    Covington, J.A.; Wicks, G.G.; Molecke, M.A.

    1991-01-01

    The Materials Interface Interactions Tests or MIIT is the largest in-situ testing program in progress, involving burial of many simulated nuclear waste systems and accompanying package components. In MIIT, waste glass samples were fabricated into the shape of 'pineapple slices', polished on one side. Proposed package components were also made into a similar configuration and the various glasses, metals, and geologic samples were than stacked onto heater elements within Teflon assemblies. This produced interactions of interest by creating glass/glass, glass/salt, and glass/metal interfaces. Since the outer diameter of the metal was smaller than the outer diameter of the glass, a lip was created which was also produced a glass/liquid interface, which was also studied. Overall, a total of 50 stacks or assemblies of pineapple slices were created in seven different stacking arrangements. Each individual assembly was then installed in an instrumented borehole at WIPP. Brine was then added to most of boreholes and the assemblies heated and maintained at 90 degrees C. This was achieved by energizing the central heating and rod that traversed through the middle opening of each of the pineapple slices in each assembly. Due to the design of these units, glass, metal and geologic samples could be removed at time intervals of 6 mos., 1 year, 2 years, and 5 years. Currently, all but the 5 year samples have been removed from test and are being evaluated in laboratories of MIIT participants

  8. The application of prepared porous carbon materials: Effect of different components on the heavy metal adsorption.

    Science.gov (United States)

    Song, Min; Wei, Yuexing; Yu, Lei; Tang, Xinhong

    2016-06-01

    In this study, five typical municipal solid waste (MSW) components (tyres, cardboard, polyvinyl chloride (PVC), acrylic textile, toilet paper) were used as raw materials to prepare four kinds of MSW-based carbon materials (paperboard-based carbon materials (AC1); the tyres and paperboard-based carbon materials (AC2); the tyres, paperboard and PVC-based carbon materials (AC3); the tyres, paperboard, toilet paper, PVC and acrylic textile-based carbon materials (AC4)) by the KOH activation method. The characteristic results illustrate that the prepared carbon adsorbents exhibited a large pore volume, high surface area and sufficient oxygen functional groups. Furthermore, the application of AC1, AC2, AC3, AC4 on different heavy metal (Cu(2+), Zn(2+), Pb(2+), Cr(3+)) removals was explored to investigate their adsorption properties. The effects of reaction time, pH, temperature and adsorbent dosage on the adsorption capability of heavy metals were investigated. Comparisons of heavy metal adsorption on carbon of different components were carried out. Among the four samples, AC1 exhibits the highest adsorption capacity for Cu(2+); the highest adsorption capacities of Pb(2+) and Zn(2+) are obtained for AC2; that of Cr(3+) are obtained for AC4. In addition, the carbon materials exhibit better adsorption capability of Cu(2+) and Pb(2+) than the other two kind of metal ions (Zn(2+) and Cr(3+)). © The Author(s) 2016.

  9. Gradient composite metal-ceramic foam as supportive component for planar SOFCs and MIEC membranes

    International Nuclear Information System (INIS)

    Smorygo, Oleg; Mikutski, Vitali; Marukovich, Alexander; Sadykov, Vladislav; Usoltsev, Vladimir; Mezentseva, Natalia; Borodinecs, Anatolijs; Bobrenok, Oleg

    2011-01-01

    A novel approach to the design of planar gradient porous supports for the thin-film SOFCs and MIEC membranes is described. The support's thermal expansion is controlled by the creation of a two-component composite metal-ceramic foam structure. Thin MIEC membranes and SOFCs were prepared on the composite supports by the layerwise deposition of composite functional layers including complex fluorites and perovskites. Lab-scale studies demonstrated promising performance of both MIEC membrane and SOFC.

  10. Gradient composite metal-ceramic foam as supportive component for planar SOFCs and MIEC membranes

    Science.gov (United States)

    Smorygo, Oleg; Mikutski, Vitali; Marukovich, Alexander; Sadykov, Vladislav; Usoltsev, Vladimir; Mezentseva, Natalia; Borodinecs, Anatolijs; Bobrenok, Oleg

    2011-06-01

    A novel approach to the design of planar gradient porous supports for the thin-film SOFCs and MIEC membranes is described. The support's thermal expansion is controlled by the creation of a two-component composite metal-ceramic foam structure. Thin MIEC membranes and SOFCs were prepared on the composite supports by the layerwise deposition of composite functional layers including complex fluorites and perovskites. Lab-scale studies demonstrated promising performance of both MIEC membrane and SOFC.

  11. Agile Production of Sheet Metal Aviation Components Using Disposable Electromagnetic Actuators

    OpenAIRE

    Carson, B.; Daehn, G.; Psyk, V.; Tekkaya, A. E.; Weddeling, C.; Woodward, S.

    2010-01-01

    Electromagnetic forming is a process used to produce high strain rates that improve the formability of sheet metal. The objective of this paper is to discuss the feasibility of the use of disposable actuators during electromagnetic forming of two aluminum components: an industry part whose main feature is a convex flange with two joggles, and a simple part with a one-dimensional curve throughout. The main forming complications after the parts were formed using conventional methods were the pr...

  12. The metal-binding function of metallothioneins and the state of antioxidant defense of carp gills under water pollution by heavy metals

    International Nuclear Information System (INIS)

    Stolyar, O.B.; Fal'fushins'ka, G.Yi.; Arsan, V.O.

    2005-01-01

    To investigate the influence of waterborne heavy metal ions on the metal-binding function of metallothioneins and the antioxidant defence in gills, carp (Cyprinus carpio L.) was exposed to copper, zinc, manganese, and lead ions in environmentally realistic concentrations (0.01, 0.1, 0.12, and 0.01 mg/l, respectively) or their mix for 14 days. The results indicate that the metal poisoning provokes the changes in the copper, manganese, and zinc contents in gills and their distribution among the molecular forms of metallothioneins and another tissue targets

  13. The Role of Metal Binding in the Amyotrophic Lateral Sclerosis-Related Aggregation of Copper-Zinc Superoxide Dismutase

    Directory of Open Access Journals (Sweden)

    Ivana Sirangelo

    2017-08-01

    Full Text Available Protein misfolding and conformational changes are common hallmarks in many neurodegenerative diseases involving formation and deposition of toxic protein aggregates. Although many players are involved in the in vivo protein aggregation, physiological factors such as labile metal ions within the cellular environment are likely to play a key role. In this review, we elucidate the role of metal binding in the aggregation process of copper-zinc superoxide dismutase (SOD1 associated to amyotrophic lateral sclerosis (ALS. SOD1 is an extremely stable Cu-Zn metalloprotein in which metal binding is crucial for folding, enzymatic activity and maintenance of the native conformation. Indeed, demetalation in SOD1 is known to induce misfolding and aggregation in physiological conditions in vitro suggesting that metal binding could play a key role in the pathological aggregation of SOD1. In addition, this study includes recent advances on the role of aberrant metal coordination in promoting SOD1 aggregation, highlighting the influence of metal ion homeostasis in pathologic aggregation processes.

  14. Branchial cadmium and copper binding and intestinal cadmium uptake in wild yellow perch (Perca flavescens) from clean and metal-contaminated lakes

    International Nuclear Information System (INIS)

    Klinck, J.S.; Green, W.W.; Mirza, R.S.; Nadella, S.R.; Chowdhury, M.J.; Wood, C.M.; Pyle, G.G.

    2007-01-01

    Branchial binding kinetics and gastro-intestinal uptake of copper and cadmium where examined in yellow perch (Perca flavescens) from a metal-contaminated lake (Hannah Lake, Sudbury, Ontario, Canada) and an uncontaminated lake (James Lake, North Bay, Ontario, Canada). An in vivo approach was taken for gill binding comparisons while an in vitro gut binding assay was employed for gastro-intestinal tract (GIT) uptake analysis. By investigating metal uptake at the gill and the gut we cover the two main routes of metal entry into fish. Comparisons of water and sediment chemistries, metal burdens in benthic invertebrate, and metal burdens in the livers of perch from the two study lakes clearly show that yellow perch from Hannah L. are chronically exposed to a highly metal-contaminated environment compared to a reference lake. We found that metal-contaminated yellow perch showed no significant difference in gill Cd binding compared to reference fish, but they did show significant decreases in new Cd binding and absorption in their GITs. The results show that gill Cd binding may involve low-capacity, high-affinity binding sites, while gastro-intestinal Cd uptake involves binding sites that are high-capacity, low-affinity. From this we infer that Cd may be more critically controlled at the gut rather than gills. Significant differences in branchial Cu binding (increased binding) were observed in metal-contaminated yellow perch. We suggest that chronic waterborne exposure to Cu (and/or other metals) may be the dominant influence in gill Cu binding rather than chronic exposure to high Cu diets. We give supporting evidence that Cd is taken up in the GIT, at least in part, by a similar pathway as Ca 2+ , principally that elevated dietary Ca 2+ reduces Cd binding and uptake. Overall our study reveals that metal pre-exposure via water and diet can alter uptake kinetics of Cu and Cd at the gill and/or the gut

  15. Branchial cadmium and copper binding and intestinal cadmium uptake in wild yellow perch (Perca flavescens) from clean and metal-contaminated lakes

    Energy Technology Data Exchange (ETDEWEB)

    Klinck, J.S. [Department of Biology, McMaster University, Hamilton, Ont. L8S 4K1 (Canada)], E-mail: klinckjs@mcmaster.ca; Green, W.W.; Mirza, R.S. [Department of Biology, McMaster University, Hamilton, Ont. L8S 4K1 (Canada); Department of Biology, Nipissing University, North Bay, Ont. P1B 8L7 (Canada); Nadella, S.R.; Chowdhury, M.J.; Wood, C.M. [Department of Biology, McMaster University, Hamilton, Ont. L8S 4K1 (Canada); Pyle, G.G. [Department of Biology, Nipissing University, North Bay, Ont. P1B 8L7 (Canada)

    2007-08-30

    Branchial binding kinetics and gastro-intestinal uptake of copper and cadmium where examined in yellow perch (Perca flavescens) from a metal-contaminated lake (Hannah Lake, Sudbury, Ontario, Canada) and an uncontaminated lake (James Lake, North Bay, Ontario, Canada). An in vivo approach was taken for gill binding comparisons while an in vitro gut binding assay was employed for gastro-intestinal tract (GIT) uptake analysis. By investigating metal uptake at the gill and the gut we cover the two main routes of metal entry into fish. Comparisons of water and sediment chemistries, metal burdens in benthic invertebrate, and metal burdens in the livers of perch from the two study lakes clearly show that yellow perch from Hannah L. are chronically exposed to a highly metal-contaminated environment compared to a reference lake. We found that metal-contaminated yellow perch showed no significant difference in gill Cd binding compared to reference fish, but they did show significant decreases in new Cd binding and absorption in their GITs. The results show that gill Cd binding may involve low-capacity, high-affinity binding sites, while gastro-intestinal Cd uptake involves binding sites that are high-capacity, low-affinity. From this we infer that Cd may be more critically controlled at the gut rather than gills. Significant differences in branchial Cu binding (increased binding) were observed in metal-contaminated yellow perch. We suggest that chronic waterborne exposure to Cu (and/or other metals) may be the dominant influence in gill Cu binding rather than chronic exposure to high Cu diets. We give supporting evidence that Cd is taken up in the GIT, at least in part, by a similar pathway as Ca{sup 2+}, principally that elevated dietary Ca{sup 2+} reduces Cd binding and uptake. Overall our study reveals that metal pre-exposure via water and diet can alter uptake kinetics of Cu and Cd at the gill and/or the gut.

  16. Perspectives from ab-initio and tight-binding: Applications to transition metal compounds and superlattices

    Science.gov (United States)

    Venkataraman, Vijay Shankar

    The experimental and theoretical study of transition metal compounds have occupied condensed matter physicists for the best part of the last century. The rich variety of physical behaviour exhibited by these compounds owes its origin to the subtle balance of the energy scales at play for the d orbitals. In this thesis, we study three different systems comprised of transition metal atoms from the third, the fourth, and the fifth group of the periodic table using a combination of ab-initio density functional theory (DFT) computations and effective tight-binding models for the electronic properties. We first consider the electronic properties of artificially fabricated perovskite superlattices of the form [(SrIrO3)m / SrTiO3] with integer m denoting the number of layers of SrIrO3. After discussing the results of experiments undertaken by our collaborators, we present the results of our DFT calculations and build tight-binding models for the m = 1 and m = 2 superlattices. The active ingredient is found to be the 5d orbitals with significant spin-orbit coupling. We then study the energies of magnetic ground states within DFT and compare and contrast our results with those obtained for the bulk Ruddlesden-Popper iridates. Together with experimental measurements, our results suggest that these superlattices are an exciting venue to probe the magnetism and metal-insulator transitions that occur from the intricate balance of the spin-orbit coupling and electron interactions, as has been reported for their bulk counterparts. Next, we consider alpha-RuCl3, a honeycomb lattice compound. We first show using DFT calculations in conjunction with experiments performed by our collaborators, how spin-orbit coupling in the 4d orbitals of Ru is essential to understand the insulating state realized in this compound. Then, in the latter half of the chapter, we study the magnetic ground states of a two-dimensional analogue of alpha-RuCl3 in weak and strong-coupling regimes obtained from

  17. Characterization and localization of metal-responsive-element-binding transcription factors from tilapia

    International Nuclear Information System (INIS)

    Cheung, Andrew Pok-Lap; Au, Candy Yee-Man; Chan, William Wai-Lun; Chan, King Ming

    2010-01-01

    Two isoforms of MTF-1, MTF-1L (long form) and MTF-1S (short form), were cloned in tilapia (Ti) and characterized in a tilapia liver cell line, Hepa-T1. The cloned tiMTF-1L has the characteristics of all of the tiMTF-1S identified so far with the zinc finger domain having six fingers, the acidic-rich, proline-rich, and serine/threonine-rich domains; however, the short form encodes for the zinc finger domain with five zinc fingers only and no other domains. The transient transfection of tiMTF-1L into human HepG2 cells showed both constitutive and zinc-induced metal-responsive-element (MRE)-driven reporter gene expression. However, the transfection of tiMTF-1S (which lacks all three transactivation domains) into a human cell line showed reduced transcriptional activities compared with an endogenous control in both basal- and Zn 2+ -induced conditions. The tiMTF-1 isoforms were tagged with GFP and transfected into Hepa-T1 cells (tilapia hepatocytes). The nuclear translocation of tiMTF-1L was observed when the cells were exposed to a sufficient concentration of metals for 6 h. However, tiMTF-1S, was localized in the nucleus with or without metal treatment. Electrophoretic mobility shift assay (EMSA) confirmed that both of the isoforms were able to bind to the MRE specifically in vitro. Tissue distribution studies showed that tiMTF-1L was more abundant than tiMTF-1S in all of the tissues tested.

  18. Characterization and localization of metal-responsive-element-binding transcription factors from tilapia

    Energy Technology Data Exchange (ETDEWEB)

    Cheung, Andrew Pok-Lap; Au, Candy Yee-Man; Chan, William Wai-Lun [Department of Biochemistry, Chinese University of Hong Kong, Sha Tin, N.T., Hong Kong (Hong Kong); Chan, King Ming, E-mail: kingchan@cuhk.edu.hk [Department of Biochemistry, Chinese University of Hong Kong, Sha Tin, N.T., Hong Kong (Hong Kong)

    2010-08-01

    Two isoforms of MTF-1, MTF-1L (long form) and MTF-1S (short form), were cloned in tilapia (Ti) and characterized in a tilapia liver cell line, Hepa-T1. The cloned tiMTF-1L has the characteristics of all of the tiMTF-1S identified so far with the zinc finger domain having six fingers, the acidic-rich, proline-rich, and serine/threonine-rich domains; however, the short form encodes for the zinc finger domain with five zinc fingers only and no other domains. The transient transfection of tiMTF-1L into human HepG2 cells showed both constitutive and zinc-induced metal-responsive-element (MRE)-driven reporter gene expression. However, the transfection of tiMTF-1S (which lacks all three transactivation domains) into a human cell line showed reduced transcriptional activities compared with an endogenous control in both basal- and Zn{sup 2+}-induced conditions. The tiMTF-1 isoforms were tagged with GFP and transfected into Hepa-T1 cells (tilapia hepatocytes). The nuclear translocation of tiMTF-1L was observed when the cells were exposed to a sufficient concentration of metals for 6 h. However, tiMTF-1S, was localized in the nucleus with or without metal treatment. Electrophoretic mobility shift assay (EMSA) confirmed that both of the isoforms were able to bind to the MRE specifically in vitro. Tissue distribution studies showed that tiMTF-1L was more abundant than tiMTF-1S in all of the tissues tested.

  19. Functional analysis of the citrate activator CitO from Enterococcus faecalis implicates a divalent metal in ligand binding

    Directory of Open Access Journals (Sweden)

    Victor S. Blancato

    2016-02-01

    Full Text Available The regulator of citrate metabolism, CitO, from Enterococcus faecalis belongs to the FCD family within the GntR superfamily. In the presence of citrate, CitO binds to cis-acting sequences located upstream of the cit promoters inducing the expression of genes involved in citrate utilization. The quantification of the molecular binding affinities, performed by isothermal titration calorimetry (ITC, indicated that CitO has a high affinity for citrate (KD= 1.2±0.2 µM, while it did not recognize other metabolic intermediates. Based on a structural model of CitO where a putative small molecule and a metal binding site were identified, it was hypothesized that the metal ion is required for citrate binding. In agreement with this model, citrate binding to CitO sharply decreased when the protein was incubated with EDTA. This effect was reverted by the addition of Ni2+, and Zn2+ to a lesser extent. Structure-based site-directed mutagenesis was conducted and it was found that changes to alanine in residues Arg97 and His191 resulted in decreased binding affinities for citrate, as determined by EMSA and ITC. Further assays using lacZ fusions confirmed that these residues in CitO are involved in sensing citrate in vivo. These results indicate that the molecular modifications induced by a ligand and a metal binding in the C-terminal domain of CitO are required for optimal DNA binding activity, and consequently, transcriptional activation.

  20. Effect of Binding Components in Complex Sample Matrices on Recovery in Direct Immersion Solid-Phase Microextraction: Friends or Foe?

    Science.gov (United States)

    Alam, Md Nazmul; Pawliszyn, Janusz

    2018-02-20

    The development of matrix compatible coatings for solid-phase microextraction (SPME) has enabled direct extraction of analytes from complex sample matrices. The direct immersion (DI) mode of SPME when utilized in conjunction with such extraction phases facilitates extraction of a wide range of analytes from complex matrices without the incurrence of fouling or coating saturation. In this work, mathematical models and computational simulations were employed to investigate the effect of binding components present in complex samples on the recovery of small molecules varying in logP for extractions carried out using the direct immersion approach. The presented findings corroborate that the studied approach indeed enables the extraction of both polar and nonpolar analytes from complex matrices, provided a suitable sorbent is employed. Further results indicated that, in certain cases, the kinetics of extraction of a given analyte in its free form might be dependent on the desorption kinetics of their bound form from matrix components, which might lower total recoveries of analytes with high affinity for the matrix. However, the binding of analytes to matrix components also enables SPME to extract a balanced quantity of different logP analytes, facilitated by multiphase equilibria, with a single extraction device.

  1. CD and MCD studies of the effects of component B variant binding on the biferrous active site of methane monooxygenase.

    Science.gov (United States)

    Mitić, Natasa; Schwartz, Jennifer K; Brazeau, Brian J; Lipscomb, John D; Solomon, Edward I

    2008-08-12

    The multicomponent soluble form of methane monooxygenase (sMMO) catalyzes the oxidation of methane through the activation of O 2 at a nonheme biferrous center in the hydroxylase component, MMOH. Reactivity is limited without binding of the sMMO effector protein, MMOB. Past studies show that mutations of specific MMOB surface residues cause large changes in the rates of individual steps in the MMOH reaction cycle. To define the structural and mechanistic bases for these observations, CD, MCD, and VTVH MCD spectroscopies coupled with ligand-field (LF) calculations are used to elucidate changes occurring near and at the MMOH biferrous cluster upon binding of MMOB and the MMOB variants. Perturbations to both the CD and MCD are observed upon binding wild-type MMOB and the MMOB variant that similarly increases O 2 reactivity. MMOB variants that do not greatly increase O 2 reactivity fail to cause one or both of these changes. LF calculations indicate that reorientation of the terminal glutamate on Fe2 reproduces the spectral perturbations in MCD. Although this structural change allows O 2 to bridge the diiron site and shifts the redox active orbitals for good overlap, it is not sufficient for enhanced O 2 reactivity of the enzyme. Binding of the T111Y-MMOB variant to MMOH induces the MCD, but not CD changes, and causes only a small increase in reactivity. Thus, both the geometric rearrangement at Fe2 (observed in MCD) coupled with a more global conformational change that may control O 2 access (probed by CD), induced by MMOB binding, are critical factors in the reactivity of sMMO.

  2. Electronic and Magnetic Properties of Transition-Metal Oxide Nanocomposites: A Tight-Binding Modeling at Mesoscale

    Science.gov (United States)

    Tai, Yuan-Yen; Zhu, Jian-Xin

    Transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new functionalities can arise, which are absent in individual components. In this talk, I will present an overview on our recent efforts in theoretical understanding of the electronic and magnetic properties TMO nanocomposites. In particular, I will introduce our recently developed tight-binding modeling of these properties arising from the interplay of competing interactions at the interfaces of planar and pillar nanocomposites. Our theoretical tool package will provide a unique capability to address the emergent phenomena in TMO nanocomposites and their mesoscale response to such effects like strain and microstructures at the interfaces, and ultimately help establish design principles of new multifunctionality with TMOs. This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at LANL under Contract No. DE-AC52-06NA25396, and was supported by the LANL LDRD Program.

  3. Bacterial exopolysaccharides as a modern biotechnological tool for modification of fungal laccase properties and metal ion binding.

    Science.gov (United States)

    Osińska-Jaroszuk, Monika; Jaszek, Magdalena; Starosielec, Magdalena; Sulej, Justyna; Matuszewska, Anna; Janczarek, Monika; Bancerz, Renata; Wydrych, Jerzy; Wiater, Adrian; Jarosz-Wilkołazka, Anna

    2018-03-26

    Four bacterial EPSs extracted from Rhizobium leguminosarum bv. trifolii Rt24.2, Sinorhizobium meliloti Rm1021, Bradyrhizobium japonicum USDA110, and Bradyrhizobium elkanii USDA76 were determined towards their metal ion adsorption properties and possible modification of Cerrena unicolor laccase properties. The highest magnesium and iron ion-sorption capacity (~ 42 and ~ 14.5%, respectively) was observed for EPS isolated from B. japonicum USDA110. An evident influence of EPSs on the stability of laccase compared to the control values (without EPSs) was shown after 30-day incubation at 25 °C. The residual activity of laccases was obtained in the presence of Rh76EPS and Rh1021EPS, i.e., 49.5 and 41.5% of the initial catalytic activity, respectively. This result was confirmed by native PAGE electrophoresis. The EPS effect on laccase stability at different pH (from 3.8 to 7.0) was also estimated. The most significant changes at the optimum pH value (pH 5.8) was observed in samples of laccase stabilized by Rh76EPS and Rh1021EPS. Cyclic voltamperometry was used for analysis of electrochemical parameters of laccase stabilized by bacterial EPS and immobilized on single-walled carbon nanotubes (SWCNTs) with aryl residues. Laccases with Rh76EPS and Rh1021EPS had an evident shift of the value of the redox potential compared to the control without EPS addition. In conclusion, the results obtained in this work present a new potential use of bacterial EPSs as a metal-binding component and a modulator of laccase properties especially stability of enzyme activity, which can be a very effective tool in biotechnology and industrial applications.

  4. Reaction of some macrolide antibiotics with the ribosome. Labeling of the binding site components

    International Nuclear Information System (INIS)

    Tejedor, F.; Ballesta, J.P.

    1986-01-01

    Radioactive carbomycin A, niddamycin, tylosin, and spiramycin, but not erythromycin, can be covalently bound to Escherichia coli ribosomes by incubation at 37 degrees C. The incorporation of radioactivity into the particles is inhibited by SH- and activated double bond containing compounds but not by amino groups, suggesting that the reactions may take place by addition to the double bond present in the reactive antibiotics. This thermic reaction must be different from the photoreaction described for some of these macrolides [Tejedor, F., and Ballesta, J. P. G. (1985) Biochemistry 24, 467-472] since tylosin, which is not photoincorporated, is thermically bound to ribosomes. Most of the radioactivity is incorporated into the ribosomal proteins. Two-dimensional gel electrophoresis of proteins labeled by carbomycin A, niddamycin, and tylosin indicates that about 40% of the radioactivity is bound to protein L27; the rest is distributed among several other proteins such as L8, L2, and S12, to differing extents depending on the drug used. These results indicate, in accordance with previous data, that protein L27 plays an important role in the macrolide binding site, confirming that these drugs bind near the peptidyl transferase center of the ribosome

  5. Age effect on components of episodic memory and feature binding: A virtual reality study.

    Science.gov (United States)

    Plancher, Gaën; Gyselinck, Valerie; Nicolas, Serge; Piolino, Pascale

    2010-05-01

    The aims were (1) to explore the effects of normal aging on the main aspects of episodic memory--what, where, and when,--and on feature binding in a virtual environment; (2) to explore the influence of the mode of learning, intentional versus incidental; and (3) to benchmark virtual environment findings collected with older adults against data recorded in classical neuropsychological tests. We tested a population of 82 young adults and 78 older adults without dementia (they participated in a short battery of neuropsychological tests). All the participants drove a car in an urban virtual environment composing of 9 turns and specific areas. Half of the participants were told to drive through the virtual town; the other half were asked to drive and to memorize the environment (itinerary, elements, etc.). All aspects of episodic memory were then assessed (what, where, when, and binding). The older participants had less recollection of the spatiotemporal context of events than the younger with intentional encoding (p episodic memory.

  6. Studies of metal binding by the iron transport protein transferrin using time differential perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Then, G.M.

    1987-01-01

    The binding of the transition metal hafnium to transferrin was studied under various chemical conditions using time differential perturbed γγ angular correlation spectroscopy (TDPAC). Observing the electric quadrupole interaction of the 181 Hf probe nuclei size and symmetry of the electric field gradient induced by the ligands of the metal ions can be determined. The experimental data suggest how homogeneous the binding conditions are and to which extend relaxation phenomena are involved. Due to the excellent time resolution obtained with new BaF 2 detectors the quadrupole coupling parameters of 181 Hf-transferrin could be determined very accurately. Under nearly physiological conditions different binding configurations were quantitatively characterized by spectroscopic means and distinguished with high specificity. (orig./PW) [de

  7. Amides Do Not Always Work: Observation of Guest Binding in an Amide-Functionalized Porous Metal-Organic Framework.

    Science.gov (United States)

    Benson, Oguarabau; da Silva, Ivan; Argent, Stephen P; Cabot, Rafel; Savage, Mathew; Godfrey, Harry G W; Yan, Yong; Parker, Stewart F; Manuel, Pascal; Lennox, Matthew J; Mitra, Tamoghna; Easun, Timothy L; Lewis, William; Blake, Alexander J; Besley, Elena; Yang, Sihai; Schröder, Martin

    2016-11-16

    An amide-functionalized metal organic framework (MOF) material, MFM-136, shows a high CO 2 uptake of 12.6 mmol g -1 at 20 bar and 298 K. MFM-136 is the first example of an acylamide pyrimidyl isophthalate MOF without open metal sites and, thus, provides a unique platform to study guest binding, particularly the role of free amides. Neutron diffraction reveals that, surprisingly, there is no direct binding between the adsorbed CO 2 /CH 4 molecules and the pendant amide group in the pore. This observation has been confirmed unambiguously by inelastic neutron spectroscopy. This suggests that introduction of functional groups solely may not necessarily induce specific guest-host binding in porous materials, but it is a combination of pore size, geometry, and functional group that leads to enhanced gas adsorption properties.

  8. Workshop Report on Additive Manufacturing for Large-Scale Metal Components - Development and Deployment of Metal Big-Area-Additive-Manufacturing (Large-Scale Metals AM) System

    Energy Technology Data Exchange (ETDEWEB)

    Babu, Sudarsanam Suresh [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility; Love, Lonnie J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility; Peter, William H. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility; Dehoff, Ryan [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Manufacturing Demonstration Facility

    2016-05-01

    Additive manufacturing (AM) is considered an emerging technology that is expected to transform the way industry can make low-volume, high value complex structures. This disruptive technology promises to replace legacy manufacturing methods for the fabrication of existing components in addition to bringing new innovation for new components with increased functional and mechanical properties. This report outlines the outcome of a workshop on large-scale metal additive manufacturing held at Oak Ridge National Laboratory (ORNL) on March 11, 2016. The charter for the workshop was outlined by the Department of Energy (DOE) Advanced Manufacturing Office program manager. The status and impact of the Big Area Additive Manufacturing (BAAM) for polymer matrix composites was presented as the background motivation for the workshop. Following, the extension of underlying technology to low-cost metals was proposed with the following goals: (i) High deposition rates (approaching 100 lbs/h); (ii) Low cost (<$10/lbs) for steel, iron, aluminum, nickel, as well as, higher cost titanium, (iii) large components (major axis greater than 6 ft) and (iv) compliance of property requirements. The above concept was discussed in depth by representatives from different industrial sectors including welding, metal fabrication machinery, energy, construction, aerospace and heavy manufacturing. In addition, DOE’s newly launched High Performance Computing for Manufacturing (HPC4MFG) program was reviewed. This program will apply thermo-mechanical models to elucidate deeper understanding of the interactions between design, process, and materials during additive manufacturing. Following these presentations, all the attendees took part in a brainstorming session where everyone identified the top 10 challenges in large-scale metal AM from their own perspective. The feedback was analyzed and grouped in different categories including, (i) CAD to PART software, (ii) selection of energy source, (iii

  9. Current trends in degradation assesment on metallic materials of industrial components

    International Nuclear Information System (INIS)

    Herrera Palma, Victoria

    2007-01-01

    To needs to assess objectively a structural integrity analysis in nuclear and termal power-, oil- and chemical- industry system, represents a large challenge for engineer and researches related to Materials Science, equipment manufactures or users. These systems share many of their problems with regards to aging mechanism of components metallic materials, high replacement costs and increasing requirements on efficiency and safety. This paper makes an attempt to give an overview of the current trends on material damage and residual life assessment for installation of power-, oil- and chemical industry. Some of the currently existing ideas on components inspection, as an activity for damage detection are shown. A summary on mechanism of material damage and experimental techniques for their characterization is also presented. Finally, some analytical methods with wide appliance in materials damage evaluation and residual life assesment of components are described

  10. ETMB-RBF: discrimination of metal-binding sites in electron transporters based on RBF networks with PSSM profiles and significant amino acid pairs.

    Science.gov (United States)

    Ou, Yu-Yen; Chen, Shu-An; Wu, Sheng-Cheng

    2013-01-01

    Cellular respiration is the process by which cells obtain energy from glucose and is a very important biological process in living cell. As cells do cellular respiration, they need a pathway to store and transport electrons, the electron transport chain. The function of the electron transport chain is to produce a trans-membrane proton electrochemical gradient as a result of oxidation-reduction reactions. In these oxidation-reduction reactions in electron transport chains, metal ions play very important role as electron donor and acceptor. For example, Fe ions are in complex I and complex II, and Cu ions are in complex IV. Therefore, to identify metal-binding sites in electron transporters is an important issue in helping biologists better understand the workings of the electron transport chain. We propose a method based on Position Specific Scoring Matrix (PSSM) profiles and significant amino acid pairs to identify metal-binding residues in electron transport proteins. We have selected a non-redundant set of 55 metal-binding electron transport proteins as our dataset. The proposed method can predict metal-binding sites in electron transport proteins with an average 10-fold cross-validation accuracy of 93.2% and 93.1% for metal-binding cysteine and histidine, respectively. Compared with the general metal-binding predictor from A. Passerini et al., the proposed method can improve over 9% of sensitivity, and 14% specificity on the independent dataset in identifying metal-binding cysteines. The proposed method can also improve almost 76% sensitivity with same specificity in metal-binding histidine, and MCC is also improved from 0.28 to 0.88. We have developed a novel approach based on PSSM profiles and significant amino acid pairs for identifying metal-binding sites from electron transport proteins. The proposed approach achieved a significant improvement with independent test set of metal-binding electron transport proteins.

  11. Corrugated metal surface with pillars for terahertz surface plasmon polariton waveguide components

    KAUST Repository

    Yuehong, Xu

    2018-01-12

    In the terahertz regime, due to perfect conductivity of most metals, it is hard to realize a strong confinement of Surface plasmon polaritons (SPPs) although a propagation loss could be sufficiently low. We experimentally demonstrated a structure with periodic pillars arranged on a thin metal surface that supports bound modes of spoof SPPs at terahertz (THz) frequencies. By using scanning near-field THz microscopy, the electric field distribution above the metal surface within a distance of 130 μm was mapped. The results proved that this structure could guide spoof SPPs propagating along subwavelength waveguides, and at the same time reduce field expansion into free space. Further, for the development of integrated optical circuits, several components including straight waveguide, S-bend, Y-splitter and directional couplers were designed and characterized by the same method. We believe that the waveguide components proposed here will pave a new way for the development of flexible, wideband and compact photonic circuits operating at THz frequencies.

  12. Corrugated metal surface with pillars for terahertz surface plasmon polariton waveguide components

    KAUST Repository

    Yuehong, Xu; Yanfeng, Li; Chunxiu, Tian; Jiaguang, Han; Quan, Xu; Xueqian, Zhang; Xixiang, Zhang; Ying, Zhang; Weili, Zhang

    2018-01-01

    In the terahertz regime, due to perfect conductivity of most metals, it is hard to realize a strong confinement of Surface plasmon polaritons (SPPs) although a propagation loss could be sufficiently low. We experimentally demonstrated a structure with periodic pillars arranged on a thin metal surface that supports bound modes of spoof SPPs at terahertz (THz) frequencies. By using scanning near-field THz microscopy, the electric field distribution above the metal surface within a distance of 130 μm was mapped. The results proved that this structure could guide spoof SPPs propagating along subwavelength waveguides, and at the same time reduce field expansion into free space. Further, for the development of integrated optical circuits, several components including straight waveguide, S-bend, Y-splitter and directional couplers were designed and characterized by the same method. We believe that the waveguide components proposed here will pave a new way for the development of flexible, wideband and compact photonic circuits operating at THz frequencies.

  13. Multi parametric sensitivity study applied to temperature measurement of metallic plasma facing components in fusion devices

    International Nuclear Information System (INIS)

    Aumeunier, M-H.; Corre, Y.; Firdaouss, M.; Gauthier, E.; Loarer, T.; Travere, J-M.; Gardarein, J-L.; EFDA JET Contributor

    2013-06-01

    In nuclear fusion experiments, the protection system of the Plasma Facing Components (PFCs) is commonly ensured by infrared (IR) thermography. Nevertheless, the surface monitoring of new metallic plasma facing component, as in JET and ITER is being challenging. Indeed, the analysis of infrared signals is made more complicated in such a metallic environment since the signals will be perturbed by the reflected photons coming from high temperature regions. To address and anticipate this new measurement environment, predictive photonic models, based on Monte-Carlo ray tracing (SPEOS R CAA V5 Based), have been performed to assess the contribution of the reflective part in the total flux collected by the camera and the resulting temperature error. This paper deals with the effects of metals features, as the emissivity and reflectivity models, on the accuracy of the surface temperature estimation. The reliability of the features models is discussed by comparing the simulation with experimental data obtained with the wide angle IR thermography system of JET ITER like wall. The impact of the temperature distribution is studied by considering two different typical plasma scenarios, in limiter (ITER start-up scenario) and in X-point configurations (standard divertor scenario). The achievable measurement performances of IR system and risks analysis on its functionalities are discussed. (authors)

  14. Solvation of a Small Metal-Binding Peptide in Room-Temperature Ionic Liquids

    Energy Technology Data Exchange (ETDEWEB)

    Shim, Youngseon; Jung, Younjoon [Seoul National Univ., Seoul (Korea, Republic of); Kim, Hyung J. [Carnegie Mellon Univ., Pittsburgh (United States)

    2012-11-15

    Structural properties of a small hexapeptide molecule modeled after metal-binding siderochrome immersed in a room-temperature ionic liquid (RTIL) are studied via molecular dynamics simulations. We consider two different RTILs, each of which is made up of the same cationic species, 1-butyl-3-methylimidazolium (BMI{sup +}), but different anions, hexafluorophosphate (PF{sub 6}{sup -}) and chloride (Cl{sup -}). We investigate how anionic properties such as hydrophobicity/hydrophilicity or hydrogen bonding capability affect the stabilization of the peptide in RTILs. To examine the effect of peptide-RTIL electrostatic interactions on solvation, we also consider a hypothetical solvent BMI{sup 0}Cl{sup 0}, a non-ionic counter-part of BMI{sup +}Cl{sup -}. For reference, we investigate solvation structures in common polar solvents, water and dimethylsulfoxide (DMSO). Comparison of BMI{sup +}Cl{sup -} and BMI{sup 0}Cl{sup 0} shows that electrostatic interactions of the peptide and RTIL play a significant role in the conformational fluctuation of the peptide. For example, strong electrostatic interactions between the two favor an extended conformation of the peptide by reducing its structural fluctuations. The hydrophobicity/hydrophilicity of RTIL anions also exerts a notable influence; specifically, structural fluctuations of the peptide become reduced in more hydrophilic BMI{sup +}Cl{sup -}, compared with those in more hydrophobic BMI{sup +}PF{sub 6}{sup -}. This is ascribed to the good hydrogen-bond accepting power of chloride anions, which enables them to bind strongly to hydroxyl groups of the peptide and to stabilize its structure. Transport properties of the peptide are examined briefly. Translations of the peptide significantly slow down in highly viscous RTILs.

  15. Mechanistic Inferences from the Binding of Ligands to LpxC, A Metal-Dependent Deacetylase

    International Nuclear Information System (INIS)

    Gennadios, H.; Whittington, D.; Li, X.; Fierke, C.; Christianson, D.

    2006-01-01

    The metal-dependent deacetylase LpxC catalyzes the first committed step of lipid A biosynthesis in Gram-negative bacteria. Accordingly, LpxC is an attractive target for the development of inhibitors that may serve as potential new antibiotics for the treatment of Gram-negative bacterial infections. Here, we report the 2.7 Angstroms resolution X-ray crystal structure of LpxC complexed with the substrate analogue inhibitor TU-514 and the 2.0 Angstroms resolution structure of LpxC complexed with imidazole. The X-ray crystal structure of LpxC complexed with TU-514 allows for a detailed examination of the coordination geometry of the catalytic zinc ion and other enzyme-inhibitor interactions in the active site. The hydroxamate group of TU-514 forms a bidentate chelate complex with the zinc ion and makes hydrogen bond interactions with conserved active site residues E78, H265, and T191. The inhibitor C-4 hydroxyl group makes direct hydrogen bond interactions with E197 and H58. Finally, the C-3 myristate moiety of the inhibitor binds in the hydrophobic tunnel of the active site. These intermolecular interactions provide a foundation for understanding structural aspects of enzyme-substrate and enzyme-inhibitor affinity. Comparison of the TU-514 complex with cacodylate and imidazole complexes suggests a possible substrate diphosphate binding site and highlights residues that may stabilize the tetrahedral intermediate and its flanking transition states in catalysis. Evidence of a catalytic zinc ion in the native zinc enzyme coordinated by H79, H238, D242, and two water molecules with square pyramidal geometry is also presented. These results suggest that the native state of this metallohydrolase may contain a pentacoordinate zinc ion, which contrasts with the native states of archetypical zinc hydrolases such as thermolysin and carboxypeptidase A

  16. Sequential Proton Loss Electron Transfer in Deactivation of Iron(IV) Binding Protein by Tyrosine Based Food Components.

    Science.gov (United States)

    Tang, Ning; Skibsted, Leif H

    2017-08-02

    The iron(IV) binding protein ferrylmyoglobin, MbFe(IV)═O, was found to be reduced by tyrosine based food components in aqueous solution through a sequential proton loss electron transfer reaction mechanism without binding to the protein as confirmed by isothermal titration calorimetry. Dopamine and epinephrine are the most efficient food components reducing ferrylmyoglobin to oxymyoglobin, MbFe(II)O 2 , and metmyoglobin, MbFe(III), as revealed by multivariate curve resolution alternating least-squares with second order rate constants of 33.6 ± 2.3 L/mol/s (ΔH ⧧ of 19 ± 5 kJ/mol, ΔS ⧧ of -136 ± 18 J/mol K) and 228.9 ± 13.3 L/mol/s (ΔH ⧧ of 110 ± 7 kJ/mol, ΔS ⧧ of 131 ± 25 J/mol K), respectively, at pH 7.4 and 25 °C. The other tyrosine based food components were found to reduce ferrylmyoglobin to metmyoglobin with similar reduction rates at pH 7.4 and 25 °C. These reduction reactions were enhanced by protonation of ferrylmyoglobin and facilitated proton transfer at acidic conditions. Enthalpy-entropy compensation effects were observed for the activation parameters (ΔH ⧧ and ΔS ⧧ ), indicating the common reaction mechanism. Moreover, principal component analysis combined with heat map were performed to understand the relationship between density functional theory calculated molecular descriptors and kinetic data, which was further modeled by partial least squares for quantitative structure-activity relationship analysis. In addition, a three tyrosine residue containing protein, lysozyme, was also found to be able to reduce ferrylmyoglobin with a second order rate constant of 66 ± 28 L/mol/s as determined by a competitive kinetic method.

  17. Nanoscale characteristics of triacylglycerol oils: phase separation and binding energies of two-component oils to crystalline nanoplatelets.

    Science.gov (United States)

    MacDougall, Colin J; Razul, M Shajahan; Papp-Szabo, Erzsebet; Peyronel, Fernanda; Hanna, Charles B; Marangoni, Alejandro G; Pink, David A

    2012-01-01

    Fats are elastoplastic materials with a defined yield stress and flow behavior and the plasticity of a fat is central to its functionality. This plasticity is given by a complex tribological interplay between a crystalline phase structured as crystalline nanoplatelets (CNPs) and nanoplatelet aggregates and the liquid oil phase. Oil can be trapped within microscopic pores within the fat crystal network by capillary action, but it is believed that a significant amount of oil can be trapped by adsorption onto crystalline surfaces. This, however, remains to be proven. Further, the structural basis for the solid-liquid interaction remains a mystery. In this work, we demonstrate that the triglyceride liquid structure plays a key role in oil binding and that this binding could potentially be modulated by judicious engineering of liquid triglyceride structure. The enhancement of oil binding is central to many current developments in this area since an improvement in the health characteristics of fat and fat-structured food products entails a reduction in the amount of crystalline triacylglycerols (TAGs) and a relative increase in the amount of liquid TAGs. Excessive amounts of unbound, free oil, will lead to losses in functionality of this important food component. Engineering fats for enhanced oil binding capacity is thus central to the design of more healthy food products. To begin to address this, we modelled the interaction of triacylglycerol oils, triolein (OOO), 1,2-olein elaidin (OOE) and 1,2-elaidin olein (EEO) with a model crystalline nanoplatelet composed of tristearin in an undefined polymorphic form. The surface of the CNP in contact with the oil was assumed to be planar. We considered pure OOO and mixtures of OOO + OOE and OOO + EEO with 80% OOO. The last two cases were taken as approximations to high oleic sunflower oil (HOSO). The intent was to investigate whether phase separation on a nanoscale took place. We defined an "oil binding capacity" parameter, B

  18. Single, binary and multi-component adsorption of some anions and heavy metals on environmentally friendly Carpobrotus edulis plant.

    Science.gov (United States)

    Chiban, Mohamed; Soudani, Amina; Sinan, Fouad; Persin, Michel

    2011-02-01

    A low-cost adsorbent and environmentally friendly adsorbent from Carpobrotus edulis plant was used for the removal of NO(3)(-), H(2)PO(4)(-), Pb(2+) and Cd(2+) ions from single, binary and multi-component systems. The efficiency of the adsorbent was studied using batch adsorption technique under different experimental conditions by varying parameters such as pH, initial concentration and contact time. In single component systems, the dried C. edulis has the highest affinity for Pb(2+), followed by NO(3)(-), Cd(2+) and H(2)PO(4)(-), with adsorption capacities of 175mg/g, 125mg/g, 28mg/g and 26mg/g, respectively. These results showed that the adsorption of NO(3)(-) and H(2)PO(4)(-) ions from single and binary component systems can be successfully described by Langmuir and Freundlich isotherms. Freundlich adsorption model, showed the best fit to the single and binary experimental adsorption data. These results also indicated that the adsorption yield of Pb(2+) ion was reduced by the presence of Cd(2+) ion in binary metal mixture. The competitive adsorption of NO(3)(-), H(2)PO(4)(-), Pb(2+) and Cd(2+) ions on dried C. edulis plant shows that NO(3)(-) and H(2)PO(4)(-) anions are able to adsorb on different free binding sites and Pb(2+) and Cd(2+) cations are able to adsorb on the same active sites of C. edulis particles. The dried C. edulis was found to be efficient in removing nitrate, phosphate, cadmium and lead from aqueous solution as compared to other adsorbents already used for the removal of these ions. Copyright © 2010 Elsevier B.V. All rights reserved.

  19. Different components of 3H-imipramine binding in rat brain membranes: relation to serotonin uptake sites

    International Nuclear Information System (INIS)

    Gobbi, M.; Taddei, C.; Mennini, T.

    1988-01-01

    In the present paper, the authors confirm and extend previous studies showing heterogeneous 3 H-imipramine ( 3 H-IMI) binding sites. Inhibition curves of various drugs (serotonin, imipramine, desmethyl-imipramine, d-fenfluramine, d-norfenfluramine and indalpine, a potent serotonin uptake inhibitor) obtained using 2 nM 3 H-IMI and in presence of 120 mM NaCl, confirmed the presence of at least three 3 H-IMI binding sites: two of these were serotonin-insensitive while the third one was selectively inhibited by serotonin and indalpine with nanomolar affinities. Moreover this last component was found to be selectively modulated by chronic imipramine treatment thus suggesting a close relation to serontonin uptake mechanism. These data indicate that the use of a more selective inhibitors of the serotonin-sensitive component (like indalpine or serotonin itself) to define non specific 3 H-IMI, may be of help in understanding its relation with serotonin uptake system. 22 references, 2 figures, 2 tables

  20. Water-soluble metal-binding polymers with ultrafiltration: A technology for the removal, concentration, and recovery of metal ions from aqueous streams

    International Nuclear Information System (INIS)

    Smith, B.F.; Robison, T.W.; Jarvinen, G.D.

    1997-01-01

    The use of water-soluble metal-binding polymers coupled with ultrafiltration (UF) is a technology under development to selectively concentrate and recover valuable or regulated metal-ions from dilute process or waste waters. The polymers have a sufficiently large molecular size that they can be separated and concentrated using commercially available UF technology. The polymers can then be reused by changing the solution conditions to release the metal-ions, which are recovered in a concentrated form for recycle or disposal. Pilot-scale demonstrations have been completed for a variety of waste streams containing low concentrations of metal ions including electroplating wastes (zinc and nickel) and nuclear waste streams (plutonium and americium). Many other potential commercial applications exist including remediation of contaminated solids. An overview of both the pilot-scale demonstrated applications and small scale testing of this technology are presented

  1. Water-soluble metal-binding polymers with ultrafiltration: A technology for the removal, concentration, and recovery of metal ions from aqueous streams

    Energy Technology Data Exchange (ETDEWEB)

    Smith, B.F.; Robison, T.W.; Jarvinen, G.D.

    1997-12-31

    The use of water-soluble metal-binding polymers coupled with ultrafiltration (UF) is a technology under development to selectively concentrate and recover valuable or regulated metal-ions from dilute process or waste waters. The polymers have a sufficiently large molecular size that they can be separated and concentrated using commercially available UF technology. The polymers can then be reused by changing the solution conditions to release the metal-ions, which are recovered in a concentrated form for recycle or disposal. Pilot-scale demonstrations have been completed for a variety of waste streams containing low concentrations of metal ions including electroplating wastes (zinc and nickel) and nuclear waste streams (plutonium and americium). Many other potential commercial applications exist including remediation of contaminated solids. An overview of both the pilot-scale demonstrated applications and small scale testing of this technology are presented.

  2. Dissociation and metal-binding characteristics of yellow lichen substances suggest a relationship with site preferences of lichens.

    Science.gov (United States)

    Hauck, Markus; Jürgens, Sascha-René; Willenbruch, Karen; Huneck, Siegfried; Leuschner, Christoph

    2009-01-01

    Many species of lichen-forming fungi contain yellow or orange extracellular pigments belonging to the dibenzofurans (usnic acid), anthraquinones (e.g. parietin) or pulvinic acid group. These pigments are all equally efficient light screens, leading us to question the potential ecological and evolutionary significance of diversity in yellow and orange lichen substances. Here the hypothesis is tested that the different pigments differ in metal-binding characteristics, which suggest that they may contribute to adaptation to sites differing in pH and metal availability. UV spectroscopy was used to study the dissociation and the pH dependence of the metal-binding behaviour of seven isolated lichen substances in methanol. Metals applied were selected macro- and micro-nutrients (Cu(2+), Fe(2+), Fe(3+), Mg(2+), Mn(2+) and Zn(2+)). All the pigments studied are strong to moderate acids with pK(a1) values between 2.8 and 4.5. Metal complexation is common in the lichen substances studied. Complexation takes place under acidic conditions with usnic acid, but under alkaline conditions with parietin and most compounds of the pulvinic acid group. The pulvinic acid derivative rhizocarpic acid forms metal complexes both in the acidic and the alkaline range. Metal complexation by lichen substances could be a prerequisite for lichen substance-mediated control of metal uptake. Assuming such an effect at pH values where the affinity of the metal for the lichen substance is intermediate would explain the strong preference of lichens with usnic or rhizocarpic acids to acidic substrata. Moreover, it would explain the preference of lichens with parietin and some lichens with compounds of the pulvinic acid group either for nutrient-rich substrata at low pH or for calcareous substrata.

  3. Consistent Practices for the Probability of Detection (POD) of Fracture Critical Metallic Components Project

    Science.gov (United States)

    Hughitt, Brian; Generazio, Edward (Principal Investigator); Nichols, Charles; Myers, Mika (Principal Investigator); Spencer, Floyd (Principal Investigator); Waller, Jess (Principal Investigator); Wladyka, Jordan (Principal Investigator); Aldrin, John; Burke, Eric; Cerecerez, Laura; hide

    2016-01-01

    NASA-STD-5009 requires that successful flaw detection by NDE methods be statistically qualified for use on fracture critical metallic components, but does not standardize practices. This task works towards standardizing calculations and record retention with a web-based tool, the NNWG POD Standards Library or NPSL. Test methods will also be standardized with an appropriately flexible appendix to -5009 identifying best practices. Additionally, this appendix will describe how specimens used to qualify NDE systems will be cataloged, stored and protected from corrosion, damage, or loss.

  4. On the glass transition of the one-component metallic melts

    Czech Academy of Sciences Publication Activity Database

    Fedorchenko, Alexander I.

    2017-01-01

    Roč. 475, October (2017), s. 362-367 ISSN 0022-0248 Institutional support: RVO:61388998 Keywords : equilibrium and non-equilibrium solidification * criterion of the phase transition scenario * one-component metal melts Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 1.751, year: 2016 http://ac.els-cdn.com/S0022024817304281/1-s2.0-S0022024817304281-main.pdf?_tid=a12ba97e-873b-11e7-b6be-00000aacb35e&acdnat=1503407763_5cdbcdb15d504baf5f8dfb94886b3100

  5. Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites.

    Science.gov (United States)

    Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

    2018-02-01

    The performance of lead-halide perovskites in optoelectronic devices is due to a unique combination of factors, including highly efficient generation, transport, and collection of photogenerated charge carriers. The mechanism behind efficient charge generation in lead-halide perovskites is still largely unknown. Here, we investigate the factors that influence the exciton binding energy (E b ) in a series of metal-halide perovskites using accurate first-principles calculations based on solution of the Bethe-Salpeter equation, coupled to ab initio molecular dynamics simulations. We find that E b is strongly modulated by screening from low-energy phonons, which account for a factor ∼2 E b reduction, while dynamic disorder and rotational motion of the organic cations play a minor role. We calculate E b = 15 meV for MAPbI 3 , in excellent agreement with recent experimental estimates. We then explore how different material combinations (e.g., replacing Pb → Pb:Sn→ Sn; and MA → FA → Cs) may lead to different E b values and highlight the mechanisms underlying E b tuning.

  6. Identification of pheromone components and their binding affinity to the odorant binding protein CcapOBP83a-2 of the Mediterranean fruit fly, Ceratitis capitata

    Czech Academy of Sciences Publication Activity Database

    Siciliano, P.; He, X. L.; Woodcock, C.; Pickett, J. A.; Field, L. M.; Birkett, M. A.; Kalinová, Blanka; Gomulski, L. M.; Scolari, F.; Gasperi, G.; Malacrida, A. R.; Zhou, J. J.

    2014-01-01

    Roč. 48, May (2014), s. 51-62 ISSN 0965-1748 Institutional support: RVO:61388963 Keywords : medfly * Ceratitis capitata * olfaction * odorant binding protein * pheromone binding protein * pheromone * binding studies * protein expression * electroantennography * GC-EAG * fluorescence displacement Subject RIV: CE - Biochemistry Impact factor: 3.450, year: 2014

  7. Gap and impact of LMR [Liquid Metal Reactor] piping systems and reactor components

    International Nuclear Information System (INIS)

    Ma, D.C.; Gvildys, J.; Chang, Y.W.

    1987-01-01

    Because of high operation temperature, the LMR (Liquid Metal Reactor) plant is characterized by the thin-walled piping and components. Gaps are often present to allow free thermal expansion during normal plant operation. Under dynamic loadings, such as seismic excitation, if the relative displacement between the components exceeds the gap distance, impacts will occur. Since the components and piping become brittle over their design lifetime, impact is of important concern for it may lead to fractures of components and other serious effects. This paper deals with gap and impact problems in the LMR reactor components and piping systems. Emphasis is on the impacts due to seismic motion. Eight sections are contained in this paper. The gap and impact problems in LMR piping systems are described and a parametric study is performed on the effects of gap-induced support nonlinearity on the dynamics characteristics of the LMR piping systems. Gap and impact problems in the LMR reactor components are identified and their mathematical models are illustrated, and the gap and impact problems in the seismic reactor scram are discussed. The mathematical treatments of various impact models are also described. The uncertainties in the current seismic impact analyses of LMR components and structures are presented. An impact test on a 1/10-scale LMR thermal liner is described. The test results indicated that several clusters of natural modes can be excited by the impact force. The frequency content of the excited modes depends on the duration of the impact force; the shorter the duration, the higher the frequency content

  8. Effects of alkali metal cations on phospho-enzyme levels and [3H] ouabain binding to (Na+ + K+)-ATPase.

    Science.gov (United States)

    Han, C S; Tobin, T; Akera, T; Brody, T M

    1976-05-13

    The effects of several alkali metal cations on the relationship between steady state phospho-enzyme levels and initial velocity and equilibrium levels of [3H]-ouabain binding to (Na+ + K+)-ATPase (ATP phosphohydrolase EC 3.6.1.3.) were examined. Only Na+ increased both phospho-enzyme and [3H] ouabain binding levels above those observed in the presence of Mg2+ alone. While Na+ stimulated phosphorylation with an apparent Km of about 1 mM, its stimulation of [3H] ouabain binding was biphasic, the lower Km for stimulation corresponding to the Km for formation of phospho-enzyme. Among the other alkali metal cations, potassium, rubidium and lithium were at least eight times more effect in reducing phospho-enzyme levels than in reducing [3H] ouabain binding. This discrepancy is not due to the stability of the enzyme-ouabain complex, nor to any action on the rates of formation or dissociation of the enzyme-ouabain complex. The data thus suggest that [3H] ouabain interacts with the K+, Rb+ or Li+ -enzyme complexes. For Li+, this hypothesis is further supported by the observation that Li+ can cirectly increase the equilibrium level of [3H] ouabain binding to this enzyme under certain conditions.

  9. Crystal Structures of Apo and Metal-Bound Forms of the UreE Protein from Helicobacter pylori: Role of Multiple Metal Binding Sites

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Rong; Munger, Christine; Asinas, Abdalin; Benoit, Stephane L.; Miller, Erica; Matte, Allan; Maier, Robert J.; Cygler, Miroslaw (McGill); (Georgia); (Biotech Res.)

    2010-10-22

    The crystal structure of the urease maturation protein UreE from Helicobacter pylori has been determined in its apo form at 2.1 {angstrom} resolution, bound to Cu{sup 2+} at 2.7 {angstrom} resolution, and bound to Ni{sup 2+} at 3.1 {angstrom} resolution. Apo UreE forms dimers, while the metal-bound enzymes are arranged as tetramers that consist of a dimer of dimers associated around the metal ion through coordination by His102 residues from each subunit of the tetramer. Comparison of independent subunits from different crystal forms indicates changes in the relative arrangement of the N- and C-terminal domains in response to metal binding. The improved ability of engineered versions of UreE containing hexahistidine sequences at either the N-terminal or C-terminal end to provide Ni{sup 2+} for the final metal sink (urease) is eliminated in the H102A version. Therefore, the ability of the improved Ni{sup 2+}-binding versions to deliver more nickel is likely an effect of an increased local concentration of metal ions that can rapidly replenish transferred ions bound to His102.

  10. Application of new design methodologies to very high-temperature metallic components of the HTTR

    International Nuclear Information System (INIS)

    Hada, Kazuhiko; Ohkubo, Minoru; Baba, Osamu

    1991-01-01

    The high-temperature piping and helium-to-helium intermediate heat exchanger of the High-Temperature Engineering Test Reactor (HTTR) are designed to be operating at very high temperatures of about 900deg C among the class 1 components of the HTTR. At such a high temperature, mechanical strength of heat-resistant metallic materials is very low and thermal expansions of structural members are large. Therefore, innovative design methodologies are needed to reduce both mechanical and thermal loads acting on these components. To the HTTR, the design methodologies which can separate the heat-resistant function from the pressure-retaining functions and allow them to expand freely are applied to reduce pressure and thermal loads. Since these design methodologies need to verify their applicability, the Japan Atomic Energy Research Institute (JAERI) has been performing many design and research works on their verifications. The details of the design methodologies and their verifications are given in this paper. (orig.)

  11. Design feasibility study of a divertor component reinforced with fibrous metal matrix composite laminate

    International Nuclear Information System (INIS)

    You, J.-H.

    2005-01-01

    Fibrous metal matrix composites possess advanced mechanical properties compared to conventional alloys. It is expected that the application of these composites to a divertor component will enhance the structural reliability. A possible design concept would be a system consisting of tungsten armour, copper composite interlayer and copper heat sink where the composite interlayer is locally inserted into the highly stressed domain near the bond interface. For assessment of the design feasibility of the composite divertor concept, a non-linear multi-scale finite element analysis was performed. To this end, a micro-mechanics algorithm was implemented into a finite element code. A reactor-relevant heat flux load was assumed. Focus was placed on the evolution of stress state, plastic deformation and ductile damage on both macro- and microscopic scales. The structural response of the component and the micro-scale stress evolution of the composite laminate were investigated

  12. Design feasibility study of a divertor component reinforced with fibrous metal matrix composite laminate

    Energy Technology Data Exchange (ETDEWEB)

    You, J.-H. [Max-Planck-Institut fuer Plasmaphysik, EURATOM Association, Boltzmannstr. 2, D-85748 Garching (Germany)]. E-mail: j.h.you@ipp.mpg.de

    2005-01-01

    Fibrous metal matrix composites possess advanced mechanical properties compared to conventional alloys. It is expected that the application of these composites to a divertor component will enhance the structural reliability. A possible design concept would be a system consisting of tungsten armour, copper composite interlayer and copper heat sink where the composite interlayer is locally inserted into the highly stressed domain near the bond interface. For assessment of the design feasibility of the composite divertor concept, a non-linear multi-scale finite element analysis was performed. To this end, a micro-mechanics algorithm was implemented into a finite element code. A reactor-relevant heat flux load was assumed. Focus was placed on the evolution of stress state, plastic deformation and ductile damage on both macro- and microscopic scales. The structural response of the component and the micro-scale stress evolution of the composite laminate were investigated.

  13. Microscopic Motion of Liquid Metal Plasma Facing Components In A Diverted Plasma

    International Nuclear Information System (INIS)

    Jaworski, M.A.; Gerhardt, S.P.; Morley, N.B.; Abrams, T.; Kaita, R.; Kallman, J.; Kugel, H.; Majeski, R.; Ruzic, D.N.

    2010-01-01

    Liquid metal plasma facing components (PFCs) have been identified as an alternative material for fusion plasma experiments. The use of a liquid conductor where significant magnetic fields are present is considered risky, with the possibility of macroscopic fluid motion and possible ejection into the plasma core. Analysis is carried out on thermoelectric magnetohydrodynamic (TEMHD) forces caused by temperature gradients in the liquid-container system itself in addition to scrape-off-layer currents interacting with the PFC from a diverted plasma. Capillary effects at the liquid-container interface will be examined which govern droplet ejection criteria. Stability of the interface is determined using linear stability methods. In addition to application to liquidmetal PFCs, thin film liquidmetal effects have application to current and future devices where off-normal events may liquefy portions of the first wall and other plasma facing components.

  14. Study of displacement cascades in metals by means of component analysis

    International Nuclear Information System (INIS)

    Hou, M.

    1981-01-01

    Component analysis is used to study the spatial distributions of point defects resulting from collision cascades in solids. The components are the three (orthogonal) eigenvectors of the covariance matrix of the spatial distribution. Those corresponding to the extreme eigenvalues determine the directions maximizing and minimizing the variance of the spatial distribution. The intermediate one is the direction maximizing the variance of the distribution projected on a plane perpendicular to the principal component. The standard deviations of the distribution projected on the three components give a measure of its size. This measure is only dependent on the cascade structure. Vacancy and interstitial distributions generated in metals by the computer code MARLOWE based on the binary collision approximation are analysed and compared in this picture. The simulation of hundreds of cascades generated by projectiles in the keV energy range incident on polycrystalline gold makes it possible to collect information on their average spatial anisotropy, energy density and on the casade development. The dependence of characteristics on the energy and the masses involved is discussed. (orig.)

  15. High-temperature, high-pressure bonding of nested tubular metallic components

    International Nuclear Information System (INIS)

    Quinby, T.C.

    1980-01-01

    This invention is a tool for effecting high-temperature, high compression bonding between the confronting faces of nested, tubular, metallic components. In a typical application, the tool is used to produce tubular target assemblies for irradiation in nuclear reactors or particle accelerators, the target assembly comprising a uranium foil and an aluminum-alloy substrate. The tool preferably is composed throughout of graphite. It comprises a tubular restraining member in which a mechanically expandable tubular core is mounted to form an annulus with the member. The components to be bonded are mounted in nested relation in the annulus. The expandable core is formed of individually movable, axially elongated segments whose outer faces cooperatively define a cylindrical pressing surface and whose inner faces cooperatively define two opposed, inwardly tapered, axial bores. Tapered rams extend respectively into the bores. The loaded tool is mounted in a conventional hot-press provided with evacuation means, heaters for maintaining its interior at bonding temperature, and hydraulic cylinders for maintaining a selected inwardly directed pressure on the tapered rams. With the hotpress evacuated and the loaded tool at the desired temperature, the cylinders are actuated to apply the selected pressure to the rams. The rams in turn expand the segmented core to maintain the nested components in compression against the restraining member. These conditions are maintained until the confronting faces of the nested components are joined in a continuous, uniform bond characterized by high thermal conductivity

  16. High-temperature, high-pressure bonding of nested tubular metallic components

    Science.gov (United States)

    Quinby, T.C.

    A tool is described for effecting high-temperature, high-compression bonding between the confronting faces of nested, tubular, metallic components. In a typical application, the tool is used to produce tubular target assemblies for irradiation in nuclear reactors or particle accelerators. The target assembly comprising a uranum foil and an aluninum-alloy substrate. The tool is composed of graphite. It comprises a tubular restraining member in which a mechanically expandable tubular core is mounted to form an annulus. The components to be bonded are mounted in nested relation in the annulus. The expandable core is formed of individually movable, axially elongated segments whose outer faces cooperatively define a cylindrical pressing surface and whose inner faces cooperatively define two opposed, inwardly tapered, axial bores. Tapered rams extend into the bores. The loaded tool is mounted in a conventional hot-press provided with evacuation means, heaters for maintaining its interior at bonding temperature, and hydraulic cylinders for maintaining a selected inwardly directed pressure on the tapered rams. With the hot-press evacuated and the loaded tool at the desired temperature, the cylinders are actuated to apply the selected pressure to the rams. The rams in turn expand the segmented core to maintain the nested components in compression against the restraining member. These conditions are maintained until the confronting faces of the nested components are joined in a continuous, uniform bond characterized by high thermal conductivity.

  17. A proteomic analysis of LRRK2 binding partners reveals interactions with multiple signaling components of the WNT/PCP pathway.

    Science.gov (United States)

    Salašová, Alena; Yokota, Chika; Potěšil, David; Zdráhal, Zbyněk; Bryja, Vítězslav; Arenas, Ernest

    2017-07-11

    Autosomal-dominant mutations in the Park8 gene encoding Leucine-rich repeat kinase 2 (LRRK2) have been identified to cause up to 40% of the genetic forms of Parkinson's disease. However, the function and molecular pathways regulated by LRRK2 are largely unknown. It has been shown that LRRK2 serves as a scaffold during activation of WNT/β-catenin signaling via its interaction with the β-catenin destruction complex, DVL1-3 and LRP6. In this study, we examine whether LRRK2 also interacts with signaling components of the WNT/Planar Cell Polarity (WNT/PCP) pathway, which controls the maturation of substantia nigra dopaminergic neurons, the main cell type lost in Parkinson's disease patients. Co-immunoprecipitation and tandem mass spectrometry was performed in a mouse substantia nigra cell line (SN4741) and human HEK293T cell line in order to identify novel LRRK2 binding partners. Inhibition of the WNT/β-catenin reporter, TOPFlash, was used as a read-out of WNT/PCP pathway activation. The capacity of LRRK2 to regulate WNT/PCP signaling in vivo was tested in Xenopus laevis' early development. Our proteomic analysis identified that LRRK2 interacts with proteins involved in WNT/PCP signaling such as the PDZ domain-containing protein GIPC1 and Integrin-linked kinase (ILK) in dopaminergic cells in vitro and in the mouse ventral midbrain in vivo. Moreover, co-immunoprecipitation analysis revealed that LRRK2 binds to two core components of the WNT/PCP signaling pathway, PRICKLE1 and CELSR1, as well as to FLOTILLIN-2 and CULLIN-3, which regulate WNT secretion and inhibit WNT/β-catenin signaling, respectively. We also found that PRICKLE1 and LRRK2 localize in signalosomes and act as dual regulators of WNT/PCP and β-catenin signaling. Accordingly, analysis of the function of LRRK2 in vivo, in X. laevis revelaed that LRKK2 not only inhibits WNT/β-catenin pathway, but induces a classical WNT/PCP phenotype in vivo. Our study shows for the first time that LRRK2 activates the WNT

  18. Liquid-metal plasma-facing component research on the National Spherical Torus Experiment

    International Nuclear Information System (INIS)

    Jaworski, M A; Khodak, A; Kaita, R

    2013-01-01

    Liquid metal plasma-facing components (PFCs) have been proposed as a means of solving several problems facing the creation of economically viable fusion power reactors. Liquid metals face critical issues in three key areas: free-surface stability, material migration and demonstration of integrated scenarios. To date, few demonstrations exist of this approach in a diverted tokamak and we here provide an overview of such work on the National Spherical Torus Experiment (NSTX). The liquid lithium divertor (LLD) was installed and operated for the 2010 run campaign using evaporated coatings as the filling method. Despite a nominal liquid level exceeding the capillary structure and peak current densities into the PFCs exceeding 100 kA m −2 , no macroscopic ejection events were observed. The stability can be understood from a Rayleigh–Taylor instability analysis. Capillary restraint and thermal-hydraulic considerations lead to a proposed liquid-metal PFCs scheme of actively-supplied, capillary-restrained systems. Even with state-of-the-art cooling techniques, design studies indicate that the surface temperature with divertor-relevant heat fluxes will still reach temperatures above 700 °C. At this point, one would expect significant vapor production from a liquid leading to a continuously vapor-shielded regime. Such high-temperature liquid lithium PFCs may be possible on the basis of momentum-balance arguments. (paper)

  19. Liquid-metal plasma-facing component research on the National Spherical Torus Experiment

    Science.gov (United States)

    Jaworski, M. A.; Khodak, A.; Kaita, R.

    2013-12-01

    Liquid metal plasma-facing components (PFCs) have been proposed as a means of solving several problems facing the creation of economically viable fusion power reactors. Liquid metals face critical issues in three key areas: free-surface stability, material migration and demonstration of integrated scenarios. To date, few demonstrations exist of this approach in a diverted tokamak and we here provide an overview of such work on the National Spherical Torus Experiment (NSTX). The liquid lithium divertor (LLD) was installed and operated for the 2010 run campaign using evaporated coatings as the filling method. Despite a nominal liquid level exceeding the capillary structure and peak current densities into the PFCs exceeding 100 kA m-2, no macroscopic ejection events were observed. The stability can be understood from a Rayleigh-Taylor instability analysis. Capillary restraint and thermal-hydraulic considerations lead to a proposed liquid-metal PFCs scheme of actively-supplied, capillary-restrained systems. Even with state-of-the-art cooling techniques, design studies indicate that the surface temperature with divertor-relevant heat fluxes will still reach temperatures above 700 °C. At this point, one would expect significant vapor production from a liquid leading to a continuously vapor-shielded regime. Such high-temperature liquid lithium PFCs may be possible on the basis of momentum-balance arguments.

  20. Toxic metals distribution in different components of Pakistani and imported cigarettes by electrothermal atomic absorption spectrometer

    International Nuclear Information System (INIS)

    Kazi, T.G.; Jalbani, N.; Arain, M.B.; Jamali, M.K.; Afridi, H.I.; Sarfraz, R.A.; Shah, A.Q.

    2009-01-01

    It was extensively investigated that a significant flux of toxic metals, along with other toxins, reaches the lungs through smoking. In present study toxic metals (TMs) (Al, Cd, Ni and Pb) were determined in different components of Pakistani local branded and imported cigarettes, including filler tobacco (FT), filter (before and after normal smoking by a single volunteer) and ash by electrothermal atomic absorption spectrometer (ETAAS). Microwave-assisted digestion method was employed. The validity and accuracy of methodology were checked by using certified sample of Virginia tobacco leaves (ICHTJ-cta-VTL-2). The percentages (%) of TMs in different components of cigarette were calculated with respect to their total contents in FT of all branded cigarettes before smoking, while smoke concentration has been calculated by subtracting the filter and ash contents from the filler tobacco content of each branded cigarette. The highest percentage (%) of Al was observed in ash of all cigarettes, with range 97.3-99.0%, while in the case of Cd, a reverse behaviour was observed, as a range of 15.0-31.3% of total contents were left in the ash of all branded cigarettes understudy

  1. On the microstructure analysis of FSW joints of aluminium components made via direct metal laser sintering

    Science.gov (United States)

    Scherillo, Fabio; Astarita, Antonello; di Martino, Daniela; Contaldi, Vincenzo; di Matteo, Luca; di Petta, Paolo; Casarin, Renzo; Squillace, Antonino; Langella, Antonio

    2017-10-01

    Additive Manufacturing (AM), applied to metal industry, is a family of processes that allow complex shape components to be realized from raw materials in the form of powders. The compaction of the powders can be achieved by local melting of the powder bed or by solid state sintering. Direct Metal Laser Sintering (DMLS) is an additive manufacturing process in which a focalized laser beam is the heat source that allows the powders to be compacted. By DMLS it is possible to realize complex shape components. One of the limits of DMLS, as for every additive layer manufacturing techniques, is the unfeasibility to realize large dimension parts. Due to this limit the study of joining process of parts made via ALM is of great interest. One of the most promising options is the Friction Stir Welding (FSW), a solid state welding technique that has been proven to be very effective in the welding of metals difficult to weld, above all aluminium alloys. Since FSW is a solid-state technique, the microstructure of the various zone of the weld bead depends not only by the process itself but also by the parent microstruct ure of the parts to be welded. Furthermore, parts made of aluminium alloy via DMLS have a particular microstructure that is the result of repeated severe thermal cycles. In the present work the authors, starting from the description of the parent microstructure of parts made of AlSi10Mg aluminium alloy, study the microstructure evolution occurred within the joint made by Friction Stir Welding, analysing in details the microstructure of the main well recognized zone of the weld bead. The structure of the parent material is characterized by the presence of melting pools with a very fine microstructure. In the joint the recrystallization, the grain refinement and, above all, the redistribution of intermetallic phases occurs, resulting in an homogenization of the microstructure and in an increase of micro hardness.

  2. Toxic metals (Ni2+, Pb2+, Hg2+) binding affinity of dissolved organic matter (DOM) derived from different ages municipal landfill leachate

    Science.gov (United States)

    Rikta, S. Y.; Tareq, Shafi M.; Uddin, M. Khabir

    2018-03-01

    Solid waste production is rapidly increasing in Bangladesh and landfill leachate is the consequence of the decomposition of this waste. These leachates contain heavy metals and significant amount of dissolved organic matter (DOM). DOM is known to have considerable role in heavy metals speciation. Hence, it is important to characterize DOM/leachate and evaluate toxic metals binding affinity of DOM. The objectives of this study were to characterize the DOM in landfill leachate through physico-chemical and optical analyses and to investigate the toxic metals (Ni2+, Pb2+ and Hg2+) binding affinity of three different ages (fresh sample L-1, young sample L-2 and mature sample L-3) DOM samples. Results suggested that leachate is a potential pollutant which contained very high organic pollutant load. Conditional stability constant (Log K) and percentages of fluorophores that correspond to metal binding (% f) values indicated that young DOM sample (L-2) had the highest binding affinity to all the three metals ions. In general, DOM samples showed the following order affinity to the metal ions; Ni2+ binding affinity: L-2 > L-3 > L-1, Pb2+ binding affinity: L-2 > L-3 > L-1 and Hg2+ binding affinity: L-2 > L-1 > L-3.

  3. Nature differences of humic acids fractions induced by extracted sequence as explanatory factors for binding characteristics of heavy metals.

    Science.gov (United States)

    Shi, Wenjing; Lü, Changwei; He, Jiang; En, He; Gao, Manshu; Zhao, Boyi; Zhou, Bin; Zhou, Haijun; Liu, Hualin; Zhang, Yu

    2018-06-15

    The composition and structure of Humic acid (HA) is so heterogeneous that it brings significant barriers to investigate the interaction between HA and heavy metal ions. The isolation of HA with relatively homogeneity is a key to reveal the binding mechanisms between HA and heavy metals. In this work, ten HA fractions (HAs) were obtained by sequential alkali extraction procedure and nature differences of the extracted HAs were considered as explanatory factors for binding characteristics of Cu 2+ , Pb 2+ and Cd 2+ . The results indicate that more large molecular weight (MW) HA subunits, less carboxyl and phenolic group contents, weaker aromaticity and polarity were measured with increasing extractions, inducing weaker binding capacity of HAs. Ligand binding and bi-Langmuir models indicated that the sorption capacity and binding affinity of earlier extracted HAs were higher than the latter ones. The peak area changes at 3427, 1599, and 619 cm -1 pre- and post-adsorption in FTIR spectra suggested carboxyl, phenolic and nitrogen-containing groups were involved in the adsorption process. At the same time, the peak area difference between HAs and HAs-metal (ΔS) of phenolic groups were 8.22-20.50, 6.81-21.11 and 10.66-19.80% for Cu 2+ , Pb 2+ and Cd 2+ , respectively, ΔS of carboxyl groups 6.64-17.03, 8.96-16.82 and 9.45-17.85% for Cu 2+ , Pb 2+ and Cd 2+ , respectively, ΔS of nitrogen-containing groups 0.33-0.48, 0.20-1.38 and 0.31-0.59% for Cu 2+ , Pb 2+ and Cd 2+ , respectively. ΔS of phenolic and carboxyl groups were larger than those of nitrogen-containing groups, implying that these two groups were the predominant binding sites suppliers for metal ions, which were also supported by the results of correlation analysis. This work is helpful to insight the environmental impacts of natural organic matter and the fate of heavy metals in natural environment. Copyright © 2018 Elsevier Inc. All rights reserved.

  4. Genome-wide DNA binding pattern of two-component system response regulator RhpR in Pseudomonas syringae

    Directory of Open Access Journals (Sweden)

    Tianhong Zhou

    2015-06-01

    Full Text Available Although Pseudomonas syringae uses the two-component system RhpRS to modulate the expression of type III secretion system (T3SS genes and pathogenicity, the molecular mechanisms and the regulon of RhpRS have yet to be fully demonstrated. We have performed a genome-wide analysis of RhpR binding to DNA prepared from P. syringae pv. phaseolicola in order to identify candidate direct targets of RhpR-mediated transcriptional regulation, as described in our recent article [1]. The data are available from NCBI Gene Expression Omnibus (GEO with the accession number GSE58533. Here we describe the detailed methods and data analyses of our RhpR ChIP-seq dataset.

  5. A Conserved Metal Binding Motif in the Bacillus subtilis Competence Protein ComFA Enhances Transformation.

    Science.gov (United States)

    Chilton, Scott S; Falbel, Tanya G; Hromada, Susan; Burton, Briana M

    2017-08-01

    Genetic competence is a process in which cells are able to take up DNA from their environment, resulting in horizontal gene transfer, a major mechanism for generating diversity in bacteria. Many bacteria carry homologs of the central DNA uptake machinery that has been well characterized in Bacillus subtilis It has been postulated that the B. subtilis competence helicase ComFA belongs to the DEAD box family of helicases/translocases. Here, we made a series of mutants to analyze conserved amino acid motifs in several regions of B. subtilis ComFA. First, we confirmed that ComFA activity requires amino acid residues conserved among the DEAD box helicases, and second, we show that a zinc finger-like motif consisting of four cysteines is required for efficient transformation. Each cysteine in the motif is important, and mutation of at least two of the cysteines dramatically reduces transformation efficiency. Further, combining multiple cysteine mutations with the helicase mutations shows an additive phenotype. Our results suggest that the helicase and metal binding functions are two distinct activities important for ComFA function during transformation. IMPORTANCE ComFA is a highly conserved protein that has a role in DNA uptake during natural competence, a mechanism for horizontal gene transfer observed in many bacteria. Investigation of the details of the DNA uptake mechanism is important for understanding the ways in which bacteria gain new traits from their environment, such as drug resistance. To dissect the role of ComFA in the DNA uptake machinery, we introduced point mutations into several motifs in the protein sequence. We demonstrate that several amino acid motifs conserved among ComFA proteins are important for efficient transformation. This report is the first to demonstrate the functional requirement of an amino-terminal cysteine motif in ComFA. Copyright © 2017 American Society for Microbiology.

  6. Template-directed covalent conjugation of DNA to native antibodies, transferrin and other metal-binding proteins

    Science.gov (United States)

    Rosen, Christian B.; Kodal, Anne L. B.; Nielsen, Jesper S.; Schaffert, David H.; Scavenius, Carsten; Okholm, Anders H.; Voigt, Niels V.; Enghild, Jan J.; Kjems, Jørgen; Tørring, Thomas; Gothelf, Kurt V.

    2014-09-01

    DNA-protein conjugates are important in bioanalytical chemistry, molecular diagnostics and bionanotechnology, as the DNA provides a unique handle to identify, functionalize or otherwise manipulate proteins. To maintain protein activity, conjugation of a single DNA handle to a specific location on the protein is often needed. However, preparing such high-quality site-specific conjugates often requires genetically engineered proteins, which is a laborious and technically challenging approach. Here we demonstrate a simpler method to create site-selective DNA-protein conjugates. Using a guiding DNA strand modified with a metal-binding functionality, we directed a second DNA strand to the vicinity of a metal-binding site of His6-tagged or wild-type metal-binding proteins, such as serotransferrin, where it subsequently reacted with lysine residues at that site. This method, DNA-templated protein conjugation, facilitates the production of site-selective protein conjugates, and also conjugation to IgG1 antibodies via a histidine cluster in the constant domain.

  7. Selectivity of externally facing ion-binding sites in the Na/K pump to alkali metals and organic cations.

    Science.gov (United States)

    Ratheal, Ian M; Virgin, Gail K; Yu, Haibo; Roux, Benoît; Gatto, Craig; Artigas, Pablo

    2010-10-26

    The Na/K pump is a P-type ATPase that exchanges three intracellular Na(+) ions for two extracellular K(+) ions through the plasmalemma of nearly all animal cells. The mechanisms involved in cation selection by the pump's ion-binding sites (site I and site II bind either Na(+) or K(+); site III binds only Na(+)) are poorly understood. We studied cation selectivity by outward-facing sites (high K(+) affinity) of Na/K pumps expressed in Xenopus oocytes, under voltage clamp. Guanidinium(+), methylguanidinium(+), and aminoguanidinium(+) produced two phenomena possibly reflecting actions at site III: (i) voltage-dependent inhibition (VDI) of outwardly directed pump current at saturating K(+), and (ii) induction of pump-mediated, guanidinium-derivative-carried inward current at negative potentials without Na(+) and K(+). In contrast, formamidinium(+) and acetamidinium(+) induced K(+)-like outward currents. Measurement of ouabain-sensitive ATPase activity and radiolabeled cation uptake confirmed that these cations are external K(+) congeners. Molecular dynamics simulations indicate that bound organic cations induce minor distortion of the binding sites. Among tested metals, only Li(+) induced Na(+)-like VDI, whereas all metals tested except Na(+) induced K(+)-like outward currents. Pump-mediated K(+)-like organic cation transport challenges the concept of rigid structural models in which ion specificity at site I and site II arises from a precise and unique arrangement of coordinating ligands. Furthermore, actions by guanidinium(+) derivatives suggest that Na(+) binds to site III in a hydrated form and that the inward current observed without external Na(+) and K(+) represents cation transport when normal occlusion at sites I and II is impaired. These results provide insights on external ion selectivity at the three binding sites.

  8. Laser rapid forming technology of high-performance dense metal components with complex structure

    Science.gov (United States)

    Huang, Weidong; Chen, Jing; Li, Yanming; Lin, Xin

    2005-01-01

    Laser rapid forming (LRF) is a new and advanced manufacturing technology that has been developed on the basis of combining high power laser cladding technology with rapid prototyping (RP) to realize net shape forming of high performance dense metal components without dies. Recently we have developed a set of LRF equipment. LRF experiments were carried out on the equipment to investigate the influences of processing parameters on forming characterizations systematically with the cladding powder materials as titanium alloys, superalloys, stainless steel, and copper alloys. The microstructure of laser formed components is made up of columnar grains or columnar dendrites which grow epitaxially from the substrate since the solid components were prepared layer by layer additionally. The result of mechanical testing proved that the mechanical properties of laser formed samples are similar to or even over that of forging and much better than that of casting. It is shown in this paper that LRF technology is providing a new solution for some difficult processing problems in the high tech field of aviation, spaceflight and automobile industries.

  9. A new model for predicting thermodynamic properties of ternary metallic solution from binary components

    International Nuclear Information System (INIS)

    Fang Zheng; Zhang Quanru

    2006-01-01

    A model has been derived to predict thermodynamic properties of ternary metallic systems from those of its three binaries. In the model, the excess Gibbs free energies and the interaction parameter ω 123 for three components of a ternary are expressed as a simple sum of those of the three sub-binaries, and the mole fractions of the components of the ternary are identical with the sub-binaries. This model is greatly simplified compared with the current symmetrical and asymmetrical models. It is able to overcome some shortcomings of the current models, such as the arrangement of the components in the Gibbs triangle, the conversion of mole fractions between ternary and corresponding binaries, and some necessary processes for optimizing the various parameters of these models. Two ternary systems, Mg-Cu-Ni and Cd-Bi-Pb are recalculated to demonstrate the validity and precision of the present model. The calculated results on the Mg-Cu-Ni system are better than those in the literature. New parameters in the Margules equations expressing the excess Gibbs free energies of three binary systems of the Cd-Bi-Pb ternary system are also given

  10. Effects of long-term exposure to particulate matter and metal components on mortality in the Rome longitudinal study

    NARCIS (Netherlands)

    Badaloni, Chiara; Cesaroni, Giulia; Cerza, Francesco; Davoli, Marina; Brunekreef, Bert; Forastiere, Francesco

    2017-01-01

    BACKGROUND: The effect of long-term exposure to metal components in particulate matter on mortality are still controversial. OBJECTIVES: To study the association between long-term exposure to PM10, PM2.5, PM2.5 absorbance, particulate matter components (copper, iron, zinc, sulfur, silicon,

  11. The adenovirus E4 11 k protein binds and relocalizes the cytoplasmic P-body component Ddx6 to aggresomes

    International Nuclear Information System (INIS)

    Greer, Amy E.; Hearing, Patrick; Ketner, Gary

    2011-01-01

    The adenovirus E4 11 k protein, product of E4 ORF3, is required in infection for processes including normal accumulation of viral late mRNAs. 11 k restructures both the nucleus and cytoplasm of infected cells by relocalizing specific host cell target proteins, most strikingly components of nuclear PML oncogenic domains. It is likely that in many cases relocalization inactivates target proteins to produce 11 k's effects, although the mechanism and targets for stimulation of late mRNA accumulation is unknown. We have identified a new set of proteins relocalized by 11 k: at least five protein components of cytoplasmic mRNA processing bodies (p-bodies) are found in 11 k-induced cytoplasmic aggresomes, sites where proteins are inactivated or destroyed. One of these p-body proteins, RNA helicase Ddx6, binds 11 k, suggesting a mechanism for relocalization. Because p-bodies are sites for mRNA degradation, their modification by 11 k may provide an explanation for the role of 11 k in viral late mRNA accumulation.

  12. Early recognition of damage and course of damage on metal components

    International Nuclear Information System (INIS)

    1992-01-01

    In 1985, the German Research Association set up the programme 'Early recognition of damage and course of damage on metal components'. The concept worked out by a programme committee provided that scientifically secured bases for the understanding of the occurrence of damage, the prevention of damage, affecting damage, and the mechanism triggering damage, or cumulation of damage should be obtained. 36 individual projects costing 14 million DM were supported in the course of 6 years. The task of a test group was to find these projects from a far larger number of applications which promised an increase in knowledge in the sense of the target of the programme. For the final colloquium, the test group chose those contributions which had not previously been published to the wider technical public. (orig.) [de

  13. Process for the fixing of a metallic end piece on a tubular component

    International Nuclear Information System (INIS)

    Charpin, Jean.

    1975-01-01

    Under this invention the process makes it possible to joint a tubular component and in particular a tubular filter and an end piece, with a connection of great mechanical strength, perfectly leak proof and with excellent corrosion resistance, particularly with respect to fluorinated by-products. This process is therefore of great worth in fixing to a bearer a thin ceramic compound tubular filter element, since such a filter can be used in particular for the separation of uranium isotopes by gaseous diffusion and for the separation of hydrocarbons in petrochemicals. To this end, the process under consideration is characterised in that it consists in depositing a layer of ceramic material, by hot projection, at the end of the tubular element and in sealing the end piece to the end of the tubular element by the hot projection of a ceramic or metallic substance [fr

  14. Effect of component substitution on the atomic dynamics in glass-forming binary metallic melts

    Science.gov (United States)

    Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Evenson, Z.; Hansen, T. C.; Meyer, A.

    2017-08-01

    We investigate the substitution of early transition metals (Zr, Hf, and Nb) in Ni-based binary glass-forming metallic melts and the impact on structural and dynamical properties by using a combination of neutron scattering, electrostatic levitation (ESL), and isotopic substitution. The self-diffusion coefficients measured by quasielastic neutron scattering (QENS) identify a sluggish diffusion as well as an increased activation energy by almost a factor of 2 for Hf35Ni65 compared to Zr36Ni64 . This finding can be explained by the locally higher packing density of Hf atoms in Hf35Ni65 compared to Zr atoms in Zr36Ni64 , which has been derived from interatomic distances by analyzing the measured partial structure factors. Furthermore, QENS measurements of liquid Hf35Ni65 prepared with 60Ni , which has a vanishing incoherent scattering cross section, have demonstrated that self-diffusion of Hf is slowed down compared to the concentration weighted self-diffusion of Hf and Ni. This implies a dynamical decoupling between larger Hf and smaller Ni atoms, which can be related to a saturation effect of unequal atomic nearest-neighbor pairs, that was observed recently for Ni-rich compositions in Zr-Ni metallic melts. In order to establish a structure-dynamics relation, measured partial structure factors have been used as an input for mode-coupling theory (MCT) of the glass transition to calculate self-diffusion coefficients for the different atomic components. Remarkably, MCT can reproduce the increased activation energy for Hf35Ni65 as well as the dynamical decoupling between Hf and Ni atoms.

  15. Hydrogen transport behavior of metal coatings for plasma-facing components

    Energy Technology Data Exchange (ETDEWEB)

    Anderl, R.A.; Holland, D.F.; Longhurst, G.R. (Idaho National Engineering Lab., Idaho Falls (USA))

    1990-12-01

    Plasma-facing components for experimental and commercial fusion reactor studies may include cladding or coatings of refractory metals like tungsten on metallic structural substrates such as copper, vanadium alloys and austenitic stainless steel. Issues of safety and fuel economy include the potential for inventory buildup and permeation of tritium implanted into the plasma-facing surface. This paper reports on laboratory-scale studies with 3 keV D{sub 3}{sup +} ion beams to investigate the hydrogen transport behavior in tungsten coatings on substrates of copper. These experiments entailed measurements of the deuterium re-emission and permeation rates of tungsten, copper, and tungsten-coated copper specimens at temperatures ranging from 638 to 825 K and implanting particle fluxes of approximately 5x10{sup 19} D/m{sup 2} s. Diffusion constants and surface recombination coefficients with enhancement factors due to sputtering were obtained from these measurements. These data may be used in calculations to estimate permeation rates and inventory buildups for proposed diverter designs. (orig.).

  16. Hydrogen transport behavior of metal coatings for plasma-facing components

    Science.gov (United States)

    Anderl, R. A.; Holland, D. F.; Longhurst, G. R.

    1990-12-01

    Plasma-facing components for experimental and commercial fusion reactor studies may include cladding or coatings of refractory metals like tungsten on metallic structural substrates such as copper, vanadium alloys and austenitic stainless steel. Issues of safety and fuel economy include the potential for inventory buildup and permeation of tritium implanted into the plasma-facing surface. This paper reports on laboratory-scale studies with 3 keV D +3 ion beams to investigate the hydrogen transport behavior in tungsten coatings on substrates of copper. These experiments entailed measurements of the deuterium re-emission and permeation rates for tungsten, copper, and tungsten-coated copper specimens at temperatures ranging from 638 to 825 K and implanting particle fluxes of approximately 5 × 10 19 D/m 2 s. Diffusion constants and surface recombination coefficients with enhancement factors due to sputtering were obtained from these measurements. These data may be used in calculations to estimate permeation rates and inventory buildups for proposed diverter designs.

  17. Magnetic Flux Leakage and Principal Component Analysis for metal loss approximation in a pipeline

    International Nuclear Information System (INIS)

    Ruiz, M; Mujica, L E; Quintero, M; Florez, J; Quintero, S

    2015-01-01

    Safety and reliability of hydrocarbon transportation pipelines represent a critical aspect for the Oil an Gas industry. Pipeline failures caused by corrosion, external agents, among others, can develop leaks or even rupture, which can negatively impact on population, natural environment, infrastructure and economy. It is imperative to have accurate inspection tools traveling through the pipeline to diagnose the integrity. In this way, over the last few years, different techniques under the concept of structural health monitoring (SHM) have continuously been in development.This work is based on a hybrid methodology that combines the Magnetic Flux Leakage (MFL) and Principal Components Analysis (PCA) approaches. The MFL technique induces a magnetic field in the pipeline's walls. The data are recorded by sensors measuring leakage magnetic field in segments with loss of metal, such as cracking, corrosion, among others. The data provide information of a pipeline with 15 years of operation approximately, which transports gas, has a diameter of 20 inches and a total length of 110 km (with several changes in the topography). On the other hand, PCA is a well-known technique that compresses the information and extracts the most relevant information facilitating the detection of damage in several structures. At this point, the goal of this work is to detect and localize critical loss of metal of a pipeline that are currently working. (paper)

  18. Heavy metals in the ecosystem components at 'Degelen' testing ground of the former Semipalatinsk test site

    International Nuclear Information System (INIS)

    Yankauskas, A.B.; Lukashenko, S.N.; Amirov, A.A.; Govenko, P.V.

    2012-01-01

    The ecological situation in the former Semipalatinsk test site is characterized by a combination of both radiative and nonradiative factors. There were investigated near-portal areas of the tunnels with water seepage at 'Degelen' site. All the tunnel waters are characterized by higher concentrations of uranium, beryllium, and molybdenum. The watercourse of the tunnel number 504 is unique for its elemental composition, in particular, the content of rare earth elements, whose concentration in the water is in the range n*10 -5 -n*10 -7 %. Of all the rare earth elements in the samples were found 13, the concentrations of aluminum, manganese, zinc are comparable to the concentrations of macro-components. Concentration of 238 U in the studied waters lie in the range of n*10 -4 - n*10 -6 %, which suggests the influence of uranium, not only as a toxic element, but its significance as the radiation factor. The analysis of complex data obtained showed that the elevated concentrations of heavy metals in the soils of the areas under study, as a rule, are a consequence of the carry-over of these metals by water flows and their subsequent deposition in the sediments. (authors)

  19. Magnetic Flux Leakage and Principal Component Analysis for metal loss approximation in a pipeline

    Science.gov (United States)

    Ruiz, M.; Mujica, L. E.; Quintero, M.; Florez, J.; Quintero, S.

    2015-07-01

    Safety and reliability of hydrocarbon transportation pipelines represent a critical aspect for the Oil an Gas industry. Pipeline failures caused by corrosion, external agents, among others, can develop leaks or even rupture, which can negatively impact on population, natural environment, infrastructure and economy. It is imperative to have accurate inspection tools traveling through the pipeline to diagnose the integrity. In this way, over the last few years, different techniques under the concept of structural health monitoring (SHM) have continuously been in development. This work is based on a hybrid methodology that combines the Magnetic Flux Leakage (MFL) and Principal Components Analysis (PCA) approaches. The MFL technique induces a magnetic field in the pipeline's walls. The data are recorded by sensors measuring leakage magnetic field in segments with loss of metal, such as cracking, corrosion, among others. The data provide information of a pipeline with 15 years of operation approximately, which transports gas, has a diameter of 20 inches and a total length of 110 km (with several changes in the topography). On the other hand, PCA is a well-known technique that compresses the information and extracts the most relevant information facilitating the detection of damage in several structures. At this point, the goal of this work is to detect and localize critical loss of metal of a pipeline that are currently working.

  20. Structural characterization of biomedical Co–Cr–Mo components produced by direct metal laser sintering

    International Nuclear Information System (INIS)

    Barucca, G.; Santecchia, E.; Majni, G.; Girardin, E.; Bassoli, E.; Denti, L.; Gatto, A.; Iuliano, L.; Moskalewicz, T.; Mengucci, P.

    2015-01-01

    Direct metal laser sintering (DMLS) is a technique to manufacture complex functional mechanical parts from a computer-aided design (CAD) model. Usually, the mechanical components produced by this procedure show higher residual porosity and poorer mechanical properties than those obtained by conventional manufacturing techniques. In this work, a Co–Cr–Mo alloy produced by DMLS with a composition suitable for biomedical applications was submitted to hardness measurements and structural characterization. The alloy showed a hardness value remarkably higher than those commonly obtained for the same cast or wrought alloys. In order to clarify the origin of this unexpected result, the sample microstructure was investigated by X-ray diffraction (XRD), electron microscopy (SEM and TEM) and energy dispersive microanalysis (EDX). For the first time, a homogeneous microstructure comprised of an intricate network of thin ε (hcp)-lamellae distributed inside a γ (fcc) phase was observed. The ε-lamellae grown on the {111} γ planes limit the dislocation slip inside the γ (fcc) phase, causing the measured hardness increase. The results suggest possible innovative applications of the DMLS technique to the production of mechanical parts in the medical and dental fields. - Highlights: • Samples of a Co–Cr–Mo biomedical alloy were produced by direct metal laser sintering. • Hardness values unexpectedly high were attributed to a peculiar microstructure. • Fine lamellae of the ε-phase alternated to the γ-phase were observed for the first time. • A nucleation and growth model for the observed microstructure is proposed

  1. Structural characterization of biomedical Co–Cr–Mo components produced by direct metal laser sintering

    Energy Technology Data Exchange (ETDEWEB)

    Barucca, G., E-mail: g.barucca@univpm.it [SIMAU, Università Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); Santecchia, E.; Majni, G. [SIMAU, Università Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); Girardin, E. [DISCO, Università Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy); Bassoli, E.; Denti, L.; Gatto, A. [DIMeC, University of Modena and Reggio Emilia, via Vignolese 905/B, Modena 41125 (Italy); Iuliano, L. [DISPEA, Politecnico di Torino, C.so Duca degli Abruzzi 24, 10129 Torino (Italy); Moskalewicz, T. [Faculty of Metals Engineering and Industrial Computer Science, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Kraków (Poland); Mengucci, P. [SIMAU, Università Politecnica delle Marche, via Brecce Bianche, 60131 Ancona (Italy)

    2015-03-01

    Direct metal laser sintering (DMLS) is a technique to manufacture complex functional mechanical parts from a computer-aided design (CAD) model. Usually, the mechanical components produced by this procedure show higher residual porosity and poorer mechanical properties than those obtained by conventional manufacturing techniques. In this work, a Co–Cr–Mo alloy produced by DMLS with a composition suitable for biomedical applications was submitted to hardness measurements and structural characterization. The alloy showed a hardness value remarkably higher than those commonly obtained for the same cast or wrought alloys. In order to clarify the origin of this unexpected result, the sample microstructure was investigated by X-ray diffraction (XRD), electron microscopy (SEM and TEM) and energy dispersive microanalysis (EDX). For the first time, a homogeneous microstructure comprised of an intricate network of thin ε (hcp)-lamellae distributed inside a γ (fcc) phase was observed. The ε-lamellae grown on the {111}{sub γ} planes limit the dislocation slip inside the γ (fcc) phase, causing the measured hardness increase. The results suggest possible innovative applications of the DMLS technique to the production of mechanical parts in the medical and dental fields. - Highlights: • Samples of a Co–Cr–Mo biomedical alloy were produced by direct metal laser sintering. • Hardness values unexpectedly high were attributed to a peculiar microstructure. • Fine lamellae of the ε-phase alternated to the γ-phase were observed for the first time. • A nucleation and growth model for the observed microstructure is proposed.

  2. Enhanced binding affinity, remarkable selectivity, and high capacity of CO 2 by dual functionalization of a rht-type metal-organic framework

    KAUST Repository

    Li, Baiyan; Zhang, Zhijuan; Li, Yi; Yao, Kexin; Zhu, Yihan; Deng, Zhiyong; Yang, Fen; Zhou, Xiaojing; Li, Guanghua; Wu, Haohan; Nijem, Nour; Chabal, Yves Jean; Lai, Zhiping; Han, Yu; Shi, Zhan; Feng, Shouhua; Li, Jing

    2011-01-01

    Open and friendly: The smallest member of the rht-type metal-organic frameworks (MOFs, see picture) constructed by a hexacarboxylate ligand with a nitrogen-rich imino triazine backbone shows a significantly enhanced gas binding affinity relative

  3. Effects of mutagenesis of aspartic acid residues in the putative phosphoribosyl diphosphate binding site of Escherichia coli phosphoribosyl diphosphate synthetase on metal ion specificity and ribose-5-phosphate binding

    DEFF Research Database (Denmark)

    Willemoës, Martin; Nilsson, Dan; Hove-Jensen, Bjarne

    1996-01-01

    The three conserved aspartic acid residues of the 5-phospho-d-ribosyl a-1-diphosphate binding site (213-GRDCVLVDDMIDTGGT-228) of Escherichia coli phosphoribosyl diphosphate synthetase were studied by analysis of the mutant enzymes D220E, D220F, D221A, D224A, and D224S. The mutant enzymes showed...... enzymes were dependent on the metal ion present, suggesting a function of the investigated aspartic acid residues both in the binding of ribose 5-phosphate, possibly via a divalent metal ion, and in the interaction with a divalent metal ion during catalysis....

  4. Binding of Helium to Metallic Impurities in Tungsten; Experiments and Computer Simulations

    NARCIS (Netherlands)

    Kolk, G.J. van der; Veen, A. van; Caspers, L.M.; Hosson, J.Th.M. de

    1985-01-01

    A W(100) single crystal was implanted with low doses Ag, Cu, Mn, Cr, Al or In. Subsequent heating to 1600 K removed all vacancies and left the implants in substitutional positions. Low energy He was injected, and binding of He to the substitutional impurities was observed. Binding energies were

  5. Advances in model-based software for simulating ultrasonic immersion inspections of metal components

    Science.gov (United States)

    Chiou, Chien-Ping; Margetan, Frank J.; Taylor, Jared L.; Engle, Brady J.; Roberts, Ronald A.

    2018-04-01

    Under the sponsorship of the National Science Foundation's Industry/University Cooperative Research Center at ISU, an effort was initiated in 2015 to repackage existing research-grade software into user-friendly tools for the rapid estimation of signal-to-noise ratio (SNR) for ultrasonic inspections of metals. The software combines: (1) a Python-based graphical user interface for specifying an inspection scenario and displaying results; and (2) a Fortran-based engine for computing defect signals and backscattered grain noise characteristics. The later makes use the Thompson-Gray measurement model for the response from an internal defect, and the Thompson-Margetan independent scatterer model for backscattered grain noise. This paper, the third in the series [1-2], provides an overview of the ongoing modeling effort with emphasis on recent developments. These include the ability to: (1) treat microstructures where grain size, shape and tilt relative to the incident sound direction can all vary with depth; and (2) simulate C-scans of defect signals in the presence of backscattered grain noise. The simulation software can now treat both normal and oblique-incidence immersion inspections of curved metal components. Both longitudinal and shear-wave inspections are treated. The model transducer can either be planar, spherically-focused, or bi-cylindrically-focused. A calibration (or reference) signal is required and is used to deduce the measurement system efficiency function. This can be "invented" by the software using center frequency and bandwidth information specified by the user, or, alternatively, a measured calibration signal can be used. Defect types include flat-bottomed-hole reference reflectors, and spherical pores and inclusions. Simulation outputs include estimated defect signal amplitudes, root-mean-square values of grain noise amplitudes, and SNR as functions of the depth of the defect within the metal component. At any particular depth, the user can view

  6. Binding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions

    Science.gov (United States)

    Patil, Amit; Lande, Dipali N.; Nalkar, Archana; Gejji, Shridhar P.; Chakrovorty, Debamitra; Gonnade, Rajesh; Moniz, Tânia; Rangel, Maria; Pereira, Eulália; Salunke-Gawali, Sunita

    2017-09-01

    The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl)methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of Nsbnd H⋯O, Csbnd H⋯O, Csbnd H⋯π and π⋯π interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and 1H NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible.

  7. Residues essential for Panton-Valentine leukocidin S component binding to its cell receptor suggest both plasticity and adaptability in its interaction surface.

    Directory of Open Access Journals (Sweden)

    Benoit-Joseph Laventie

    Full Text Available Panton-Valentine leukocidin (PVL, a bicomponent staphylococcal leukotoxin, is involved in the poor prognosis of necrotizing pneumonia. The present study aimed to elucidate the binding mechanism of PVL and in particular its cell-binding domain. The class S component of PVL, LukS-PV, is known to ensure cell targeting and exhibits the highest affinity for the neutrophil membrane (Kd∼10(-10 M compared to the class F component of PVL, LukF-PV (Kd∼10(-9 M. Alanine scanning mutagenesis was used to identify the residues involved in LukS-PV binding to the neutrophil surface. Nineteen single alanine mutations were performed in the rim domain previously described as implicated in cell membrane interactions. Positions were chosen in order to replace polar or exposed charged residues and according to conservation between leukotoxin class S components. Characterization studies enabled to identify a cluster of residues essential for LukS-PV binding, localized on two loops of the rim domain. The mutations R73A, Y184A, T244A, H245A and Y250A led to dramatically reduced binding affinities for both human leukocytes and undifferentiated U937 cells expressing the C5a receptor. The three-dimensional structure of five of the mutants was determined using X-ray crystallography. Structure analysis identified residues Y184 and Y250 as crucial in providing structural flexibility in the receptor-binding domain of LukS-PV.

  8. Interactions between Metal-binding Domains Modulate Intracellular Targeting of Cu(I)-ATPase ATP7B, as Revealed by Nanobody Binding*

    Science.gov (United States)

    Huang, Yiping; Nokhrin, Sergiy; Hassanzadeh-Ghassabeh, Gholamreza; Yu, Corey H.; Yang, Haojun; Barry, Amanda N.; Tonelli, Marco; Markley, John L.; Muyldermans, Serge; Dmitriev, Oleg Y.; Lutsenko, Svetlana

    2014-01-01

    The biologically and clinically important membrane transporters are challenging proteins to study because of their low level of expression, multidomain structure, and complex molecular dynamics that underlies their activity. ATP7B is a copper transporter that traffics between the intracellular compartments in response to copper elevation. The N-terminal domain of ATP7B (N-ATP7B) is involved in binding copper, but the role of this domain in trafficking is controversial. To clarify the role of N-ATP7B, we generated nanobodies that interact with ATP7B in vitro and in cells. In solution NMR studies, nanobodies revealed the spatial organization of N-ATP7B by detecting transient functionally relevant interactions between metal-binding domains 1–3. Modulation of these interactions by nanobodies in cells enhanced relocalization of the endogenous ATP7B toward the plasma membrane linking molecular and cellular dynamics of the transporter. Stimulation of ATP7B trafficking by nanobodies in the absence of elevated copper provides direct evidence for the important role of N-ATP7B structural dynamics in regulation of ATP7B localization in a cell. PMID:25253690

  9. Soil-modified carbon paste electrode: a useful tool in environmental assessment of heavy metal ion binding interactions.

    Science.gov (United States)

    Svegl, I G; Ogorevc, B

    2000-08-01

    Carbon paste electrodes (CPEs) modified with different soils in their native form were prepared to create a soil-like solid phase suitable for application in studies of heavy metal ion uptake and binding interactions. The preparation of CPEs modified with five different soils was examined and their heavy metal ion uptake behavior investigated using a model Cu(II) aqueous solution. Metal ions were accumulated under open circuit conditions and were determined after a medium exchange using differential pulse anodic stripping voltammetry, applying preelectrolysis at -0.7 V. The soil-modified CPE accumulation behavior, including the linearity of the current response versus Cu(II) concentration, the influence of the pH on the solution, and the uptake kinetics, was thoroughly investigated. The correlation between the soil-modified CPE uptake capability and the standard soil parameters, such as ion exchange capacity, soil pH, organic matter and clay content, were evaluated for all five examined soils. The influence of selected endogenous cations (K(I), Ca(II), Fe(III)) on the transfer of Cu(II) ions from a solution to the simulated soil solid phase was examined and is discussed. Preliminary examinations of the soil-modified CPE uptake behavior with some exogenous heavy metal ions of strong environmental interest (Pb(II), Hg(II), Cd(II) and Ag(I)) are also presented. This work demonstrates some attractive possibilities for the application of a soil-modified CPE in studying soil-heavy metal ion binding interactions, with a further potential use as a new environmental sensor appropriate for fist on-site testing of polluted soils.

  10. Binding of complement proteins C1q and C4bp to serum amyloid P component (SAP) in solid contra liquid phase

    DEFF Research Database (Denmark)

    Sørensen, Inge Juul; Nielsen, EH; Andersen, Ove

    1996-01-01

    Serum amyloid P component (SAP), a member of the conserved pentraxin family of plasma proteins, binds calcium dependently to its ligands. The authors investigated SAPs interaction with the complement proteins C4b binding protein (C4bp) and C1q by ELISA, immunoelectrophoresis and electron microscopy....... Binding of these proteins to SAP was demonstrated when SAP was immobilized using F(ab')2 anti-SAP, but not when SAP reacted with these proteins in liquid phase; thus the binding to human SAP was markedly phase state dependent. Presaturation of solid phase SAP with heparin, which binds SAP with high...... affinity, did not interfere with the subsequent binding of C4bp or C1q to SAP. In contrast, collagen I and IV showed partial competition with the binding of C1q to SAP. Using fresh serum, immobilized native SAP bound C4bp whereas binding of C1q/C1 could not be demonstrated. Altogether the results indicate...

  11. Systems and Methods for Implementing Bulk Metallic Glass-Based Strain Wave Gears and Strain Wave Gear Components

    Science.gov (United States)

    Hofmann, Douglas C. (Inventor); Wilcox, Brian (Inventor)

    2016-01-01

    Bulk metallic glass-based strain wave gears and strain wave gear components. In one embodiment, a strain wave gear includes: a wave generator; a flexspline that itself includes a first set of gear teeth; and a circular spline that itself includes a second set of gear teeth; where at least one of the wave generator, the flexspline, and the circular spline, includes a bulk metallic glass-based material.

  12. Borrelia burgdorferi outer surface protein C (OspC) binds complement component C4b and confers bloodstream survival.

    Science.gov (United States)

    Caine, Jennifer A; Lin, Yi-Pin; Kessler, Julie R; Sato, Hiromi; Leong, John M; Coburn, Jenifer

    2017-12-01

    Borrelia burgdorferi (Bb) is the causative agent of Lyme disease in the United States, a disease that can result in carditis, and chronic and debilitating arthritis and/or neurologic symptoms if left untreated. Bb survives in the midgut of the Ixodes scapularis tick, or within tissues of immunocompetent hosts. In the early stages of infection, the bacteria are present in the bloodstream where they must resist clearance by the innate immune system of the host. We have found a novel role for outer surface protein C (OspC) from B. burgdorferi and B. garinii in interactions with the complement component C4b and bloodstream survival in vivo. Our data show that OspC inhibits the classical and lectin complement pathways and competes with complement protein C2 for C4b binding. Resistance to complement is important for maintenance of the lifecycle of Bb, enabling survival of the pathogen within the host as well as in the midgut of a feeding tick when ospC expression is induced. © 2017 John Wiley & Sons Ltd.

  13. Binding of carbon dioxide to metal macrocycles: Toward a mechanistic understanding of electrochemical and photochemical carbon dioxide reduction

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, E.

    1993-01-01

    Efforts were made to find effective catalysts for photochemical and electrochemical reduction of CO[sub 2]. We are studying the factors controlling excited-state lifetimes, electron-transfer rates to mediators/catalysts, properties of reduced mediators, binding of small molecules to reduced mediators, and reactivity of the mediators to yield the desired products. This document describes some of the results of binding on CO[sub 2] to metal macrocycles. The electrocatalytic activity of cobalt macrocycle complexes in reduction of CO[sub 2] in CO[sub 2]-saturated water at the Hg electrode is being studied. We are ready to study the mechanism and kinetics of the photochemical CO[sub 2] reduction in order to design more efficient photo-energy conversion systems. 19 refs.

  14. Binding of carbon dioxide to metal macrocycles: Toward a mechanistic understanding of electrochemical and photochemical carbon dioxide reduction

    Energy Technology Data Exchange (ETDEWEB)

    Fujita, E.

    1993-07-01

    Efforts were made to find effective catalysts for photochemical and electrochemical reduction of CO{sub 2}. We are studying the factors controlling excited-state lifetimes, electron-transfer rates to mediators/catalysts, properties of reduced mediators, binding of small molecules to reduced mediators, and reactivity of the mediators to yield the desired products. This document describes some of the results of binding on CO{sub 2} to metal macrocycles. The electrocatalytic activity of cobalt macrocycle complexes in reduction of CO{sub 2} in CO{sub 2}-saturated water at the Hg electrode is being studied. We are ready to study the mechanism and kinetics of the photochemical CO{sub 2} reduction in order to design more efficient photo-energy conversion systems. 19 refs.

  15. Lysozyme binding ability toward psychoactive stimulant drugs: Modulatory effect of colloidal metal nanoparticles.

    Science.gov (United States)

    Sonu, Vikash K; Islam, Mullah Muhaiminul; Rohman, Mostofa Ataur; Mitra, Sivaprasad

    2016-10-01

    The interaction and binding behavior of the well-known psychoactive stimulant drugs theophylline (THP) and theobromine (THB) with lysozyme (LYS) was monitored by in-vitro fluorescence titration and molecular docking calculations under physiological condition. The quenching of protein fluorescence on addition of the drugs is due to the formation of protein-drug complex in the ground state in both the cases. However, the binding interaction is almost three orders of magnitude stronger in THP, which involves mostly hydrogen bonding interaction in comparison with THB where hydrophobic binding plays the predominant role. The mechanism of fluorescence quenching (static type) remains same also in presence of gold and silver nanoparticles (NPs); however, the binding capacity of LYS with the drugs changes drastically in comparison with that in aqueous buffer medium. While the binding affinity of LYS to THB increases ca. 100 times in presence of both the NPs, it is seen to decrease drastically (by almost 1000 fold) for THP. This significant modulation in binding behavior indicates that the drug transportation capacity of LYS can be controlled significantly with the formation protein-NP noncovalent assembly system as an efficient delivery channel. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. Assessment of the Binding of Protons, Al and Fe to Biochar at Different pH Values and Soluble Metal Concentrations

    Directory of Open Access Journals (Sweden)

    Tan Dang

    2018-01-01

    Full Text Available Biochar can retain large amounts of protons and metals in the drainage water from acid sulfate soils and mine sites. Metal sorption can, however, be influenced by many factors, such as pH and metal composition. This study investigated proton, Al, and Fe retention capacity of eucalyptus biochar (1% w/v at different pH and metal concentrations. In the absence of metals, the biochar had a high proton binding capacity, (up to 0.035 mmol of H+, whereas its capacity to retain hydroxide ions was limited. A batch experiment was carried out at pH 4 and pH 7 with 10−6, 10−5, 10−4, 10−3, and 10−2 M of added Fe or Al. Added metals precipitated considerably prior to addition of the biochar except that Al remained highly soluble at pH 4. The biochar had a high retention capacity for Al and Fe; at high (>1 mM concentrations, over 80% of soluble metals were retained. Metal competition for binding sites of both Al and Fe at different ratios was investigated, but increasing concentrations of one metal did not reduce retention of the other. The results confirmed that biochar has high metal binding capacity under both acidic and neutral conditions.

  17. A Pyoverdin Siderophore Produced By Pseudomonas aeruginosa CHL-004 Binds Lead And Other Heavy Metals

    Science.gov (United States)

    Heavy metal pollution in soils, sediments and wastewater poses a significant environmental and public health threat due to toxicity and the potential for bioaccumulation in both plant and animal tissues. Remediation of heavy metals in soils and sediments using solely physical or...

  18. A Pyoverdin Siderophore Produced By Pseudomonas aeruginosa CHL-004 Binds Lead And Other Heavy Metals - (Poster)

    Science.gov (United States)

    Heavy metal pollution in soils, sediments and wastewater poses a significant environmental and public health threat due to toxicity and the potential for bioaccumulation in both plant and animal tissues. Remediation of heavy metals in soils and sediments using solely physical or...

  19. Evaluation of metal matrix composite to replace spheroidal graphite iron for a critical component, steering knuckle

    International Nuclear Information System (INIS)

    Vijayarangan, S.; Rajamanickam, N.; Sivananth, V.

    2013-01-01

    Highlights: ► A FE model is developed to study the suitability of MMC for steering knuckle. ► Structural analysis of steering knuckle is carried out for 12 load cases. ► The cross section of the critical region is optimized using genetic algorithm. ► The life of the MMC (Al-10 wt.% TiC) knuckle is compared before and after optimization. ► MMC material could replace SG iron for automotive steering knuckle. -- Abstract: Steering knuckle is considered as one of the critical component in automotive suspension system. It is subjected to time varying loads during its service life, leading to fatigue failure. Therefore, its design is an important aspect in the product development cycle. Currently, spheroidal graphite (SG) iron is widely used to manufacture steering knuckle in the commercial automobile sector. It has been observed from the knuckle manufacturers that advanced materials and weight reduction are the real need for the current automobile industry. Due to their high strength to weight ratio, Metal Matrix Composites (MMCs) have the potential to meet the demanded design requirements of the automotive industry, compared to conventional materials. In this work, an aluminum alloy reinforced with titanium carbide particulate is suggested as an alternate material in place of existing SG iron. Structural analysis of steering knuckle made of alternate material Al-10 wt.% TiC was performed using commercial code ANSYS. The results of steering knuckle made of MMC (Al-10 wt.% TiC) were compared with that of aluminum alloy and SG iron steering knuckles for its performance based on real time load cases. It is found from this analysis, the knuckle strut region has maximum stress and deflection during its life time. The critical strut region cross section area of knuckle was analyzed and geometrically optimized for minimum bending stress and deflection using genetic algorithm available in MatLab. Since, the knuckle experiences time varying loads, fatigue analysis also

  20. In vitro receptor autoradiography reveals angiotensin IL (ANG II) binding associated with sensory and motor components of the vagus

    International Nuclear Information System (INIS)

    Diz, D.I.; Barnes, K.L.; Ferrario, C.M.

    1986-01-01

    Specific, high affinity Ang II binding in the dog's dorsal medulla is concentrated in the area postrema, nucleus tractus solitarii (nTS) and dorsal motor nucleus of the vagus (dmnX). More recently Ang II binding sites were observed where bundles of vagal afferent fibers enter the dorsal medulla 6 mm rostral to obex and in the nodose ganglia and peripheral vagal nerves. Since Ang II binding in the nTS and dmnX overlies the distribution of vagal afferent fibers and efferent neurons, the effects of nodose ganglionectomy and cervical vagotomy on Ang II binding in the dorsal medulla were studied in rats and dogs using autoradiography after incubation of 14 μm coronal sections with 0.4 nM 125 I-Ang II. Nonspecific binding was determined in the presence of 1 μm unlabeled Ang II. Two weeks after unilateral nodose ganglionectomy Ang II binding sites were absent ipsilaterally in the region where vagal afferent fibers enter the dorsal medulla. In the nTS and dmnX, binding near obex was reduced, while more rostrally these nuclei were almost completely devoid of Ang II binding on the denervated side. After cervical vagotomy, the loss of binding was restricted to the ipsilateral dmnX. These data are the first to reveal that Ang II binding in the dorsal medulla requires an intact vagal system

  1. Impact of metal binding on the antitumor activity and cellular imaging of a metal chelator cationic imidazopyridine derivative.

    Science.gov (United States)

    Roy, Mithun; Chakravarthi, Balabhadrapatruni V S K; Jayabaskaran, Chelliah; Karande, Anjali A; Chakravarty, Akhil R

    2011-05-14

    A new water soluble cationic imidazopyridine species, viz. (1E)-1-((pyridin-2-yl)methyleneamino)-3-(3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2(3H)-yl)propan-2-ol (1), as a metal chelator is prepared as its PF(6) salt and characterized. Compound 1 shows fluorescence at 438 nm on excitation at 342 nm in Tris-HCl buffer giving a fluorescence quantum yield (φ) of 0.105 and a life-time of 5.4 ns. Compound 1, as an avid DNA minor groove binder, shows pUC19 DNA cleavage activity in UV-A light of 365 nm forming singlet oxygen species in a type-II pathway. The photonuclease potential of 1 gets enhanced in the presence of Fe(2+), Cu(2+) or Zn(2+). Compound 1 itself displays anticancer activity in HeLa, HepG2 and Jurkat cells with an enhancement on addition of the metal ions. Photodynamic effect of 1 at 365 nm also gets enhanced in the presence of Fe(2+) and Zn(2+). Fluorescence-based cell cycle analysis shows a significant dead cell population in the sub-G1 phase of the cell cycle suggesting apoptosis via ROS generation. A significant change in the nuclear morphology is observed from Hoechst 33258 and an acridine orange/ethidium bromide (AO/EB) dual nuclear staining suggesting apoptosis in cells when treated with 1 alone or in the presence of the metal ions. Apoptosis is found to be caspase-dependent. Fluorescence imaging to monitor the distribution of 1 in cells shows that 1 in the presence of metal ions accumulates predominantly in the cytoplasm. Enhanced uptake of 1 into the cells within 12 h is observed in the presence of Fe(2+) and Zn(2+).

  2. Core-level spectra and binding energies of transition metal nitrides by non-destructive x-ray photoelectron spectroscopy through capping layers

    International Nuclear Information System (INIS)

    Greczynski, G.; Primetzhofer, D.; Lu, J.; Hultman, L.

    2017-01-01

    Highlights: • First non-destructive measurements of XPS core level binding energies for group IVb-VIb transition metal nitrides are presented. • All films are grown under the same conditions and analyzed in the same instrument, providing a useful reference for future XPS studies. • Extracted core level BE values are more reliable than those obtained from sputter-cleaned N-deficient surfaces. • Comparison to Ar+-etched surfaces reveals that even mild etching conditions result in the formation of a nitrogen-deficient surface layer. • The N/metal concentration ratios from capped samples are found to be 25-90% higher than those from the corresponding ion-etched surfaces. - Abstract: We present the first measurements of x-ray photoelectron spectroscopy (XPS) core level binding energies (BE:s) for the widely-applicable group IVb-VIb polycrystalline transition metal nitrides (TMN’s) TiN, VN, CrN, ZrN, NbN, MoN, HfN, TaN, and WN as well as AlN and SiN, which are common components in the TMN-based alloy systems. Nitride thin film samples were grown at 400 °C by reactive dc magnetron sputtering from elemental targets in Ar/N 2 atmosphere. For XPS measurements, layers are either (i) Ar + ion-etched to remove surface oxides resulting from the air exposure during sample transfer from the growth chamber into the XPS system, or (ii) in situ capped with a few nm thick Cr or W overlayers in the deposition system prior to air-exposure and loading into the XPS instrument. Film elemental composition and phase content is thoroughly characterized with time-of-flight elastic recoil detection analysis (ToF-E ERDA), Rutherford backscattering spectrometry (RBS), and x-ray diffraction. High energy resolution core level XPS spectra acquired with monochromatic Al Kα radiation on the ISO-calibrated instrument reveal that even mild etching conditions result in the formation of a nitrogen-deficient surface layer that substantially affects the extracted binding energy values. These

  3. Core-level spectra and binding energies of transition metal nitrides by non-destructive x-ray photoelectron spectroscopy through capping layers

    Energy Technology Data Exchange (ETDEWEB)

    Greczynski, G., E-mail: grzgr@ifm.liu.se [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping (Sweden); Primetzhofer, D. [Department of Physics and Astronomy, The Ångström Laboratory, Uppsala University, P.O. Box 516, SE-751 20 Uppsala (Sweden); Lu, J.; Hultman, L. [Thin Film Physics Division, Department of Physics (IFM), Linköping University, SE-581 83 Linköping (Sweden)

    2017-02-28

    Highlights: • First non-destructive measurements of XPS core level binding energies for group IVb-VIb transition metal nitrides are presented. • All films are grown under the same conditions and analyzed in the same instrument, providing a useful reference for future XPS studies. • Extracted core level BE values are more reliable than those obtained from sputter-cleaned N-deficient surfaces. • Comparison to Ar+-etched surfaces reveals that even mild etching conditions result in the formation of a nitrogen-deficient surface layer. • The N/metal concentration ratios from capped samples are found to be 25-90% higher than those from the corresponding ion-etched surfaces. - Abstract: We present the first measurements of x-ray photoelectron spectroscopy (XPS) core level binding energies (BE:s) for the widely-applicable group IVb-VIb polycrystalline transition metal nitrides (TMN’s) TiN, VN, CrN, ZrN, NbN, MoN, HfN, TaN, and WN as well as AlN and SiN, which are common components in the TMN-based alloy systems. Nitride thin film samples were grown at 400 °C by reactive dc magnetron sputtering from elemental targets in Ar/N{sub 2} atmosphere. For XPS measurements, layers are either (i) Ar{sup +} ion-etched to remove surface oxides resulting from the air exposure during sample transfer from the growth chamber into the XPS system, or (ii) in situ capped with a few nm thick Cr or W overlayers in the deposition system prior to air-exposure and loading into the XPS instrument. Film elemental composition and phase content is thoroughly characterized with time-of-flight elastic recoil detection analysis (ToF-E ERDA), Rutherford backscattering spectrometry (RBS), and x-ray diffraction. High energy resolution core level XPS spectra acquired with monochromatic Al Kα radiation on the ISO-calibrated instrument reveal that even mild etching conditions result in the formation of a nitrogen-deficient surface layer that substantially affects the extracted binding energy

  4. Surface engineering glass-metal coatings designed for induction heating of ceramic components

    International Nuclear Information System (INIS)

    Khan, Amir Azam; Labbe, Jean Claude

    2014-01-01

    The term Surface Engineering is of relatively recent origin and use, however, the use of coatings and treatments to render surfaces of materials more suitable for certain application or environment is not new. With the advent of Vacuum Technology, Surface Engineering has gained a whole new impetus, whereby expensive materials with adequate mechanical, chemical and thermal properties are being coated or treated on their surfaces in order to achieve what is called as Surface Engineered materials. The present paper presents an overview of recent achievements in Surface Engineering and gives a detailed view of a specific application where glass-metal composite coatings were deposited on ceramic components in order to render them sensitive to induction heating. Sintered glaze coatings containing silver particles in appropriate concentration can be used for the induction heating of porcelain. Mixtures of glass ceramic powders with silver are used to prepare self-transfer patterns, which are deposited over porcelain. Several configurations of these coatings, which are aesthetic to start with, are employed and heating patterns are recorded. The microstructure of these coatings is discussed in relation to the heating ability by a classical household induction system. The results show that this technique is practical and commercially viable

  5. Structural characterization of biomedical Co-Cr-Mo components produced by direct metal laser sintering.

    Science.gov (United States)

    Barucca, G; Santecchia, E; Majni, G; Girardin, E; Bassoli, E; Denti, L; Gatto, A; Iuliano, L; Moskalewicz, T; Mengucci, P

    2015-03-01

    Direct metal laser sintering (DMLS) is a technique to manufacture complex functional mechanical parts from a computer-aided design (CAD) model. Usually, the mechanical components produced by this procedure show higher residual porosity and poorer mechanical properties than those obtained by conventional manufacturing techniques. In this work, a Co-Cr-Mo alloy produced by DMLS with a composition suitable for biomedical applications was submitted to hardness measurements and structural characterization. The alloy showed a hardness value remarkably higher than those commonly obtained for the same cast or wrought alloys. In order to clarify the origin of this unexpected result, the sample microstructure was investigated by X-ray diffraction (XRD), electron microscopy (SEM and TEM) and energy dispersive microanalysis (EDX). For the first time, a homogeneous microstructure comprised of an intricate network of thin ε (hcp)-lamellae distributed inside a γ (fcc) phase was observed. The ε-lamellae grown on the {111}γ planes limit the dislocation slip inside the γ (fcc) phase, causing the measured hardness increase. The results suggest possible innovative applications of the DMLS technique to the production of mechanical parts in the medical and dental fields. Copyright © 2014 Elsevier B.V. All rights reserved.

  6. The influence of hydrogen on the fatigue life of metallic leaf spring components in a vacuum environment

    NARCIS (Netherlands)

    Kouters, M.H.M.; Slot, H.M.; Zwieten, W. van; Veer, J. van der

    2014-01-01

    Hydrogen is used as a process gas in vacuum environments for semiconductor manufacturing equipment. If hydrogen dissolves in metallic components during operation it can result in hydrogen embrittlement. In order to assess if hydrogen embrittlement occurs in such a vacuum environment a special

  7. Molybdate binding by ModA, the periplasmic component of the Escherichia coli mod molybdate transport system.

    Science.gov (United States)

    Imperial, J; Hadi, M; Amy, N K

    1998-03-13

    ModA, the periplasmic-binding protein of the Escherichia coli mod transport system was overexpressed and purified. Binding of molybdate and tungstate to ModA was found to modify the UV absorption and fluorescence emission spectra of the protein. Titration of these changes showed that ModA binds molybdate and tungstate in a 1:1 molar ratio. ModA showed an intrinsic fluorescence emission spectrum attributable to its three tryptophanyl residues. Molybdate binding caused a conformational change in the protein characterized by: (i) a shift of tryptophanyl groups to a more hydrophobic environment; (ii) a quenching (at pH 5.0) or enhancement (at pH 7.8) of fluorescence; and (iii) a higher availability of tryptophanyl groups to the polar quencher acrylamide. The tight binding of molybdate did not allow an accurate estimation of the binding constants by these indirect methods. An isotopic binding method with 99MoO42- was used for accurate determination of KD (20 nM) and stoichiometry (1:1 molar ratio). ModA bound tungstate with approximately the same affinity, but did not bind sulfate or phosphate. These KDs are 150- to 250-fold lower than those previously reported, and compatible with the high molybdate transport affinity of the mod system. The affinity of ModA for molybdate was also determined in vivo and found to be similar to that determined in vitro. Copyright 1998 Elsevier Science B.V.

  8. Evaluation of synthetic water-soluble metal-binding polymers with ultrafiltration for selective concentration of americium and plutonium

    International Nuclear Information System (INIS)

    Smith, B.F.; Gibson, R.R.; Jarvinen, G.D.; Jones, M.M.; Lu, M.T.; Robison, T.W.; Schroeder, N.C.; Stalnaker, N.

    1997-01-01

    Routine counting methods and ICP-MS are unable to directly measure the new US Department of Energy (DOE) regulatory level for discharge waters containing alpha-emitting radionuclides of 30 pCi/L total alpha or the 0.05 pCi/L regulatory level for Pu or Am activity required for surface waters at the Rocky Flats site by the State of Colorado. This inability indicates the need to develop rapid, reliable, and robust analytical techniques for measuring actinide metal ions, particularly americium and plutonium. Selective separation or preconcentration techniques would aid in this effort. Water-soluble metal-binding polymers in combination with ultrafiltration are shown to be an effective method for selectively removing dilute actinide ions from acidic solutions of high ionic strength. The actinide-binding properties of commercially available water-soluble polymers and several polymers which have been reported in the literature were evaluated. The functional groups incorporated in the polymers were pyrrolidone, amine, oxime, and carboxylic, phosphonic, or sulfonic acid. The polymer containing phosphonic acid groups gave the best results with high distribution coefficients and concentration factors for 241 Am(III) and 238 Pu(III)/(IV) at pH 4 to 6 and ionic strengths of 0.1 to 4

  9. Calcium-dependent and -independent binding of the pentraxin serum amyloid P component to glycosaminoglycans and amyloid proteins

    DEFF Research Database (Denmark)

    Danielsen, B; Sørensen, I J; Nybo, Mads

    1997-01-01

    precursor protein beta2M was observed. This binding was also enhanced at slightly acid pH, most pronounced at pH 5.0. The results of this study indicate that SAP can exhibit both Ca2(+)-dependent and -independent binding to ligands involved in amyloid fibril formation and that the binding is enhanced under...... and beta2M) by ELISA. An increase in the dose-dependent binding of SAP to heparan sulfate, AA-protein and beta2M was observed as the pH decreased from 8.0 to 5.0. Furthermore, a lower, but significant Ca2(+)-independent binding of SAP to heparan sulfate, dermatan sulfate, AA protein and the amyloid...

  10. Extraction of uranium (VI) from sea water using hydrous metalic oxide binded with hydrophilic polymers

    International Nuclear Information System (INIS)

    Shigetomi, Yasumasa; Kojima, Takehiro; Kamba, Hideaki

    1978-01-01

    In the past five years, many researches have been made to extract U(VI) from sea water. This is a report of the extraction of U(VI) from sea water using hydrous titanium oxide binded with hydrophilic polymers, the apparatus for the adsorption and the separation of U(VI) by means of ion exchange. (author)

  11. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

    Science.gov (United States)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard

    2014-03-01

    The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

  12. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

    International Nuclear Information System (INIS)

    Hegde, Ganesh; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard

    2014-01-01

    The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain

  13. An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. II. Application—Effect of quantum confinement and homogeneous strain on Cu conductance

    Energy Technology Data Exchange (ETDEWEB)

    Hegde, Ganesh, E-mail: ghegde@purdue.edu; Povolotskyi, Michael; Kubis, Tillmann; Charles, James; Klimeck, Gerhard, E-mail: gekco@purdue.edu [Network for Computational Nanotechnology (NCN), Department of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)

    2014-03-28

    The Semi-Empirical tight binding model developed in Part I Hegde et al. [J. Appl. Phys. 115, 123703 (2014)] is applied to metal transport problems of current relevance in Part II. A systematic study of the effect of quantum confinement, transport orientation, and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in Cu nanowires is found to be the most favorable for mitigating conductivity degradation since it shows least reduction in conductance with confinement and responds most favorably to compressive strain.

  14. Inorganic concepts relevant to metal binding, activity, and toxicity in a biological system

    Energy Technology Data Exchange (ETDEWEB)

    Hoeschele, J.D. (Warner-Lambert Co., Ann Arbor, MI (USA). Parke-Davis Pharmaceutical Research Div.); Turner, J.E.; England, M.W. (Oak Ridge National Lab., TN (USA))

    1990-01-01

    The purpose of this paper is to review selected physical and inorganic concepts and factors which might be important in assessing and/or understanding the fact and disposition of a metal system in a biological environment. Hopefully, such inquiries will ultimately permit us to understand, rationalize, and predict differences and trends in biological effects as a function of the basic nature of a metal system and, in optimal cases, serve as input to a system of guidelines for the notion of Chemical Dosimetry.'' The plan of this paper is to first review, in general terms, the basic principles of the Crystal Field Theory (CFT), a unifying theory of bonding in metal complexes. This will provide the necessary theoretical background for the subsequent discussion of selected concepts and factors. 21 refs., 7 figs., 6 tabs.

  15. Regulatory Interactions of Csr Components: the RNA Binding Protein CsrA Activates csrB Transcription in Escherichia coli

    OpenAIRE

    Gudapaty, Seshagirirao; Suzuki, Kazushi; Wang, Xin; Babitzke, Paul; Romeo, Tony

    2002-01-01

    The global regulator CsrA (carbon storage regulator) of Escherichia coli is a small RNA binding protein that represses various metabolic pathways and processes that are induced in the stationary phase of growth, while it activates certain exponential phase functions. Both repression and activation by CsrA involve posttranscriptional mechanisms, in which CsrA binding to mRNA leads to decreased or increased transcript stability, respectively. CsrA also binds to a small untranslated RNA, CsrB, f...

  16. Crystal structures reveal metal-binding plasticity at the metallo-β-lactamase active site of PqqB from Pseudomonas putida

    Energy Technology Data Exchange (ETDEWEB)

    Tu, Xiongying; Latham, John A.; Klema, Valerie J.; Evans III, Robert L.; Li, Chao; Klinman, Judith P.; Wilmot, Carrie M. (UMM); (UCB)

    2017-08-19

    PqqB is an enzyme involved in the biosynthesis of pyrroloquinoline quinone and a distal member of the metallo-β-lactamase (MBL) superfamily. PqqB lacks two residues in the conserved signature motif HxHxDH that makes up the key metal-chelating elements that can bind up to two metal ions at the active site of MBLs and other members of its superfamily. Here, we report crystal structures of PqqB bound to Mn2+, Mg2+, Cu2+, and Zn2+. These structures demonstrate that PqqB can still bind metal ions at the canonical MBL active site. The fact that PqqB can adapt its side chains to chelate a wide spectrum of metal ions with different coordination features on a uniform main chain scaffold demonstrates its metal-binding plasticity. This plasticity may provide insights into the structural basis of promiscuous activities found in ensembles of metal complexes within this superfamily. Furthermore, PqqB belongs to a small subclass of MBLs that contain an additional CxCxxC motif that binds a structural Zn2+. Our data support a key role for this motif in dimerization.

  17. De novo design and engineering of functional metal and porphyrin-binding protein domains

    Science.gov (United States)

    Everson, Bernard H.

    In this work, I describe an approach to the rational, iterative design and characterization of two functional cofactor-binding protein domains. First, a hybrid computational/experimental method was developed with the aim of algorithmically generating a suite of porphyrin-binding protein sequences with minimal mutual sequence information. This method was explored by generating libraries of sequences, which were then expressed and evaluated for function. One successful sequence is shown to bind a variety of porphyrin-like cofactors, and exhibits light- activated electron transfer in mixed hemin:chlorin e6 and hemin:Zn(II)-protoporphyrin IX complexes. These results imply that many sophisticated functions such as cofactor binding and electron transfer require only a very small number of residue positions in a protein sequence to be fixed. Net charge and hydrophobic content are important in determining protein solubility and stability. Accordingly, rational modifications were made to the aforementioned design procedure in order to improve its overall success rate. The effects of these modifications are explored using two `next-generation' sequence libraries, which were separately expressed and evaluated. Particular modifications to these design parameters are demonstrated to effectively double the purification success rate of the procedure. Finally, I describe the redesign of the artificial di-iron protein DF2 into CDM13, a single chain di-Manganese four-helix bundle. CDM13 acts as a functional model of natural manganese catalase, exhibiting a kcat of 0.08s-1 under steady-state conditions. The bound manganese cofactors have a reduction potential of +805 mV vs NHE, which is too high for efficient dismutation of hydrogen peroxide. These results indicate that as a high-potential manganese complex, CDM13 may represent a promising first step toward a polypeptide model of the Oxygen Evolving Complex of the photosynthetic enzyme Photosystem II.

  18. Study of the binding of {sup 114m}In radiotracer to human serum components by ultrafiltration and chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Hulle, M. van; De Cremer, K.; Cornelis, R. [Ghent Rijksuniversiteit (Belgium). Lab. for Analytical Chemistry

    2000-10-01

    The chemical speciation of indium in serum was studied. Ultrafiltration was used to investigate the influence of several buffer systems on the binding characteristics of indium in serum and to study the association of indium with transferrin and albumin. This was performed by means of batch incubation experiments with a {sup 114m}In tracer. Different buffer systems were investigated. A series of bicarbonate, Tris:HCl and HEPES buffers were found to fit for this purpose. Phosphate buffer was not suitable, as it is capable of disrupting the binding between indium and transferrin. Batch ultrafiltration experiments with {sup 114m}In incubated solutions of transferrin and albumin showed that both proteins are capable of binding indium to a high degree. Three chromatographic techniques (SEC, AEC, AC) were used to study the different chemically active species of indium in serum. It is concluded that next to transferrin, albumin is also responsible for the binding and transport of indium in serum. (orig.)

  19. Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes

    DEFF Research Database (Denmark)

    Thygesen, Kristian Sommer; Rubio, Angel

    2009-01-01

    a microscopic model of the metal-molecule interface, we illustrate the basic features of this renormalization mechanism through systematic GW, Hartree-Fock, and Kohn-Sham calculations for the molecular energy levels as function of the model parameters. We identify two different polarization mechanisms: (i...

  20. Reversible CO binding enables tunable CO/H₂ and CO/N₂ separations in metal-organic frameworks with exposed divalent metal cations.

    Science.gov (United States)

    Bloch, Eric D; Hudson, Matthew R; Mason, Jarad A; Chavan, Sachin; Crocellà, Valentina; Howe, Joshua D; Lee, Kyuho; Dzubak, Allison L; Queen, Wendy L; Zadrozny, Joseph M; Geier, Stephen J; Lin, Li-Chiang; Gagliardi, Laura; Smit, Berend; Neaton, Jeffrey B; Bordiga, Silvia; Brown, Craig M; Long, Jeffrey R

    2014-07-30

    Six metal-organic frameworks of the M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Zn; dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate) structure type are demonstrated to bind carbon monoxide reversibly and at high capacity. Infrared spectra indicate that, upon coordination of CO to the divalent metal cations lining the pores within these frameworks, the C-O stretching frequency is blue-shifted, consistent with nonclassical metal-CO interactions. Structure determinations reveal M-CO distances ranging from 2.09(2) Å for M = Ni to 2.49(1) Å for M = Zn and M-C-O angles ranging from 161.2(7)° for M = Mg to 176.9(6)° for M = Fe. Electronic structure calculations employing density functional theory (DFT) resulted in good agreement with the trends apparent in the infrared spectra and crystal structures. These results represent the first crystallographically characterized magnesium and zinc carbonyl compounds and the first high-spin manganese(II), iron(II), cobalt(II), and nickel(II) carbonyl species. Adsorption isotherms indicate reversible adsorption, with capacities for the Fe, Co, and Ni frameworks approaching one CO per metal cation site at 1 bar, corresponding to loadings as high as 6.0 mmol/g and 157 cm(3)/cm(3). The six frameworks display (negative) isosteric heats of CO adsorption ranging from 52.7 to 27.2 kJ/mol along the series Ni > Co > Fe > Mg > Mn > Zn, following the Irving-Williams stability order. The reversible CO binding suggests that these frameworks may be of utility for the separation of CO from various industrial gas mixtures, including CO/H2 and CO/N2. Selectivities determined from gas adsorption isotherm data using ideal adsorbed solution theory (IAST) over a range of gas compositions at 1 bar and 298 K indicate that all six M2(dobdc) frameworks could potentially be used as solid adsorbents to replace current cryogenic distillation technologies, with the choice of M dictating adsorbent regeneration energy and the level of purity of the resulting gases.

  1. Heavy metal pollution in immobile and mobile components of lentic ecosystems-a review.

    Science.gov (United States)

    Meena, Ramakrishnan Anu Alias; Sathishkumar, Palanivel; Ameen, Fuad; Yusoff, Abdull Rahim Mohd; Gu, Feng Long

    2018-02-01

    With growing population and urbanization, there is an increasing exploitation of natural resources, and this often results to environmental pollution. In this review, the levels of heavy metal in lentic compartments (water, sediment, fishes, and aquatic plants) over the past two decades (1997-2017) have been summarized to evaluate the current pollution status of this ecosystem. In all the compartments, the heavy metals dominated are zinc followed by iron. The major reason could be area mineralogy and lithogenic sources. Enormous quantity of metals like iron in estuarine sediment is a very natural incident due to the permanently reducing condition of organic substances. Contamination of cadmium, lead, and chromium was closely associated with anthropogenic origin. In addition, surrounding land use and atmospheric deposition could have been responsible for substantial pollution. The accumulation of heavy metals in fishes and aquatic plants is the result of time-dependent deposition in lentic ecosystems. Moreover, various potential risk assessment methods for heavy metals were discussed. This review concludes that natural phenomena dominate the accumulation of essential heavy metals in lentic ecosystems compared to anthropogenic sources. Amongst other recent reviews on heavy metals from other parts of the world, the present review is executed in such a way that it explains the presence of heavy metals not only in water environment, but also in the whole of the lentic system comprising sediment, fishes, and aquatic plants.

  2. Numerical simulation of stress distribution in Inconel 718 components realized by metal injection molding during supercritical debinding

    Science.gov (United States)

    Agne, Aboubakry; Barrière, Thierry

    2018-05-01

    Metal injection molding (MIM) is a process combining advantages of thermoplastic injection molding and powder metallurgy process in order to manufacture components with complex and near net-shape geometries. The debinding of a green component can be performed in two steps, first by using solvent debinding in order to extract the organic part of the binder and then by thermal degradation of the rest of the binder. A shorter and innovative method for extracting an organic binder involves the use of supercritical fluid instead of a regular solvent. The debinding via a supercritical fluid was recently investigated to extract organic binders contained in components obtained by Metal Injection Molding. It consists to put the component in an enclosure subjected to high pressure and temperature. The supercritical fluid has various properties depending on these two conditions, e.g., density and viscosity. The high-pressure combined with the high temperature during the process affect the component structure. Three mechanisms contributing to the deformation of the component can been differentiated: thermal expansion, binder extraction and supercritical fluid effect on the outer surfaces of the component. If one supposes that, the deformation due to binder extraction is negligible, thermal expansion and the fluid effect are probably the main mechanisms that can produce several stress. A finite-element model, which couples fluid-structures interaction and structural mechanics, has been developed and performed on the Comsol Multiphysics® finite-element software platform allowed to estimate the stress distribution during the supercritical debinding of MIM component composed of Inconel 718 powders, polypropylene, polyethylene glycol and stearic acid as binder. The proposed numerical simulations allow the estimation of the stress distribution with respect to the processing parameters for MIM components during the supercritical debinding process using a stationary solver.

  3. Binding of hydrocarbons and other extremely weak ligands to transition metal complexes that coordinate hydrogen: Investigation of cis-interactions and delocalized bonding involving sigma bonds

    International Nuclear Information System (INIS)

    Kubas, G.J.; Eckert, J.; Luo, X.L.

    1997-01-01

    This is the final report of a three-year Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). At the forefront of chemistry are efforts to catalytically transform the inert C-H bonds in alkanes to more useful products using metal compounds. The goal is to observe binding and cleavage of alkane C-H bonds on metals or to use related silane Si-H bonding as models, analogous to the discovery of hydrogen (H 2 ) binding to metals. Studies of these unique sigma complexes (M hor-ellipsis H-Y; Y double-bond H, Si, C) will aid in developing new catalysts or technologies relevant to DOE interest, e.g., new methods for tritium isotope separation. Several transition metals (Mo, W, Mn, and Pt) were found to reversibly bind and cleave H 2 , silanes, and halocarbons. The first metal-SiH 4 complexes, thus serving as a model for methane reactions. A second goal is to study the dynamics and energetics of H-Y bonds on metals by neutron scattering, and evidence for interactions between bound H-Y and nearby H atoms on metal complexes has been found

  4. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    KAUST Repository

    Park, Soohyung; Mutz, Niklas; Schultz, Thorsten; Blumstengel, Sylke; Han, Ali; Aljarb, Areej; Li, Lain-Jong; List-Kratochvil, Emil J W; Amsalem, Patrick; Koch, Norbert

    2018-01-01

    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron–hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  5. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    KAUST Repository

    Park, Soohyung

    2018-01-03

    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron–hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  6. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    Science.gov (United States)

    Park, Soohyung; Mutz, Niklas; Schultz, Thorsten; Blumstengel, Sylke; Han, Ali; Aljarb, Areej; Li, Lain-Jong; List-Kratochvil, Emil J. W.; Amsalem, Patrick; Koch, Norbert

    2018-04-01

    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron-hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  7. Binding properties of oxacalix[4]arenes derivatives toward metal cations; Interactions entre cations metalliques et derives des oxacalix[4]arenes

    Energy Technology Data Exchange (ETDEWEB)

    Mellah, B

    2006-11-15

    The objective of this work was to establish the binding properties of oxacalix[4]arene derivatives with different numbers of the oxa bridges, functional groups (ketones, pyridine, ester, amide and methoxy) and conformations. Their interactions with alkali and alkaline-earth, heavy and transition metal cations have been evaluated according to different approaches: (i) extraction of corresponding picrates from an aqueous phase into dichloromethane; (ii) determination of the thermodynamic parameters of complexation in methanol and/or acetonitrile by UV-spectrophotometry and micro-calorimetry; (iii) determination of the stoichiometry of the complexes by ESI-MS; (iv) {sup 1}H-NMR titrations allowing to localize the metal ions in the ligand cavity. In a first part dealing on homo-oxacalix[4]arenes, selectivities for Na{sup +}, K{sup +}, Ca{sup 2+}, Pb{sup 2+} and Mn{sup 2+} of ketones derivatives was shown. The presence of oxa bridge in these derivatives increases their efficiency while decreasing their selectivity with respect to related calixarenes. The pyridine derivative prefers transition and heavy metal cations, in agreement with the presence of the soft nitrogen atoms. In the second part, di-oxacalix[4]arene ester and secondary amide derivatives were shown to be less effective than tertiary amide counterparts but to present high selectivities for Li{sup +}, Ba{sup 2+}, Zn{sup 2+} and Hg{sup 2+}. A third part devoted to the octa-homo-tetra-oxacalix[4]arene tetra-methoxy shows that the 1:1 metal complexes formed are generally more stable than those of calixarenes, suggesting the participation of the oxygen atoms of the bridge in the complexation. Selectivity for Cs{sup +}, Ba{sup 2+}, Cu{sup 2+} and Hg{sup 2+} were noted. (author)

  8. HEAVY METALS AS UNWANTED COMPONENTS OF BACKWASH WATER DERIVED FROM GROUNDWATER TREATMENT

    Directory of Open Access Journals (Sweden)

    Robert Nowak

    2016-06-01

    Full Text Available The paper presents some aspects of the problem of heavy metals presence in wastewater and sewage sludge from water treatment. In the first part, issues on quality of wastewaters and sludge produced during water treatment along with actions aimed at the neutralization of such wastes, were discussed. Subsequent parts of the work present the example of 12 groundwater treatment stations in a particular municipality, and the problem of backwash water quality, in particular, heavy metals contents. The analysis covered a period of three years: 2013, 2014, and 2015. The authors, using the discussed examples, have shown that besides hydrated iron and manganese oxides, also other toxic contaminants can be present in backwash water from groundwater treatment. In particular, the qualitative analysis of the backwash water revealed the presence of heavy metals, mainly zinc. The test results for backwash water were compared with those of filtrate qualitative assessment, wherein the heavy metals were not found. This fact indicated the metal retention in the filter bed and their unsustainable immobilization resulting in penetration of heavy metals from deposit to the backwash water along with other impurities, mainly iron and manganese oxides. The main conclusion from the study is to demonstrate the need for constant monitoring of the backwash water quality, including the presence of toxic heavy metals. This is also important because of the requirement to minimize the negative environmental impact of wastes generated during the water treatment process.

  9. Competition of dipositive metal ions for Fe (III) binding sites in chelation therapy of Iron Load

    International Nuclear Information System (INIS)

    Rehmani, Fouzia S.

    2005-01-01

    Iron overload is a condition in which excessive iron deposited in the liver, kidney and spleen of human beings in the patients of beta thalassemia and sickle cell anemia. Instead of its importance iron could be toxic when in excess, it damages the tissues. For the treatment of iron overload, a drug desferrioxamine mesylate has been used. It is linear trihydroxamic acid, a natural siderophore produced by streptomyces which removes the extra iron from body. Salicylhydroxamate type siderphore. In present research salicylhydroxamate was used for the complexation with dipositive metal ions which are available in biological environments such as Mn (II), Co (II), Ni (II) and Cu (II). The aim of our work was to study the competition reactions between Fe (III) and other dipositive ions; to calculate the thermodynamic data of chelation of these metal ions complexes with hydroxamate by computer program and comparison with hydroxamate complexes. (author)

  10. Prevention of iron- and copper-mediated DNA damage by catecholamine and amino acid neurotransmitters, L-DOPA, and curcumin: metal binding as a general antioxidant mechanism.

    Science.gov (United States)

    García, Carla R; Angelé-Martínez, Carlos; Wilkes, Jenna A; Wang, Hsiao C; Battin, Erin E; Brumaghim, Julia L

    2012-06-07

    Concentrations of labile iron and copper are elevated in patients with neurological disorders, causing interest in metal-neurotransmitter interactions. Catecholamine (dopamine, epinephrine, and norepinephrine) and amino acid (glycine, glutamate, and 4-aminobutyrate) neurotransmitters are antioxidants also known to bind metal ions. To investigate the role of metal binding as an antioxidant mechanism for these neurotransmitters, L-dihydroxyphenylalanine (L-DOPA), and curcumin, their abilities to prevent iron- and copper-mediated DNA damage were quantified, cyclic voltammetry was used to determine the relationship between their redox potentials and DNA damage prevention, and UV-vis studies were conducted to determine iron and copper binding as well as iron oxidation rates. In contrast to amino acid neurotransmitters, catecholamine neurotransmitters, L-DOPA, and curcumin prevent significant iron-mediated DNA damage (IC(50) values of 3.2 to 18 μM) and are electrochemically active. However, glycine and glutamate are more effective at preventing copper-mediated DNA damage (IC(50) values of 35 and 12.9 μM, respectively) than L-DOPA, the only catecholamine to prevent this damage (IC(50) = 73 μM). This metal-mediated DNA damage prevention is directly related to the metal-binding behaviour of these compounds. When bound to iron or copper, the catecholamines, amino acids, and curcumin significantly shift iron oxidation potentials and stabilize Fe(3+) over Fe(2+) and Cu(2+) over Cu(+), a factor that may prevent metal redox cycling in vivo. These results highlight the disparate antioxidant activities of neurotransmitters, drugs, and supplements and highlight the importance of considering metal binding when identifying antioxidants to treat and prevent neurodegenerative disorders.

  11. Ceruloplasmin revisited: structural and functional roles of various metal cation-binding sites

    International Nuclear Information System (INIS)

    Bento, Isabel; Peixoto, Cristina; Zaitsev, Vjacheslav N.; Lindley, Peter F.

    2007-01-01

    The three-dimensional molecular structure of human serum ceruloplasmin has been reinvestigated using X-ray synchrotron data collected at 100 K from a crystal frozen to liquid-nitrogen temperature. The three-dimensional molecular structure of human serum ceruloplasmin has been reinvestigated using X-ray synchrotron data collected at 100 K from a crystal frozen to liquid-nitrogen temperature. The resulting model, with an increase in resolution from 3.1 to 2.8 Å, gives an overall improvement of the molecular structure, in particular the side chains. In addition, it enables the clear definition of previously unidentified Ca 2+ -binding and Na + -binding sites. The Ca 2+ cation is located in domain 1 in a configuration very similar to that found in the activated bovine factor Va. The Na + sites appear to play a structural role in providing rigidity to the three protuberances on the top surface of the molecule. These features probably help to steer substrates towards the mononuclear copper sites prior to their oxidation and to restrict the size of the approaching substrate. The trinuclear copper centre appears to differ from the room-temperature structure in that a dioxygen moiety is bound in a similar way to that found in the endospore coat protein CotA from Bacillus subtilis

  12. Nanoscale orientation and lateral organization of chimeric metal-binding green fluorescent protein on lipid membrane determined by epifluorescence and atomic force microscopy

    International Nuclear Information System (INIS)

    Prachayasittikul, Virapong; Isarankura Na Ayudhya, Chartchalerm; Tantimongcolwat, Tanawut; Galla, Hans-Joachim

    2005-01-01

    Epifluorescence microscopy as well as atomic force microscopy was successfully applied to explore the orientation and lateral organization of a group of chimeric green fluorescent proteins (GFPs) on lipid membrane. Incorporation of the chimeric GFP carrying Cd-binding region (His6CdBP4GFP) to the fluid phase of DPPC monolayer resulted in a strong fluorescence intensity at the air-water interface. Meanwhile, non-specific adsorption of the GFP having hexahistidine (His6GFP) led to the perturbation of the protein structure in which very low fluorescence was observed. Specific binding of both of the chimeric GFPs to immobilized zinc ions underneath the metal-chelating lipid membrane was revealed. This specific binding could be reversibly controlled by addition of metal ions or metal chelator. Binding of the chimeric GFPs to the metal-chelating lipid membrane was proven to be the end-on orientation while the side-on adsorption was contrarily noted in the absence of metal ions. Increase of lateral mobility owing to the fluidization effect on the chelating lipid membrane subsequently facilitated crystal formation. All these findings have opened up a potential approach for a specific orientation of immobilization of protein at the membrane interface. This could have accounted for a better opportunity of sensor development

  13. Automated Design and Analysis Tool for CLV/CEV Composite and Metallic Structural Components, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The innovation of the proposed effort is a unique automated process for the analysis, design, and sizing of CLV/CEV composite and metallic structures. This developed...

  14. Thermoplastic forming of bulk metallic glasses for precision robotics components, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Demand for novel manufacturing methods for space systems brings unique properties of bulk metallic glasses (BMG) into the spotlight. In addition to superior...

  15. Transformation of atmospheric components near a spark discharge at the anode polarization of a metallic electrode hanging over a solution

    Science.gov (United States)

    Orlov, A. M.; Yavtushenko, I. O.; Bodnarskii, D. S.

    2013-03-01

    The variation of the pressure of a gas phase activated by spark discharges between an aqueous electrolyte solution (liquid cathode) and a metallic electrode (anode) hanging over the solution is studied. A mathematical model of the proceeding reaction kinetics is constructed, and the variation of the partial pressures of all initial and produced components in the gas phase is calculated. Both the Faraday and non-Faraday mechanisms of gas component production from water are confirmed. It is found that a large overhanging drop responsible for additional supply of simultaneously produced H2 and O2 molecules forms rapidly at the end face of the anodically polarized electrode.

  16. Gaia reveals a metal-rich in-situ component of the local stellar halo

    Science.gov (United States)

    Bonaca, Ana; Conroy, Charlie; Wetzel, Andrew; Hopkins, Philip; Keres, Dusan

    2018-01-01

    We use the first Gaia data release, combined with RAVE and APOGEE spectroscopic surveys, to investigate the origin of halo stars within ~3 kpc from the Sun. We identify halo stars kinematically, as moving with a relative speed of at least 220 km/s with respect to the local standard of rest. These stars are in general more metal-poor than the disk, but surprisingly, half of our halo sample is comprised of stars with [Fe/H]>-1. The orbital directions of these metal-rich halo stars are preferentially aligned with the disk rotation, in sharp contrast with the isotropic orbital distribution of the more metal-poor halo stars. We find similar properties in the Latte cosmological zoom-in simulation of a Milky Way-like galaxy from the FIRE project. In Latte, metal-rich halo stars formed primarily inside of the solar circle, while lower-metallicity halo stars preferentially formed at larger distances (extending beyond the virial radius). This suggests that metal-rich halo stars in the Solar neighborhood in fact formed in situ within the Galactic disk rather than having been accreted from satellite systems. These stars, currently on halo-like orbits, therefore have likely undergone substantial radial migration/heating.

  17. Gaia Reveals a Metal-rich, in situ Component of the Local Stellar Halo

    Science.gov (United States)

    Bonaca, Ana; Conroy, Charlie; Wetzel, Andrew; Hopkins, Philip F.; Kereš, Dušan

    2017-08-01

    We use the first Gaia data release, combined with the RAVE and APOGEE spectroscopic surveys, to investigate the origin of halo stars within ≲ 3 kpc from the Sun. We identify halo stars kinematically as moving at a relative speed of at least 220 km s-1 with respect to the local standard of rest. These stars are generally less metal-rich than the disk, but surprisingly, half of our halo sample is comprised of stars with [{Fe}/{{H}}]> -1. The orbital directions of these metal-rich halo stars are preferentially aligned with the disk rotation, in sharp contrast with the intrinsically isotropic orbital distribution of the metal-poor halo stars. We find similar properties in the Latte cosmological zoom-in simulation of a Milky Way-like galaxy from the FIRE project. In Latte, metal-rich halo stars formed primarily inside of the solar circle, whereas lower-metallicity halo stars preferentially formed at larger distances (extending beyond the virial radius). This suggests that metal-rich halo stars in the solar neighborhood actually formed in situ within the Galactic disk, rather than having been accreted from satellite systems. These stars, currently on halo-like orbits, therefore have likely undergone substantial radial migration/heating.

  18. Enrichment of the metallic components from waste printed circuit boards by a mechanical separation process using a stamp mill

    International Nuclear Information System (INIS)

    Yoo, Jae-Min; Jeong, Jinki; Yoo, Kyoungkeun; Lee, Jae-chun; Kim, Wonbaek

    2009-01-01

    Printed circuit boards incorporated in most electrical and electronic equipment contain valuable metals such as Cu, Ni, Au, Ag, Pd, Fe, Sn, and Pb. In order to employ a hydrometallurgical route for the recycling of valuable metals from printed circuit boards, a mechanical pre-treatment step is needed. In this study, the metallic components from waste printed circuit boards have been enriched using a mechanical separation process. Waste printed circuit boards shredded to 5.0 mm. The fractions of milled printed circuit boards of size 5.0 mm fraction and the heavy fraction were subjected to two-step magnetic separation. Through the first magnetic separation at 700 Gauss, 83% of the nickel and iron, based on the whole printed circuit boards, was recovered in the magnetic fraction, and 92% of the copper was recovered in the non-magnetic fraction. The cumulative recovery of nickel-iron concentrate was increased by a second magnetic separation at 3000 Gauss, but the grade of the concentrate decreased remarkably from 76% to 56%. The cumulative recovery of copper concentrate decreased, but the grade increased slightly from 71.6% to 75.4%. This study has demonstrated the feasibility of the mechanical separation process consisting of milling/size classification/gravity separation/two-step magnetic separation for enriching metallic components such as Cu, Ni, Al, and Fe from waste printed circuit boards

  19. Expression and purification of recombinant proteins in Escherichia coli tagged with a small metal-binding protein from Nitrosomonas europaea.

    Science.gov (United States)

    Vargas-Cortez, Teresa; Morones-Ramirez, Jose Ruben; Balderas-Renteria, Isaias; Zarate, Xristo

    2016-02-01

    Escherichia coli is still the preferred organism for large-scale production of recombinant proteins. The use of fusion proteins has helped considerably in enhancing the solubility of heterologous proteins and their purification with affinity chromatography. Here, the use of a small metal-binding protein (SmbP) from Nitrosomonas europaea is described as a new fusion protein for protein expression and purification in E. coli. Fluorescent proteins tagged at the N-terminal with SmbP showed high levels of solubility, compared with those of maltose-binding protein and glutathione S-transferase, and low formation of inclusion bodies. Using commercially available IMAC resins charged with Ni(II), highly pure recombinant proteins were obtained after just one chromatography step. Proteins may be purified from the periplasm of E. coli if SmbP contains the signal sequence at the N-terminal. After removal of the SmbP tag from the protein of interest, high-yields are obtained since SmbP is a protein of just 9.9 kDa. The results here obtained suggest that SmbP is a good alternative as a fusion protein/affinity tag for the production of soluble recombinant proteins in E. coli. Copyright © 2015 Elsevier Inc. All rights reserved.

  20. Protection against Mitochondrial and Metal Toxicity Depends on Functional Lipid Binding Sites in ATP13A2

    Directory of Open Access Journals (Sweden)

    Shaun Martin

    2016-01-01

    Full Text Available The late endo-/lysosomal P-type ATPase ATP13A2 (PARK9 is implicated in Parkinson’s disease (PD and Kufor-Rakeb syndrome, early-onset atypical Parkinsonism. ATP13A2 interacts at the N-terminus with the signaling lipids phosphatidic acid (PA and phosphatidylinositol (3,5 bisphosphate (PI(3,5P2, which modulate ATP13A2 activity under cellular stress conditions. Here, we analyzed stable human SHSY5Y cell lines overexpressing wild-type (WT or ATP13A2 mutants in which three N-terminal lipid binding sites (LBS1–3 were mutated. We explored the regulatory role of LBS1–3 in the cellular protection by ATP13A2 against mitochondrial stress induced by rotenone and found that the LBS2-3 mutants displayed an abrogated protective effect. Moreover, in contrast to WT, the LBS2 and LBS3 mutants responded poorly to pharmacological inhibition of, respectively, PI(3,5P2 and PA formation. We further demonstrate that PA and PI(3,5P2 are also required for the ATP13A2-mediated protection against the toxic metals Mn2+, Zn2+, and Fe3+, suggesting a general lipid-dependent activation mechanism of ATP13A2 in various PD-related stress conditions. Our results indicate that the ATP13A2-mediated protection requires binding of PI(3,5P2 to LBS2 and PA to LBS3. Thus, targeting the N-terminal lipid binding sites of ATP13A2 might offer a therapeutic approach to reduce cellular toxicity of various PD insults including mitochondrial stress.

  1. Local coordination and medium range order in molten trivalent metal chlorides: The role of screening by the chlorine component

    International Nuclear Information System (INIS)

    Pastore, G.; Tosi, M.P.

    1995-11-01

    Earlier work has identified the metal ion size R M as a relevant parameter in determining the evolution of the liquid structure of trivalent metal chlorides across the series from LaCl 3 (R M approx. 1.4 A) to AlCl 3 (R M approx. 0.8 A). Here we highlight the structural role of the chlorines by contrasting the structure of fully equilibrated melts with that of disordered systems obtained by quenching the chlorine component. Main attention is given to how the suppression of screening of the polyvalent ions by the chlorines changes trends in the local liquid structure (first neighbour coordination and partial radial distribution functions) and in the intermediate range order (first sharp diffraction peak in the partial structure factors). The main microscopic consequences of structural quenching of the chlorine component are a reduction in short range order and an enhancement of intermediate range order in the metal ion component, as well as the suppression of a tendency to molecular-type states at the lower end of the range of R M . (author). 23 refs, 6 figs

  2. Structural and quantum mechanical computations to elucidate the altered binding mechanism of metal and drug with pyrazinamidase from Mycobacterium tuberculosis due to mutagenicity.

    Science.gov (United States)

    Rasool, Nouman; Iftikhar, Saima; Amir, Anam; Hussain, Waqar

    2018-03-01

    Pyrazinamide is known to be the most effective treatment against tuberculosis disease and is known to have bacteriostatic action. By targeting the bacterial spores, this drug reduces the chances for the progression of the infection in organisms. In recent years, increased instances of the drug resistance of bacterial strains are reported. Pyrazinamidase, activator for pyrazinamide, leads to resistance against the drug due to mutagenicity across the world. The present study aimed at the quantum mechanistic analysis of mutations in pyrazinamidase to gain insights into the mechanism of this enzyme. Quantum mechanical calculations were performed to analyse the effect of mutations at the metal coordination site using ORCA software program. Moreover, conformational changes in PZase binding cavity has also been analysed due to mutations of binding pocket residues using CASTp server. In order to elucidate the behaviour of the mutant pyrazinamidase, docking of PZA in the binding pocket of PZase was performed using AutoDock Vina. Analysis of results revealed that iron showed weak binding with the metal coordination site of the mutant proteins due to alteration in electron transfer mechanism. The binding cavity of the mutant PZase has undergone major conformational changes as the volume of pocket increased due to bulky R-chains of mutated amino acids. These conformational changes lead to weak binding of the drug at binding cavity of PZase and reduce the drug activation mechanism leading to increased drug resistance in the bacterial strains. Copyright © 2017 Elsevier Inc. All rights reserved.

  3. Aging of iron (hydr)oxides by heat treatment and effects on heavy metal binding

    DEFF Research Database (Denmark)

    Sørensen, Mette Abildgaard; Starckpoole, M. M.; Frenkel, A. I.

    2000-01-01

    their transformations caused by heat treatment prior to disposal or aging at a proper disposal site. The transformations were investigated by XRD, SEM, XANES, EXAFS, surface area measurements, pH static leaching tests, and extractions with oxalate and weak hydrochloric acid. It was found that at 600 and 900 °C the iron...... oxides were transformed to hematite, which had a greater thermodynamic stability but less surface area than the initial products. Heat treatment also caused some volatilization of heavy metals (most notably, Hg). Leaching with water at pH 9 (L/S 10, 24 h) and weak acid extraction showed that heat...

  4. Structure and binding of molecular clusters of trivalent metal halides in an ionic model

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Pastore, G.; Tosi, M.P.

    1997-10-01

    A model of ionic interactions first proposed for the molecular monomers of alkaline earth dihalides (G. Galli and M. P. Tosi, N. Ciemento D 4,413 (1984)) is used in a systematic study of the structure and binding of monomeric and dimeric units of Al, Fe ad Ga chlorides, bromides and iodides. Ionized states obtained by stripping or adding a halogen ion are considered in addition to neutral states. The main motivation for this work comes from recent studies of liquid structure in several of these systems by neutron and X-ray diffraction and Raman scattering. Main attention is consequently given in the present calculations to (i) bond lengths and bond angles in isolated clusters as precursors of local structures in melts, and (ii) stability of local structures against fluctuations into ionized states. The results are discussed in comparison with the available experimental data as well as with the results from Hartree-Fock and density functional calculations. (author)

  5. Degradation of the starch components amylopectin and amylose by barley α-amylase 1: Role of surface binding site 2

    DEFF Research Database (Denmark)

    Nielsen, Jonas Willum; Kramhøft, Birte; Bozonnet, Sophie

    2012-01-01

    Barley α-amylase isozyme 1 (AMY1, EC 3.2.1.1) contains two surface binding sites, SBS1 and SBS2, involved in the degradation of starch granules. The distinct role of SBS1 and SBS2 remains to be fully understood. Mutational analysis of Tyr-380 situated at SBS2 previously revealed that Tyr-380...... is required for binding of the amylose helix mimic, β-cyclodextrin. Also, mutant enzymes altered at position 380 displayed reduced binding to starch granules. Similarly, binding of wild type AMY1 to starch granules was suppressed in the presence of β-cyclodextrin. We investigated the role of SBS2 by comparing...... kinetic properties of the wild type AMY1 and the Y380A mutant enzyme in hydrolysis of amylopectin, amylose and β-limit dextrin, and the inhibition by β-cyclodextrin. Progress curves of the release of reducing ends revealed a bi-exponential hydrolysis of amylopectin and β-limit dextrin, whereas hydrolysis...

  6. Water growth on metals and oxides: binding, dissociation and role of hydroxyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Salmeron, M.; Bluhm, H.; Tatarkhanov, M.; Ketteler, G.; Shimizu, T.K.; Mugarza, A.; Deng, Xingyi; Herranz, T.; Yamamoto, S.; Nilsson, A.

    2008-09-01

    The authors discuss the role of the presence of dangling H bonds from water or from surface hydroxyl species on the wetting behavior of surfaces. Using Scanning Tunneling and Atomic Force Microscopies, and Photoelectron Spectroscopy, they have examined a variety of surfaces, including mica, oxides, and pure metals. They find that in all cases, the availability of free, dangling H-bonds at the surface is crucial for the subsequent growth of wetting water films. In the case of mica electrostatic forces and H-bonding to surface O atoms determine the water orientation in the first layer and also in subsequent layers with a strong influence in its wetting characteristics. In the case of oxides like TiO{sub 2}, Cu{sub 2}O, SiO{sub 2} and Al{sub 2}O{sub 3}, surface hydroxyls form readily on defects upon exposure to water vapor and help nucleate the subsequent growth of molecular water films. On pure metals, such as Pt, Pd, and Ru, the structure of the first water layer and whether or not it exhibits dangling H bonds is again crucial. Dangling H-bonds are provided by molecules with their plane oriented vertically, or by OH groups formed by the partial dissociation of water. By tying the two II atoms of the water molecules into strong H-bonds with pre-adsorbed O on Ru can also quench the wettability of the surface.

  7. Synthesis, spectroscopic characterization, biological screenings, DNA binding study and POM analyses of transition metal carboxylates

    Science.gov (United States)

    Uddin, Noor; Sirajuddin, Muhammad; Uddin, Nizam; Tariq, Muhammad; Ullah, Hameed; Ali, Saqib; Tirmizi, Syed Ahmed; Khan, Abdur Rehman

    2015-04-01

    This article contains the synthesis of a novel carboxylic acid derivative, its transition metal complexes and evaluation of biological applications. Six carboxylate complexes of transition metals, Zn(II) and Hg(II), have been successfully synthesized and characterized by FT-IR and NMR (1H, 13C). The ligand, HL, (4-[(2,6-Diethylphenyl)amino]-4-oxobutanoic acid) was also characterized by single crystal X-ray analysis. The complexation occurs via oxygen atoms of the carboxylate moiety. FT-IR date show the bidentate nature of the carboxylate moiety of the ligand as the Δν value in all complexes is less than that of the free ligand. The ligand and its complexes were screened for antifungal and antileishmanial activities. The results showed that the ligand and its complexes are active with few exceptions. UV-visible spectroscopy and viscometry results reveal that the ligand and its complexes interact with the DNA via intercalative mode of interaction. A new and efficient strategy to identify the pharmacophores and anti-pharmacophores sites in carboxylate derivatives for the antibacterial/antifungal activity using Petra, Osiris and Molinspiration (POM) analyses was also carried out.

  8. The effect of macromolecular crowding on the electrostatic component of barnase-barstar binding: a computational, implicit solvent-based study.

    Directory of Open Access Journals (Sweden)

    Helena W Qi

    Full Text Available Macromolecular crowding within the cell can impact both protein folding and binding. Earlier models of cellular crowding focused on the excluded volume, entropic effect of crowding agents, which generally favors compact protein states. Recently, other effects of crowding have been explored, including enthalpically-related crowder-protein interactions and changes in solvation properties. In this work, we explore the effects of macromolecular crowding on the electrostatic desolvation and solvent-screened interaction components of protein-protein binding. Our simple model enables us to focus exclusively on the electrostatic effects of water depletion on protein binding due to crowding, providing us with the ability to systematically analyze and quantify these potentially intuitive effects. We use the barnase-barstar complex as a model system and randomly placed, uncharged spheres within implicit solvent to model crowding in an aqueous environment. On average, we find that the desolvation free energy penalties incurred by partners upon binding are lowered in a crowded environment and solvent-screened interactions are amplified. At a constant crowder density (fraction of total available volume occupied by crowders, this effect generally increases as the radius of model crowders decreases, but the strength and nature of this trend can depend on the water probe radius used to generate the molecular surface in the continuum model. In general, there is huge variation in desolvation penalties as a function of the random crowder positions. Results with explicit model crowders can be qualitatively similar to those using a lowered "effective" solvent dielectric to account for crowding, although the "best" effective dielectric constant will likely depend on multiple system properties. Taken together, this work systematically demonstrates, quantifies, and analyzes qualitative intuition-based insights into the effects of water depletion due to crowding on the

  9. Dansyl-naphthalimide dyads as molecular probes: effect of spacer group on metal ion binding properties.

    Science.gov (United States)

    Shankar, Balaraman H; Ramaiah, Danaboyina

    2011-11-17

    Interaction of a few dansyl-naphthalimide conjugates 1a-e linked through polymethylene spacer groups with various metal ions was investigated through absorption, fluorescence, NMR, isothermal calorimetric (ITC), and laser flash photolysis techniques. The characteristic feature of these dyads is that they exhibit competing singlet-singlet energy transfer (SSET) and photoinduced electron transfer (PET) processes, both of which decrease with the increase in spacer length. Depending on the spacer group, these dyads interact selectively with divalent Cu(2+) and Zn(2+) ions, as compared to other mono- and divalent metal ions. Jobs plot analysis showed that these dyads form 2:3 complexes with Cu(2+) ions, while 1:1 complexes were observed with Zn(2+) ions. The association constants for the Zn(2+) and Cu(2+) complexes were determined and are found to be in the order 10(3)-10(5) M(-1). Irrespective of the length of the spacer group, these dyads interestingly act as fluorescence ratiometric molecular probes for Cu(2+) ions by altering the emission intensity of both dansyl and naphthalimide chromophores. In contrast, only the fluorescence intensity of the naphthalimide chromophore of the lower homologues (n = 1-3) was altered by Zn(2+) ions. (1)H NMR and ITC measurements confirmed the involvement of both sulfonamide and dimethylamine groups in the complexation with Cu(2+) ions, while only the latter group was involved with Zn(2+) ions. Laser excitation of the dyads 1a-e showed formation of a transient absorption which can be attributed to the radical cation of the naphthalimide chromophore, whereas only the triplet excited state of the dyads 1a-e was observed in the presence of Cu(2+) ions. Uniquely, the complexation of 1a-e with Cu(2+) ions affects both PET and SSET processes, while only the PET process was partially inhibited by Zn(2+) ions in the lower homologues (n = 1-3) and the higher homologues exhibited negligible changes in their emission properties. Our results

  10. Changes in Trace Metal Species and Other Components of the Rhizosphere During Growth of Radish

    DEFF Research Database (Denmark)

    Hamon, R. E.; Lorenz, S. E.; Holm, Peter Engelund

    1995-01-01

    Changes in the properties of soil solution in the rhizosphere of developing radish plants were investigated. Variations in these properties were expected to affect the distribution and speciation of metals in the soil and soil solution. Applications of essential nutrients were linked to plant...... transpiration rates and prevented excess addition of nutrient ions, so that subtle changes in soil solution composition would not be obscured. Soil solution pH, the concentration of dissolved organic carbon (DOC) and the concentrations of major and trace elements in solution were found to vary over time. Strict...... existing in the uncomplexed state. Changes in the concentrations of uncomplexed Cd and Zn with time gave the best correlations with changes in plant uptake of these metals over time, supporting the hypothesis that plants mainly absorb the free metal ion from soil solution....

  11. Benthic flux of nutrients and trace metals in the northern component of San Francisco Bay, California

    Science.gov (United States)

    Kuwabara, James S.; Topping, Brent R.; Parcheso, Francis; Engelstad, Anita C.; Greene, Valerie E.

    2009-01-01

    Two sets of sampling trips were coordinated in late summer 2008 (weeks of July 8 and August 6) to sample the interstitial and overlying bottom waters at 10 shallow locations (9 sites meters in depth) within the northern component of the San Francisco Bay/Delta (herein referred to as North Bay). The work was performed to better understand sources of biologically reactive solutes (namely, dissolved macronutrients and trace metals) that may affect the base of the food web in this part of the estuary. A nonmetallic pore-water profiler was used to obtain the first centimeter-scale estimates of the vertical solute-concentration gradients for diffusive-flux determinations. This study, performed in collaboration with scientists from San Francisco State University?s Romberg Tiburon Center for Environmental Studies, provides information to assist in developing and refining management strategies for the Bay/Delta system and supports efforts to monitor changes in food-web structure associated with regional habitat modifications directed by the California Bay-Delta Authority. On July 7, 2008, and August 5, 2008, pore-water profilers were successfully deployed at six North Bay sites per trip to measure the concentration gradient of dissolved macronutrients and trace metals near the sediment-water interface. Only two of the sites (433 and SSB009 within Honker Bay) were sampled in both series of profiler deployments. At each sampling site, profilers were deployed in triplicate, while discrete samples and dataloggers were used to collect ancillary data from both the water column and benthos to help interpret diffusive-flux measurements. Benthic flux of dissolved (0.2-micron filtered) inorganic phosphate (that is, soluble reactive phosphorus (SRP)) ranged from negligible levels (-0.003?0.005 millimole per square meter per day (mmole m-2d-1) at Site 4.1 outside Honker Bay) to 0.060?0.006 mmole m-2d-1 near the northern coast of Brown?s Island. Except for the elevated flux at Browns

  12. Colloidal nanoparticle size control: experimental and kinetic modeling investigation of the ligand-metal binding role in controlling the nucleation and growth kinetics.

    Science.gov (United States)

    Mozaffari, Saeed; Li, Wenhui; Thompson, Coogan; Ivanov, Sergei; Seifert, Soenke; Lee, Byeongdu; Kovarik, Libor; Karim, Ayman M

    2017-09-21

    Despite the major advancements in colloidal metal nanoparticles synthesis, a quantitative mechanistic treatment of the ligand's role in controlling their size remains elusive. We report a methodology that combines in situ small angle X-ray scattering (SAXS) and kinetic modeling to quantitatively capture the role of ligand-metal binding (with the metal precursor and the nanoparticle surface) in controlling the synthesis kinetics. We demonstrate that accurate extraction of the kinetic rate constants requires using both, the size and number of particles obtained from in situ SAXS to decouple the contributions of particle nucleation and growth to the total metal reduction. Using Pd acetate and trioctylphosphine in different solvents, our results reveal that the binding of ligands with both the metal precursor and nanoparticle surface play a key role in controlling the rates of nucleation and growth and consequently the final size. We show that the solvent can affect the metal-ligand binding and consequently ligand coverage on the nanoparticles surface which has a strong effect on the growth rate and final size (1.4 nm in toluene and 4.3 nm in pyridine). The proposed kinetic model quantitatively predicts the effects of varying the metal concentration and ligand/metal ratio on nanoparticle size for our work and literature reports. More importantly, we demonstrate that the final size is exclusively determined by the nucleation and growth kinetics at early times and not how they change with time. Specifically, the nanoparticle size in this work and many literature reports can be predicted using a single, model independent kinetic descriptor, (growth-to-nucleation rate ratio) 1/3 , despite the different metals and synthetic conditions. The proposed model and kinetic descriptor could serve as powerful tools for the design of colloidal nanoparticles with specific sizes.

  13. Metal-Binding Ability of Leu-Enkephalin, Related Glycoconjugates and Peptidomimetics

    Directory of Open Access Journals (Sweden)

    Zsuzsa Majer

    2015-12-01

    Full Text Available Both the chemistry and consequences of the nonenzymatic reaction between reducing sugars and reactive amino groups of amino acids, peptides and proteins (known as the Maillard reaction, have received considerable attention in food and health science fields. This initial reaction results in Amadori and similar products formation, followed by degradation to advanced glycation end products (AGEs. It is well established that AGEs are associated with color and odor of thermally processed or stored food, as well as with pathogen products in a number of diseases. The model systems of early stage Maillard reaction products (MRP were prepared between endogenous opioid peptide leucine enkephalin (1 and D-glucose / D-glucuronic acid. The complexation ability of prepared MRP with metal ions (Ca2+, Zn2+, Al3+, Pb2+ and Cu2+ was investigated and compared to the complexation ability of parent peptide using ECD and FTIR spectroscopic measurements.

  14. Nuclear methods applied for studies of contact phenomena in metal-fluid media and between metallic components in relative motion

    International Nuclear Information System (INIS)

    Racolta, P.M.; Popa-Simil, L.; Voiculescu, Dana; Muntele, C. I.

    1997-01-01

    The two main goals of this research project were: establishing of an activation methodology for metallic structures using accelerated beams obtained at our cyclotron and adapting the spectrometric analysis methods of the gamma radiations for corrosion level determinations. The developed methods, including the calibration (relations between the radioactivity level and the thickness of removed layer due to corrosion), were based on the remnant radioactivity measuring method. The experiments were focused on a proper selection of the nuclear reaction to be utilised for measurements, depending on the type of metallic alloys investigated. This study also consisted of optimizing the irradiation (particle, energy and dose) and cooling time so as to obtain a measuring sensitivity of 0.1-1μm for Fe, Ti, V, Cr, Cu, Mo based alloys. A portable two-channel γ-spectrometric installation was adapted to a customer's corrosion testing stand. Corrosion levels of a Romanian-made injection pump working with different types of Diesel oils and Diesel oil + special additives + water mixtures were determined. The nuclear reactions used were 56 Fe (p,n) 56 Co and 56 Fe (d,n) 57 Co. A selected area of the pump's piston was activated up to 30 μm. The testing programme was made for 300 h working times on the test stand; corrosion levels of approx. 0.3 μm were observed. In cooperation with a group from Tribology Laboratory from the Bucharest Technical University, Ti-coated pallets of a water pump were tested in their near real working environment - salty and sandy water. The 48 Ti (p,n) 48 V nuclear reaction was used for labelling a Ti thickness up to 50 μm. In this experiment, the main interest was to determine the minimum detectable corroded thickness by this radiotracer - based method. Our measurements showed that sensitivities of 0.05 - 1 μm can be achieved. In 1996, in cooperation with the National Institute for Thermal Engines, the wear of the piston ring - cylinder jacket friction

  15. Abrasive blasting, a technique for the industrial decontamination of metal components and concrete blocks from decommissioning to unconditional release levels

    International Nuclear Information System (INIS)

    Gills, R.; Lewandowski, P.; Ooms, B.; Reusen, N.; Van Laer, W.; Walthery, R.

    2007-01-01

    When decommissioning nuclear installations, large quantities of metal components are produced as well as significant amounts of other radioactive materials, which mostly show low surface contamination. Having been used or having been brought for a while in a controlled area marks them as 'suspected material'. In view of the very high costs for radioactive waste processing and disposal, alternatives have been considered, and much effort has gone to recycling through decontamination, melting and unconditional release of metals. In a broader context, recycling of materials can considered to be a first order ecological priority in order to limit the quantities of radioactive wastes for final disposal and to reduce the technical and economic problems involved with the management of radioactive wastes. It will help as well to make economic use of primary material and to conserve natural resources of basic material for future generations. In a demonstration programme, Belgoprocess has shown that it is economically interesting to decontaminate metal components to unconditional release levels using dry abrasive blasting techniques, the unit cost for decontamination being only 30 % of the global cost for radioactive waste treatment, conditioning, storage and disposal. As a result, an industrial dry abrasive blasting unit was installed in the Belgoprocess central decontamination infrastructure. At the end of December 2006, more than 1,128 Mg of contaminated metal has been treated as well as 313 Mg of concrete blocks. The paper gives an overview of the experience relating to the decontamination of metal material and concrete blocks at the decommissioning of the Eurochemic reprocessing plant in Dessel, Belgium as well from the decontamination of concrete containers by abrasive blasting. (authors)

  16. Kinetics as a tool to assess the immobilization of soil trace metals by binding phase amendments for in situ remediation purposes

    International Nuclear Information System (INIS)

    Varrault, Gilles; Bermond, Alain

    2011-01-01

    Highlights: → Assessment of the efficiency of soil remediation method by binding phase amendment. → Use of a kinetic fractionation method to assess trace metal mobility in amended soils. → Vernadite amendments are effective for lead and cadmium remediation. → IHA amendments are only effective for copper remediation. → Advantages of kinetic fractionation vs. extraction schemes performed at equilibrium. - Abstract: Many soil remediation techniques consist in decreasing the mobility of trace metals by means of adding trace metal binding phases. For this study, whose aim is to assess the efficiency of soil remediation method by binding phase amendment, a kinetic fractionation method that provides the labile and slowly labile trace metal amounts in soil has been introduced. Manganese oxides (vernadite) and insolubilized humic acids (IHA) have been used as binding phases for the remediation of four heavily polluted soils. Vernadite amendments are effective for lead and cadmium remediation, whereas IHA amendments are only effective for copper remediation. In most cases, the labile metal fractions decrease dramatically in amended soils (up to 50%); on the other hand, the amounts of total extracted metal near the point of thermodynamic equilibrium often show no significant difference between the amended soil and the control soil. These results highlight the utility of kinetic fractionation in assessing the efficiency of soil remediation techniques and, more generally, in evaluating trace metal mobility in soils and its potential advantages compared to extraction schemes performed under equilibrium conditions. In the future, this kinetic method could be considerably simplified so as to consume much less time allowing its routine use.

  17. The distribution of iron between the metal-binding sites of transferrin human serum.

    Science.gov (United States)

    Williams, J; Moreton, K

    1980-02-01

    The Makey & Seal [(1976) Biochim. Biophys. Acta 453, 250--256] method of polyacrylamide-gel electrophoresis in buffer containing 6 M-urea was used to determine the distribution of iron between the N-terminal and C-terminal iron-binding sites of transferrin in human serum. In fresh serum the two sites are unequally occupied; there is preferential occupation of the N-terminal site. On incubation of the serum at 37 degrees C the preference of iron for the N-terminal site becomes more marked. On storage of serum at -15 degrees C the iron distribution changes so that there is a marked preference for the C-terminal site. Dialysis of serum against buffer at pH 7.4 also causes iron to be bound much more strongly by the C-terminal than by the N-terminal site. The original preference for the N-terminal site can be resroted to the dialysed serum by addition of the diffusible fraction.

  18. Simultaneous measurement of trace metal and oxyanion concentrations in water using diffusive gradients in thin films with a chelex-metsorb mixed binding layer

    DEFF Research Database (Denmark)

    Panther, Jared G.; Bennett, William W.; Welsh, David T.

    2014-01-01

    A new diffusive gradients in thin films (DGT) technique with a mixed binding layer (Chelex-100 and the titanium dioxide based adsorbent Metsorb) is described for the simultaneous measurement of labile trace metal (Mn, Co, Ni, Cu, Cd, and Pb) and oxyanion (V, As, Mo, Sb, W, and P) concentrations i...

  19. Experimental Determination of pK[subscript a] Values and Metal Binding for Biomolecular Compounds Using [superscript 31]P NMR Spectroscopy

    Science.gov (United States)

    Swartz, Mason A.; Tubergen, Philip J.; Tatko, Chad D.; Baker, Rachael A.

    2018-01-01

    This lab experiment uses [superscript 31]P NMR spectroscopy of biomolecules to determine pK[subscript a] values and the binding energies of metal/biomolecule complexes. Solutions of adenosine nucleotides are prepared, and a series of [superscript 31]P NMR spectra are collected as a function of pH and in the absence and presence of magnesium or…

  20. Toward Tungsten Plasma-Facing Components in KSTAR: Research on Plasma-Metal Wall Interaction

    NARCIS (Netherlands)

    Hong, S. H.; Kim, K. M.; Song, J. H.; Bang, E. N.; Kim, H. T.; Lee, K. S.; Litnovsky, A.; Hellwig, M.; Seo, D. C.; van den Berg, M. A.; Lee, H. H.; Kang, C. S.; Lee, H. Y.; Hong, J. H.; Bak, J. G.; Kim, H. S.; Juhn, J. W.; Son, S. H.; Kim, H. K.; Douai, D.; Grisolia, C.; Wu, J.; Luo, G. N.; Choe, W. H.; Komm, M.; De Temmerman, G.; Pitts, R.

    2015-01-01

    One of the main missions of KSTAR is to develop long-pulse operation capability relevant to the production of fusion energy. After a full metal wall configuration was decided for ITER, a major upgrade for KSTAR was planned, to a tungsten first wall similar to the JET ITER-like wall (coatings and

  1. New antipollution processing of a used refining catalyst and complete recovery of the catalyst metallic components

    Energy Technology Data Exchange (ETDEWEB)

    Trinh Dinh Chan; Llido, E.

    1992-05-15

    The used refining catalyst, containing metals such as vanadium, nickel and iron, is first processed by stripping; it is then calcined in critical conditions and heat processed in the presence of a melted alkaline base; the resulting solid matter is then water processed. The antipollution process can be applied to oil fraction hydroconversion or hydroprocessing catalysts.

  2. Proceedings of the international conference on irradiation behaviour of metallic materials for fast reactor core components

    International Nuclear Information System (INIS)

    Poirier, J.; Dupouy, J.M.

    In this conference are presented papers dealing with swelling of metals and alloys, (and specially ferritic steels), structural evolution and stability under irradiation, modifications of mechanical properties, consequences on the behaviour of fuel elements and the optimization of materials selection, and irradiation creep [fr

  3. Dual energy CT inspection of a carbon fibre reinforced plastic composite combined with metal components

    Czech Academy of Sciences Publication Activity Database

    Vavřík, Daniel; Jakůbek, J.; Kumpová, Ivana; Pichotka, M.

    6, Part B, November (2016), s. 47-55 ISSN 2214-6571 R&D Projects: GA MŠk(CZ) LO1219; GA ČR(CZ) GA15-07210S Keywords : dual energy computed tomography * carbon fibre reinforced plastic composite * metal artefact suppression Subject RIV: JI - Composite Material s http://www.sciencedirect.com/science/article/pii/S2214657116300107

  4. Application of amorphous filler metals in production of fusion reactor high heat flux components

    Energy Technology Data Exchange (ETDEWEB)

    Kalin, B A [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Fedotov, V T [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Grigoriev, A E [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Sevriukov, O N [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Pliushev, A N [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Skuratov, L A [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Polsky, V I [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Yakushin, V L [Moskovskij Inzhenerno-Fizicheskij Inst., Moscow (Russian Federation); Virgiliev, Yu S [State Research Institute of Graphite, Electrodnaya St. 2, 115524 Moscow (Russian Federation); Vasiliev, V L [TRINITI, Troitsk, 142092 Moscow District (Russian Federation); Tserevitinov, S S [TRINITI, Troitsk, 142092 Moscow District (Russian Federation)

    1995-03-01

    Amorphous ribbon-type filler metals represent a promising facility for fastening heterogeneous materials together. The advantage results from the homogeneity of element and phase compositions and the strictly specified geometrical dimensions of such fillers. Amorphous fillers Zr-Ti-Fe-Be, Zr-Ti-Ni-Cu and Ti-Zr-Ni-Cu and microcrystalline fillers Al-Si and Cu-Sn-Mn-In-Ni were produced by quenching at a rate of about 10{sup 6}Ks{sup -1}. Brazing of graphite with metals (Cu+MPG-6, Cu+RGT, Mo+MIG-1, V+MIG-1, V+RGT) was accomplished using ribbon-type fillers. Two types of metal-based samples were produced in the form of plates and rakes. The rakes were made by brazing three small graphite bars to the metal, the 2mm space between the bars being 0.25 of the bar height. The results of metallographic studies of the brazing zone and of tests on brazed structures treated by pulsed energy fluxes are discussed. (orig.).

  5. RNA-binding domain of the A protein component of the U1 small nuclear ribonucleoprotein analyzed by NMR spectroscopy is structurally similar to ribosomal proteins

    International Nuclear Information System (INIS)

    Hoffman, D.W.; Query, C.C.; Golden, B.L.; White, S.W.; Keene, J.D.

    1991-01-01

    An RNA recognition motif (RRM) of ∼80 amino acids constitutes the core of RNA-binding domains found in a large family of proteins involved in RNA processing. The U1 RNA-binding domain of the A protein component of the human U1 small nuclear ribonucleoprotein (RNP), which encompasses the RRM sequence, was analyzed by using NMR spectroscopy. The domain of the A protein is a highly stable monomer in solution consisting of four antiparallel β-strands and two α-helices. The highly conserved RNP1 and RNP2 consensus sequences, containing residues previously suggested to be involved in nucleic acid binding, are juxtaposed in adjacent β-strands. Conserved aromatic side chains that are critical for RNA binding are clustered on the surface to the molecule adjacent to a variable loop that influences recognition of specific RNA sequences. The secondary structure and topology of the RRM are similar to those of ribosomal proteins L12 and L30, suggesting a distant evolutionary relationship between these two types of RNA-associated proteins

  6. Variation in one residue associated with the metal ion-dependent adhesion site regulates αIIbβ3 integrin ligand binding affinity.

    Directory of Open Access Journals (Sweden)

    Joel Raborn

    Full Text Available The Asp of the RGD motif of the ligand coordinates with the β I domain metal ion dependent adhesion site (MIDAS divalent cation, emphasizing the importance of the MIDAS in ligand binding. There appears to be two distinct groups of integrins that differ in their ligand binding affinity and adhesion ability. These differences may be due to a specific residue associated with the MIDAS, particularly the β3 residue Ala(252 and corresponding Ala in the β1 integrin compared to the analogous Asp residue in the β2 and β7 integrins. Interestingly, mutations in the adjacent to MIDAS (ADMIDAS of integrins α4β7 and αLβ2 increased the binding and adhesion abilities compared to the wild-type, while the same mutations in the α2β1, α5β1, αVβ3, and αIIbβ3 integrins demonstrated decreased ligand binding and adhesion. We introduced a mutation in the αIIbβ3 to convert this MIDAS associated Ala(252 to Asp. By combination of this mutant with mutations of one or two ADMIDAS residues, we studied the effects of this residue on ligand binding and adhesion. Then, we performed molecular dynamics simulations on the wild-type and mutant αIIbβ3 integrin β I domains, and investigated the dynamics of metal ion binding sites in different integrin-RGD complexes. We found that the tendency of calculated binding free energies was in excellent agreement with the experimental results, suggesting that the variation in this MIDAS associated residue accounts for the differences in ligand binding and adhesion among different integrins, and it accounts for the conflicting results of ADMIDAS mutations within different integrins. This study sheds more light on the role of the MIDAS associated residue pertaining to ligand binding and adhesion and suggests that this residue may play a pivotal role in integrin-mediated cell rolling and firm adhesion.

  7. Development of tissue print binding assay for detection of trace metals in tissue

    International Nuclear Information System (INIS)

    Umemiya, Yoshiaki; Hiraoka, Kiyoshi; Nakamura, Yuri; Murakami, Yuriko; Kusaba, Shinnosuke; Honda, Chikako

    2000-01-01

    Distribution of 65 Zn, a tracer added to an apple tree was investigated to clarify the correlation between excess-Zn disease and Zn-binding protein. For a short-term treatment with Zn at 100 ppm, browning lesion at leaf margin was observed both in mature and immature leaves of apple tree after 10 days from the treatment, but the lesion did not lead to death. The absorption pattern of 65 Zn into the tree was not different between the treatments at 0.1 and 1.0 ppm and the amount of absorption was lower in the order of thin root, immature leaf, straight root, stem, upper part and lower part of mature leaf. Whereas for the area treated at 1 ppm, the absorption amount decreased in the order of thin root, straight root, immature leaf, stem, upper part and lower part of leaf. In either of the test areas, Zn absorption per dry weight was the most in thin roots. As increasing Zn concentration, the incorporation of labeled Zn into the immature leaves was decreased in thin root as well as the terrestrial part. The count incorporation into the upper part of mature leaves was about 10 to 20 % of that of the lower part. These results indicated that Zn was much abundantly incorporated into immature leaf and thin roots, in which metabolic activities were high compared to other regions of the tree. Zn concentration in its fruit under the ordinary culture conditions was 4-21 ppm, which was similar to the concentrations of Mn, Cu and Fe. This tendency was similar to those of other fruits including other varieties of apples and pears. (M.N.)

  8. Thermal hydraulic considerations in liquid-metal-cooled components of tokamak fusion reactors

    International Nuclear Information System (INIS)

    Picologlou, B.F.; Reed, C.B.; Hua, T.Q.

    1989-01-01

    The basic considerations of MHD thermal hydraulics for liquid-metal-cooled blankets and first walls of tokamak fusion reactors are discussed. The liquid-metal MHD program of Argonne National Laboratory (ANL) dedicated to analytical and experimental investigations of reactor relevant MHD flows and development of relevant thermal hydraulic design tools is presented. The status of the experimental program and examples of local velocity measurements are given. An account of the MHD codes developed to date at ANL is also presented as is an example of a 3-D thermal hydraulic analysis carried out with such codes. Finally, near term plans for experimental investigations and code development are outlined. 20 refs., 8 figs., 1 tab

  9. Development of Robust Metal-Supported SOFCs and Stack Components in EU METSAPP Consortium

    DEFF Research Database (Denmark)

    Sudireddy, Bhaskar Reddy; Nielsen, Jimmi; Persson, Åsa Helen

    2017-01-01

    METSAPP project has been executed with an overall aim of developing advanced metal-supported cells and stacks based on a robust, reliable and up-scalable technology. During the project, oxidation resistant nanostructured anodes based on modified SrTiO3 were developed and integrated into MS...... and best performance and stability combination was observed with doped SrTiO3 based anode designs. Furthermore, numerical models to understand the corrosion behavior of the MS-SOFCs were developed and validated. Finally, the cost effective concept of coated metal interconnects was developed, which resulted...... in 90% reduction in Cr evaporation, three times lower Cr2O3 scale thickness and increased lifetime. The possibility of assembling these cells into two radically different stack designs was demonstrated....

  10. A flexible metallic actuator using reduced graphene oxide as a multifunctional component.

    Science.gov (United States)

    Meng, Junxing; Mu, Jiuke; Hou, Chengyi; Zhang, Qinghong; Li, Yaogang; Wang, Hongzhi

    2017-09-14

    Flexible actuators are widely in demand for many real-life applications. Considering that existing actuators based on polymers, low-dimensional materials and pore-rich materials are mostly limited by slow response rate, high driving voltage and poor stability, we report here a novel metal based flexible actuator which is fabricated simply through partial oxidation and nano-function of copper foil with the assistance of reduced graphene oxide. The obtained asymmetric metallic actuator is (electric-)thermally driven and exhibits fast response rate (∼2 s) and large curvature (2.4 cm -1 ) under a low voltage (∼1 V) with a sustainable operation of up to ∼50 000 cycles. The actuator can also be triggered by infrared irradiation and direct-heating under various conditions including air, water, and vacuum.

  11. Borreliacidal activity of Borrelia metal transporter A (BmtA binding small molecules by manganese transport inhibition

    Directory of Open Access Journals (Sweden)

    Wagh D

    2015-02-01

    Full Text Available Dhananjay Wagh,* Venkata Raveendra Pothineni,* Mohammed Inayathullah, Song Liu, Kwang-Min Kim, Jayakumar Rajadas Biomaterials and Advanced Drug Delivery Laboratory, Stanford Cardiovascular Pharmacology Division, Cardiovascular Institute, Stanford University School of Medicine, Palo Alto, CA, USA *These authors contributed equally to this work  Abstract: Borrelia burgdorferi, the causative agent of Lyme disease, utilizes manganese (Mn for its various metabolic needs. We hypothesized that blocking Mn transporter could be a possible approach to inhibit metabolic activity of this pathogen and eliminate the infection. We used a combination of in silico protein structure prediction together with molecular docking to target the Borrelia metal transporter A (BmtA, a single known Mn transporter in Borrelia and screened libraries of FDA approved compounds that could potentially bind to the predicted BmtA structure with high affinity. Tricyclic antihistamines such as loratadine, desloratadine, and 3-hydroxydesloratadine as well as yohimbine and tadalafil demonstrated a tight binding to the in silico folded BmtA transporter. We, then, tested borreliacidal activity and dose response of the shortlisted compounds from this screen using a series of in vitro assays. Amongst the probed compounds, desloratadine exhibited potent borreliacidal activity in vitro at and above 78 µg/mL (250 µM. Borrelia treated with lethal doses of desloratadine exhibited a significant loss of intracellular Mn specifically and a severe structural damage to the bacterial cell wall. Our results support the possibility of developing a novel, targeted therapy to treat Lyme disease by targeting specific metabolic needs of Borrelia.  Keywords: Lyme disease, BmtA, Borrelia burgdorferi, desloratadine, Bac Titer-Glo assay

  12. TOWARD TUNGSTEN PLASMA-FACING COMPONENTS IN KSTAR: RESEARCH ON PLASMA-METAL WALL INTERACTION

    Czech Academy of Sciences Publication Activity Database

    Hong, S.-H.; Kim, K.M.; Song, J.-H.; Bang, E.-N.; Kim, H.-T.; Lee, K.-S.; Litnovsky, A.; Hellwig, M.; Seo, D.C.; Lee, H.H.; Kang, C.S.; Lee, H.-Y.; Hong, J.-H.; Bak, J.-G.; Kim, H.-S.; Juhn, J.-W.; Son, S.-H.; Kim, H.-K.; Douai, D.; Grisolia, C.; Wu, J.; Luo, G.-N.; Choe, W.-H.; Komm, Michael; van den Berg, M.; De Temmerman, G.; Pitts, R.

    2015-01-01

    Roč. 68, č. 1 (2015), s. 36-43 ISSN 1536-1055. [International Conference on Open Magnetic Systems for Plasma Confinement (OS 2014)/10./. Daejeon, 26.08.2014-29.08.2014] Institutional support: RVO:61389021 Keywords : Plasma-metal wall interaction * Tungsten technology Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 0.799, year: 2015 http://dx.doi.org/10.13182/FST14-897

  13. Effect of metal surface composition on deposition behavior of stainless steel component dissolved in liquid sodium

    International Nuclear Information System (INIS)

    Yokota, Norikatsu; Shimoyashiki, Shigehiro

    1988-01-01

    Deposition behavior of corrosion products has been investigated to clarify the effect of metal surface composition on the deposition process in liquid sodium. For the study a sodium loop made of Type 304 stainless steel was employed. Deposition test pieces, which were Type 304 stainless steel, iron, nickel or Inconel 718, were immersed in the sodium pool of the test pot. Corrosion test pieces, which were Type 304 stainless steel, 50 at% Fe-50 at%Mn and Inconel 718, were set in a heater pin assembly along the axial direction of the heater pin surface. Sodium temperatures at the outlet and inlet of the heater pin assembly were controlled at 943 and 833 K, respectively. Sodium was purified at a cold trap temperature of 393 K and the deposition test was carried out for 4.3 x 10 2 - 2.9 x 10 4 ks. Several crystallized particles were observed on the surface of the deposition test pieces. The particles had compositions and crystal structures which depended on both the composition of deposition test pieces and the concentration of iron and manganese in sodium. Only iron-rich particles having a polyhedral shape deposited on the iron surface. Two types of particles, iron-rich α-phase and γ-phase with nearly the same composition as stainless steel, were deposited on Type 304 stainless steel. A Ni-Mn alloy was deposited on the nickel surface in the case of a higher concentration of manganese in sodium. On the other hand, for a lower manganese concentration, a Fe-Ni alloy was precipitated on the nickel surface. Particles deposited on nickel had a γ-phase crystal structure similar to the deposition test piece of nickel. Hence, the deposition process can be explained as follows: Corrosion products in liquid sodium were deposited on the metal surface by forming a metal alloy selectively with elements of the metal surface. (author)

  14. Development of Robust Metal-Supported SOFCs and Stack Components in EU METSAPP Consortium

    DEFF Research Database (Denmark)

    Sudireddy, Bhaskar Reddy; Nielsen, Jimmi; Persson, Åsa Helen

    2017-01-01

    -SOFCs to enhance their robustness. In addition, the manufacturing of metal-supported cells with different geometries, scalability of the manufacturing process was demonstrated and more than 200 cells with an area of ∼150 cm2 were produced. The electrochemical performance of different cell generations was evaluated...... in 90% reduction in Cr evaporation, three times lower Cr2O3 scale thickness and increased lifetime. The possibility of assembling these cells into two radically different stack designs was demonstrated....

  15. Novel bis-(−)-nor-meptazinol derivatives act as dual binding site AChE inhibitors with metal-complexing property

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Wei [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); NPFPC Key Laboratory of Contraceptives and Devices, Shanghai Institute of Planned Parenthood Research, 2140 Xietu Road, Shanghai 200032 (China); Li, Juan [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Qiu, Zhuibai [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); Xia, Zheng [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Li, Wei [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); Yu, Lining; Chen, Hailin; Chen, Jianxing [NPFPC Key Laboratory of Contraceptives and Devices, Shanghai Institute of Planned Parenthood Research, 2140 Xietu Road, Shanghai 200032 (China); Chen, Yan; Hu, Zhuqin; Zhou, Wei; Shao, Biyun; Cui, Yongyao [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China); Xie, Qiong, E-mail: xiejoanxq@gmail.com [Department of Medicinal Chemistry, School of Pharmacy, Fudan University, 826 Zhangheng Road, Shanghai 200032 (China); Chen, Hongzhuan, E-mail: yaoli@shsmu.edu.cn [Department of Pharmacology, Institute of Medical Sciences, Shanghai Jiaotong University School of Medicine, 280 South Chongqing Road, Shanghai 200025 (China)

    2012-10-01

    The strategy of dual binding site acetylcholinesterase (AChE) inhibition along with metal chelation may represent a promising direction for multi-targeted interventions in the pathophysiological processes of Alzheimer's disease (AD). In the present study, two derivatives (ZLA and ZLB) of a potent dual binding site AChE inhibitor bis-(−)-nor-meptazinol (bis-MEP) were designed and synthesized by introducing metal chelating pharmacophores into the middle chain of bis-MEP. They could inhibit human AChE activity with IC{sub 50} values of 9.63 μM (for ZLA) and 8.64 μM (for ZLB), and prevent AChE-induced amyloid-β (Aβ) aggregation with IC{sub 50} values of 49.1 μM (for ZLA) and 55.3 μM (for ZLB). In parallel, molecular docking analysis showed that they are capable of interacting with both the catalytic and peripheral anionic sites of AChE. Furthermore, they exhibited abilities to complex metal ions such as Cu(II) and Zn(II), and inhibit Aβ aggregation triggered by these metals. Collectively, these results suggest that ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency, and may be potential leads of value for further study on disease-modifying treatment of AD. -- Highlights: ► Two novel bis-(−)-nor-meptazinol derivatives are designed and synthesized. ► ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency. ► They are potential leads for disease-modifying treatment of Alzheimer's disease.

  16. Novel bis-(−)-nor-meptazinol derivatives act as dual binding site AChE inhibitors with metal-complexing property

    International Nuclear Information System (INIS)

    Zheng, Wei; Li, Juan; Qiu, Zhuibai; Xia, Zheng; Li, Wei; Yu, Lining; Chen, Hailin; Chen, Jianxing; Chen, Yan; Hu, Zhuqin; Zhou, Wei; Shao, Biyun; Cui, Yongyao; Xie, Qiong; Chen, Hongzhuan

    2012-01-01

    The strategy of dual binding site acetylcholinesterase (AChE) inhibition along with metal chelation may represent a promising direction for multi-targeted interventions in the pathophysiological processes of Alzheimer's disease (AD). In the present study, two derivatives (ZLA and ZLB) of a potent dual binding site AChE inhibitor bis-(−)-nor-meptazinol (bis-MEP) were designed and synthesized by introducing metal chelating pharmacophores into the middle chain of bis-MEP. They could inhibit human AChE activity with IC 50 values of 9.63 μM (for ZLA) and 8.64 μM (for ZLB), and prevent AChE-induced amyloid-β (Aβ) aggregation with IC 50 values of 49.1 μM (for ZLA) and 55.3 μM (for ZLB). In parallel, molecular docking analysis showed that they are capable of interacting with both the catalytic and peripheral anionic sites of AChE. Furthermore, they exhibited abilities to complex metal ions such as Cu(II) and Zn(II), and inhibit Aβ aggregation triggered by these metals. Collectively, these results suggest that ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency, and may be potential leads of value for further study on disease-modifying treatment of AD. -- Highlights: ► Two novel bis-(−)-nor-meptazinol derivatives are designed and synthesized. ► ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency. ► They are potential leads for disease-modifying treatment of Alzheimer's disease.

  17. A novel mechanism of “metal gel-shift” by histidine-rich Ni2+-binding Hpn protein from Helicobacter pylori strain SS1

    Science.gov (United States)

    Ito, Yuki; Masumoto, Junya; Morita, Eugene Hayato; Hayashi, Hidenori

    2017-01-01

    Sodium dodecyl sulphate-polyacrylamide gel electrophoresis (SDS-PAGE) is a universally used method for determining approximate molecular weight (MW) in protein research. Migration of protein that does not correlate with formula MW, termed “gel shifting” appears to be common for histidine-rich proteins but not yet studied in detail. We investigated “gel shifting” in Ni2+-binding histidine-rich Hpn protein cloned from Helicobacter pylori strain SS1. Our data demonstrate two important factors determining “gel shifting” of Hpn, polyacrylamide-gel concentration and metal binding. Higher polyacrylamide-gel concentrations resulted in faster Hpn migration. Irrespective of polyacrylamide-gel concentration, preserved Hpn-Ni2+ complex migrated faster (3–4 kDa) than apo-Hpn, phenomenon termed “metal gel-shift” demonstrating an intimate link between Ni2+ binding and “gel shifting”. To examine this discrepancy, eluted samples from corresponding spots on SDS-gel were analyzed by matrix-assisted laser desorption/ionization-time-of-flight mass spectrometry (MALDI-TOF-MS). The MW of all samples was the same (6945.66±0.34 Da) and identical to formula MW with or without added mass of Ni2+. MALDI-TOF-MS of Ni2+-treated Hpn revealed that monomer bound up to six Ni2+ ions non-cooperatively, and equilibrium between protein-metal species was reliant on Ni2+ availability. This corroborates with gradually increased heterogeneity of apo-Hpn band followed by compact "metal-gel shift" band on SDS-PAGE. In view of presented data metal-binding and “metal-gel shift” models are discussed. PMID:28207866

  18. Insights for aging management of light water reactor components: Metal containments

    International Nuclear Information System (INIS)

    Shah, V.N.; Sinha, U.P.; Smith, S.K.

    1994-03-01

    This report evaluates the available technical information and field experience related to management of aging damage to light water reactor metal containments. A generic aging management approach is suggested for the effective and comprehensive aging management of metal containments to ensure their safe operation. The major concern is corrosion of the embedded portion of the containment vessel and detection of this damage. The electromagnetic acoustic transducer and half-cell potential measurement are potential techniques to detect corrosion damage in the embedded portion of the containment vessel. Other corrosion-related concerns include inspection of corrosion damage on the inaccessible side of BWR Mark I and Mark II containment vessels and corrosion of the BWR Mark I torus and emergency core cooling system piping that penetrates the torus, and transgranular stress corrosion cracking of the penetration bellows. Fatigue-related concerns include reduction in the fatigue life (a) of a vessel caused by roughness of the corroded vessel surface and (b) of bellows because of any physical damage. Maintenance of surface coatings and sealant at the metal-concrete interface is the best protection against corrosion of the vessel

  19. Metal compounds in zeolites as active components of chemisorption and catalysis. Quantum chemical approach

    International Nuclear Information System (INIS)

    Zhidomirov, G.M.

    1996-01-01

    A short review of possible catalitic active sites associated with various types of metal species in zoolite is presented. The structural and electronic peculiarity of aluminum ions in zeolite lattice and their distribution in the lattice are discussed on the basis of quantum chemical calculations in connection with the formation of Broensted activity of zeolites. Various molecular models of Lewis Acid Sites associated the extra-lattice oxide-hydroxide aluminum species have been investigated by means of density functional model cluster calculations using CO molecule as a probe. Probable ways of formation of the selective oxidation center in FeZSM-5 by decomposition of dinitrogen monoxide have been studied by ab-initio quantum chemical calculations. The immediate oxidizing site is reasonably represented by the binuclear iron-hydroxide cluster with peroxo-like fragment located between iron atoms. Various probable intermediates of the selective oxidation center formation resulted from interaction of a hydroperoxide molecule with a lattice titanium ion in titanium silicalite have been investigated by quantum chemical calculations. It was concluded that this reaction requires essential structural reconstruction in the vicinity of the titanium ion. Probability of this structural reconstruction is discussed. Possible reasons of an electron-deficient and electron-enriched state of metal particles entrapped in zoolite cavities are discussed. Also, various probable molecular models of such modified metal particles in zeolite are considered

  20. Modelling and numerical simulation of Supercritical CO2 debinding of Inconel 718 components elaborated by Metal Injection Molding

    Directory of Open Access Journals (Sweden)

    Aboubakry Agne

    2017-10-01

    Full Text Available A debinding step using the supercritical state of a fluid has been increasingly investigated for extracting organic binders from components obtained by metal-injection molding. It consists of placing the component in an enclosure subjected to pressure and temperatures higher than the critical point to perform polymer extraction of the Metal-injection molding (MIM component. It is an alternative to conventional solvent debinding. The topic of this study is to model and simulate the supercritical debinding stage to elucidate the mechanism of polymer degradation and stabilization with a three-dimensional model. Modelling this extraction process would optimize the process on an industrial scale. It can be physically described by Fick’s law of diffusion. The model’s main parameter is the diffusion coefficient, which is identified by using linear regression based on the least-squares method. In the model, an effective length scale is specially developed to take into account the diffusion in all directions. The tests were performed for extracting polyethylene glycol, an organic additive, using supercritical CO2 in injected components. The feedstock is composed of polypropylene, polyethylene glycol, and stearic-acid as binder mixed with Inconel 718 super-alloy powders. The identified parameters were used to calculate the diffusion coefficient and simulate the supercritical debinding step on the Comsol Multiphysics® finite-element software platform to predict the remaining binder. The obtained numerical simulation results are in good agreement with the experimental data. The proposed numerical simulations allow for the determination of the remaining polyethylene glycol (PEG binder distribution with respect to processing parameters for components during the supercritical debinding process at any time. Moreover, this approach can be used in other formulation, powder, and binder systems.

  1. UTSA-74: A MOF-74 Isomer with Two Accessible Binding Sites per Metal Center for Highly Selective Gas Separation

    KAUST Repository

    Luo, Feng

    2016-04-26

    A new metal-organic framework Zn2(H2O)-(dobdc)·0.5(H2O) (UTSA-74, H4dobdc = 2,5-dioxido-1,4-benzenedicarboxylic acid), Zn-MOF-74/CPO-27-Zn isomer, has been synthesized and structurally characterized. It has a novel four coordinated fgl topology with one-dimensional channels of about 8.0 Å. Unlike metal sites in the wellestablished MOF-74 with a rod-packing structure in which each of them is in a five coordinate square pyramidal coordination geometry, there are two different Zn2+ sites within the binuclear secondary building units in UTSA-74 in which one of them (Zn1) is in a tetrahedral while another (Zn2) in an octahedral coordination geometry. After activation, the two axial water molecules on Zn2 sites can be removed, generating UTSA-74a with two accessible gas binding sites per Zn2 ion. Accordingly, UTSA-74a takes up a moderately high and comparable amount of acetylene (145 cm3/cm3) to Zn-MOF-74. Interestingly, the accessible Zn2+ sites in UTSA-74a are bridged by carbon dioxide molecules instead of being terminally bound in Zn-MOF-74, so UTSA-74a adsorbs a much smaller amount of carbon dioxide (90 cm3/cm3) than Zn-MOF-74 (146 cm3/cm3) at room temperature and 1 bar, leading to a superior MOF material for highly selective C2H2/CO2 separation. X-ray crystal structures, gas sorption isotherms, molecular modeling, and simulated and experimental breakthroughs comprehensively support this result. © 2016 American Chemical Society.

  2. Structural properties of metal-organic frameworks within the density-functional based tight-binding method

    Energy Technology Data Exchange (ETDEWEB)

    Lukose, Binit; Supronowicz, Barbara; Kuc, Agnieszka B.; Heine, Thomas [School of Engineering and Science, Jacobs University Bremen (Germany); Petkov, Petko S.; Vayssilov, Georgi N. [Faculty of Chemistry, University of Sofia (Bulgaria); Frenzel, Johannes [Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum (Germany); Seifert, Gotthard [Physikalische Chemie, Technische Universitaet Dresden (Germany)

    2012-02-15

    Density-functional based tight-binding (DFTB) is a powerful method to describe large molecules and materials. Metal-organic frameworks (MOFs), materials with interesting catalytic properties and with very large surface areas, have been developed and have become commercially available. Unit cells of MOFs typically include hundreds of atoms, which make the application of standard density-functional methods computationally very expensive, sometimes even unfeasible. The aim of this paper is to prepare and to validate the self-consistent charge-DFTB (SCC-DFTB) method for MOFs containing Cu, Zn, and Al metal centers. The method has been validated against full hybrid density-functional calculations for model clusters, against gradient corrected density-functional calculations for supercells, and against experiment. Moreover, the modular concept of MOF chemistry has been discussed on the basis of their electronic properties. We concentrate on MOFs comprising three common connector units: copper paddlewheels (HKUST-1), zinc oxide Zn{sub 4}O tetrahedron (MOF-5, MOF-177, DUT-6 (MOF-205)), and aluminum oxide AlO{sub 4}(OH){sub 2} octahedron (MIL-53). We show that SCC-DFTB predicts structural parameters with a very good accuracy (with less than 5% deviation, even for adsorbed CO and H{sub 2}O on HKUST-1), while adsorption energies differ by 12 kJ mol{sup -1} or less for CO and water compared to DFT benchmark calculations. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  3. The Arabidopsis GAGA-Binding Factor BASIC PENTACYSTEINE6 Recruits the POLYCOMB-REPRESSIVE COMPLEX1 Component LIKE HETEROCHROMATIN PROTEIN1 to GAGA DNA Motifs.

    Science.gov (United States)

    Hecker, Andreas; Brand, Luise H; Peter, Sébastien; Simoncello, Nathalie; Kilian, Joachim; Harter, Klaus; Gaudin, Valérie; Wanke, Dierk

    2015-07-01

    Polycomb-repressive complexes (PRCs) play key roles in development by repressing a large number of genes involved in various functions. Much, however, remains to be discovered about PRC-silencing mechanisms as well as their targeting to specific genomic regions. Besides other mechanisms, GAGA-binding factors in animals can guide PRC members in a sequence-specific manner to Polycomb-responsive DNA elements. Here, we show that the Arabidopsis (Arabidopsis thaliana) GAGA-motif binding factor protein basic pentacysteine6 (BPC6) interacts with like heterochromatin protein1 (LHP1), a PRC1 component, and associates with vernalization2 (VRN2), a PRC2 component, in vivo. By using a modified DNA-protein interaction enzyme-linked immunosorbant assay, we could show that BPC6 was required and sufficient to recruit LHP1 to GAGA motif-containing DNA probes in vitro. We also found that LHP1 interacts with VRN2 and, therefore, can function as a possible scaffold between BPC6 and VRN2. The lhp1-4 bpc4 bpc6 triple mutant displayed a pleiotropic phenotype, extreme dwarfism and early flowering, which disclosed synergistic functions of LHP1 and group II plant BPC members. Transcriptome analyses supported this synergy and suggested a possible function in the concerted repression of homeotic genes, probably through histone H3 lysine-27 trimethylation. Hence, our findings suggest striking similarities between animal and plant GAGA-binding factors in the recruitment of PRC1 and PRC2 components to Polycomb-responsive DNA element-like GAGA motifs, which must have evolved through convergent evolution. © 2015 American Society of Plant Biologists. All Rights Reserved.

  4. FecB, a periplasmic ferric-citrate transporter from E. coli, can bind different forms of ferric-citrate as well as a wide variety of metal-free and metal-loaded tricarboxylic acids.

    Science.gov (United States)

    Banerjee, Sambuddha; Paul, Subrata; Nguyen, Leonard T; Chu, Byron C H; Vogel, Hans J

    2016-01-01

    The Escherichia coli Fec system, consisting of an outer membrane receptor (FecA), a periplasmic substrate binding protein (FecB) and an inner membrane permease-ATPase type transporter (FecC/D), plays an important role in the uptake and transport of Fe(3+)-citrate. Although several FecB sequences from various organisms have been reported, there are no biophysical or structural data available for this protein to date. In this work, using isothermal titration calorimetry (ITC), we report for the first time the ability of FecB to bind different species of Fe(3+)-citrate as well as other citrate complexes with trivalent (Ga(3+), Al(3+), Sc(3+) and In(3+)) and a representative divalent metal ion (Mg(2+)) with low μM affinity. Interestingly, ITC experiments with various iron-free di- and tricarboxylic acids show that FecB can bind tricarboxylates with μM affinity but not biologically relevant dicarboxylates. The ability of FecB to bind with metal-free citrate is also observed in (1)H,(15)N HSQC-NMR titration experiments reported here at two different pH values. Further, differential scanning calorimetry (DSC) experiments indicate that the ligand-bound form of FecB has greater thermal stability than ligand-free FecB under all pH and ligand conditions tested, which is consistent with the idea of domain closure subsequent to ligand binding for this type of periplasmic binding proteins.

  5. Additive manufacturing of Ti-6Al-4V components by shaped metal deposition: Microstructure and mechanical properties

    International Nuclear Information System (INIS)

    Baufeld, Bernd; Biest, Omer Van der; Gault, Rosemary

    2010-01-01

    Shaped metal deposition (SMD) is a relatively new technology of additive manufacturing, which creates near-net shaped components by additive manufacture utilizing tungsten inert gas welding. Especially for Ti alloys, which are difficult to shape by traditional methods and for which the loss of material during machining is also very costly, SMD has great advantages. In the case of Ti-6Al-4V the dense SMD components exhibit large, columnar prior β grains, with a Widmanstaetten α/β microstructure. These prior β grains are slightly tilted in a direction following the temperature field resulting from the moving welding torch. The ultimate tensile strength is between 929 and 1014 MPa, depending on orientation and location of the tensile specimens. Tensile testing vertically to the deposition layers exhibits a strain at failure of 16 ± 3%, while testing parallel to the layers gives a lower value of about 9%.

  6. Field Evaluations of Low-Frequency SAFT-UT on Cast Stainless Steel and Dissimilar Metal Weld Components

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, Aaron A.; Harris, R. V.; Doctor, Steven R.

    2008-11-01

    This report documents work performed at the Pacific Northwest National Laboratory (PNNL) in Richland, Washington, and at the Electric Power Research Institute's (EPRI) Nondestructive Examination (NDE) Center in Charlotte, North Carolina, on evalutating a low frequency ultrasonic inspection technique used for examination of cast stainless steel (CSS) and dissimilar metal (DMW) reactor piping components. The technique uses a zone-focused, multi-incident angle, low frequency (250-450 kHz) inspection protocol coupled with the synthetic aperture focusing technique (SAFT). The primary focus of this work is to provide information to the United States Nuclear Regulatory Commission on the utility, effectiveness and reliability of ultrasonic testing (UT) inspection techniques as related to the inservice ultrasonic inspection of coarse grained primary piping components in pressurized water reactors (PWRs).

  7. A study of organic binding of incorporated tritium by means of the organic components of human urine

    International Nuclear Information System (INIS)

    Szilagyi, M.

    1976-01-01

    The change in tritium activity of metabolytic fractions of urine of persons working in the production of tritium labelled compounds was studied. The radioactivity of the separated fractions was measured during a 20 day period. A carbamide fraction proved to be the most sensitive to incorporative cases owing to its organic component fractioned together with the carbamide. (K.A.)

  8. Expression and purification of recombinant proteins in Escherichia coli tagged with the metal-binding protein CusF.

    Science.gov (United States)

    Cantu-Bustos, J Enrique; Vargas-Cortez, Teresa; Morones-Ramirez, Jose Ruben; Balderas-Renteria, Isaias; Galbraith, David W; McEvoy, Megan M; Zarate, Xristo

    2016-05-01

    Production of recombinant proteins in Escherichia coli has been improved considerably through the use of fusion proteins, because they increase protein solubility and facilitate purification via affinity chromatography. In this article, we propose the use of CusF as a new fusion partner for expression and purification of recombinant proteins in E. coli. Using a cell-free protein expression system, based on the E. coli S30 extract, Green Fluorescent Protein (GFP) was expressed with a series of different N-terminal tags, immobilized on self-assembled protein microarrays, and its fluorescence quantified. GFP tagged with CusF showed the highest fluorescence intensity, and this was greater than the intensities from corresponding GFP constructs that contained MBP or GST tags. Analysis of protein production in vivo showed that CusF produces large amounts of soluble protein with low levels of inclusion bodies. Furthermore, fusion proteins can be exported to the cellular periplasm, if CusF contains the signal sequence. Taking advantage of its ability to bind copper ions, recombinant proteins can be purified with readily available IMAC resins charged with this metal ion, producing pure proteins after purification and tag removal. We therefore recommend the use of CusF as a viable alternative to MBP or GST as a fusion protein/affinity tag for the production of soluble recombinant proteins in E. coli. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Mechanical properties of sheet metal components with local reinforcement produced by additive manufacturing

    Science.gov (United States)

    Ünsal, Ismail; Hama-Saleh, R.; Sviridov, Alexander; Bambach, Markus; Weisheit, A.; Schleifenbaum, J. H.

    2018-05-01

    New technological challenges like electro-mobility pose an increasing demand for cost-efficient processes for the production of product variants. This demand opens the possibility to combine established die-based manufacturing methods and innovative, dieless technologies like additive manufacturing [1, 2]. In this context, additive manufacturing technologies allow for the weight-efficient local reinforcement of parts before and after forming, enabling manufacturers to produce product variants from series parts [3]. Previous work by the authors shows that the optimal shape of the reinforcing structure can be determined using sizing optimization. Sheet metal parts can then be reinforced using laser metal deposition. The material used is a pearlite-reduced, micro-alloyed steel (ZE 630). The aim of this paper is to determine the effect of the additive manufacturing process on the material behavior and the mechanical properties of the base material and the resulting composite material. The parameters of the AM process are optimized to reach similar material properties in the base material and the build-up volume. A metallographic analysis of the parts is presented, where the additive layers, the base material and also the bonding between the additive layers and the base material are analyzed. The paper shows the feasibility of the approach and details the resulting mechanical properties and performance.

  10. Interaction analysis of chimeric metal-binding green fluorescent protein and artificial solid-supported lipid membrane by quartz crystal microbalance and atomic force microscopy

    International Nuclear Information System (INIS)

    Prachayasittikul, Virapong; Na Ayudhya, Chartchalerm Isarankura; Hilterhaus, Lutz; Hinz, Andreas; Tantimongcolwat, Tanawut; Galla, Hans-Joachim

    2005-01-01

    Non-specific adsorption and specific interaction between a chimeric green fluorescent protein (GFP) carrying metal-binding region and the immobilized zinc ions on artificial solid-supported lipid membranes was investigated using the quartz crystal microbalance technique and the atomic force microscopy (AFM). Supported lipid bilayer, composed of octanethiol and 1,2-dipalmitoyl-sn-glycero-3-phosphocholine/1,2-dioleoyl-sn-glycero-3-[N- (5-amino-1-carboxypentyl iminodiacetic acid)succinyl] (NTA-DOGS)-Zn 2+ , was formed on the gold electrode of quartz resonator (5 MHz). Binding of the chimeric GFP to zinc ions resulted in a rapid decrease of resonance frequency. Reversibility of the process was demonstrated via the removal of metal ions by EDTA. Nanoscale structural orientation of the chimeric GFP on the membrane was imaged by AFM. Association constant of the specific binding to metal ions was 2- to 3-fold higher than that of the non-specific adsorption, which was caused by the fluidization effect of the metal-chelating lipid molecules as well as the steric hindrance effect. This infers a possibility for a further development of biofunctionalized membrane. However, maximization is needed in order to attain closer advancement to a membrane-based sensor device

  11. Analysis of Metal-Binding Features of the Wild Type and Two Domain-Truncated Mutant Variants of Littorina littorea Metallothionein Reveals Its Cd-Specific Character

    Directory of Open Access Journals (Sweden)

    Òscar Palacios

    2017-07-01

    Full Text Available After the resolution of the 3D structure of the Cd9-aggregate of the Littorina littorea metallothionein (MT, we report here a detailed analysis of the metal binding capabilities of the wild type MT, LlwtMT, and of two truncated mutants lacking either the N-terminal domain, Lltr2MT, or both the N-terminal domain, plus four extra flanking residues (SSVF, Lltr1MT. The recombinant synthesis and in vitro studies of these three proteins revealed that LlwtMT forms unique M9-LlwtMT complexes with Zn(II and Cd(II, while yielding a complex mixture of heteronuclear Zn,Cu-LlwtMT species with Cu(I. As expected, the truncated mutants gave rise to unique M6-LltrMT complexes and Zn,Cu-LltrMT mixtures of lower stoichiometry with respect to LlwtMT, with the SSVF fragment having an influence on their metal binding performance. Our results also revealed a major specificity, and therefore a better metal-coordinating performance of the three proteins for Cd(II than for Zn(II, although the analysis of the Zn(II/Cd(II displacement reaction clearly demonstrates a lack of any type of cooperativity in Cd(II binding. Contrarily, the analysis of their Cu(I binding abilities revealed that every LlMT domain is prone to build Cu4-aggregates, the whole MT working by modules analogously to, as previously described, certain fungal MTs, like those of C. neoformans and T. mesenterica. It is concluded that the Littorina littorea MT is a Cd-specific protein that (beyond its extended binding capacity through an additional Cd-binding domain confers to Littorina littorea a particular adaptive advantage in its changeable marine habitat.

  12. Crystal structure of Yersinia pestis virulence factor YfeA reveals two polyspecific metal-binding sites

    Energy Technology Data Exchange (ETDEWEB)

    Radka, Christopher D.; DeLucas, Lawrence J.; Wilson, Landon S.; Lawrenz, Matthew B.; Perry, Robert D.; Aller, Stephen G.

    2017-06-30

    Gram-negative bacteria use siderophores, outer membrane receptors, inner membrane transporters and substrate-binding proteins (SBPs) to transport transition metals through the periplasm. The SBPs share a similar protein fold that has undergone significant structural evolution to communicate with a variety of differentially regulated transporters in the cell. InYersinia pestis, the causative agent of plague, YfeA (YPO2439, y1897), an SBP, is important for full virulence during mammalian infection. To better understand the role of YfeA in infection, crystal structures were determined under several environmental conditions with respect to transition-metal levels. Energy-dispersive X-ray spectroscopy and anomalous X-ray scattering data show that YfeA is polyspecific and can alter its substrate specificity. In minimal-media experiments, YfeA crystals grown after iron supplementation showed a threefold increase in iron fluorescence emission over the iron fluorescence emission from YfeA crystals grown from nutrient-rich conditions, and YfeA crystals grown after manganese supplementation during overexpression showed a fivefold increase in manganese fluorescence emission over the manganese fluorescence emission from YfeA crystals grown from nutrient-rich conditions. In all experiments, the YfeA crystals produced the strongest fluorescence emission from zinc and could not be manipulated otherwise. Additionally, this report documents the discovery of a novel surface metal-binding site that prefers to chelate zinc but can also bind manganese. Flexibility across YfeA crystal forms in three loops and a helix near the buried metal-binding site suggest that a structural rearrangement is required for metal loading and unloading.

  13. Structure-Reactivity Relationships in Multi-Component Transition Metal Oxide Catalysts FINAL Report

    Energy Technology Data Exchange (ETDEWEB)

    Altman, Eric I. [Yale Univ., New Haven, CT (United States)

    2015-10-06

    The focus of the project was on developing an atomic-level understanding of how transition metal oxide catalysts function. Over the course of several renewals the specific emphases shifted from understanding how local structure and oxidation state affect how molecules adsorb and react on the surfaces of binary oxide crystals to more complex systems where interactions between different transition metal oxide cations in an oxide catalyst can affect reactivity, and finally to the impact of cluster size on oxide stability and reactivity. Hallmarks of the work were the use of epitaxial growth methods to create surfaces relevant to catalysis yet tractable for fundamental surface science approaches, and the use of scanning tunneling microscopy to follow structural changes induced by reactions and to pinpoint adsorption sites. Key early findings included the identification of oxidation and reduction mechanisms on a tungsten oxide catalyst surface that determine the sites available for reaction, identification of C-O bond cleavage as the rate limiting step in alcohol dehydration reactions on the tungsten oxide surface, and demonstration that reduction does not change the favored reaction pathway but rather eases C-O bond cleavage and thus reduces the reaction barrier. Subsequently, a new reconstruction on the anatase phase of TiO2 relevant to catalysis was discovered and shown to create sites with distinct reactivity compared to other TiO2 surfaces. Building on this work on anatase, the mechanism by which TiO2 enhances the reactivity of vanadium oxide layers was characterized and it was found that the TiO2 substrate can force thin vanadia layers to adopt structures they would not ordinarily form in the bulk which in turn creates differences in reactivity between supported layers and bulk samples. From there, the work progressed to studying well-defined ternary oxides where synergistic effects between the two cations can induce

  14. Influence of non-metallic second phases on fatigue behaviour of high strength steel components

    International Nuclear Information System (INIS)

    Gonzalez, L.; Elvira, R.; Garcia de Andoin, A.; Pizarro, R.; Bertrand, C.

    2005-01-01

    To assess the real effect of the inclusion type on fatigue life of ultra clean high strength steels mechanical components made of 100Cr6 steel were fatigue tested and fracture surfaces analysed to determine the origin of fatigue cracks.Two heats proceedings from different steelmaking routes were taken for the tests. The material were forged into ring shape components which were fatigue tested under compression-compression loads. Failures were analysed by SFEM (Scanning field Emission Microscopy), proving that most of failures at high loads were originated by manganese sulphides of small size (10-70 micros), while less than 40% of all fatigue cracks due to inclusions were caused by titanium carbonitrides and hard oxides. It has been demonstrated that once number and size of hard inclusions have been reduced, the hazardous effect of oxides and carbonitrides on the fatigue life decreases also. However, softer inclusions as manganese sulphides, currently considered as less hazardous, play a more relevant role as direct cause of fatigue failure and they should be taken into account in a deeper way in order to balance both machinability and fatigue life requirements in high strength steel components. (Author) 11 refs

  15. Beryllium-metals joints for application in the plasma-facing components

    International Nuclear Information System (INIS)

    Barabash, V.R.; Gitarsky, L.S.; Ignakovskaya, G.S.; Prokofiev, Yu.G.

    1994-01-01

    The results of the technological development for Be joining with other metals for high heat flux application are presented. The different types of joining technology - high temperature brazing by using the different brazing alloys and solid state diffusion bonding are compared. The results of diffusion bonding technology development for Be-Cu and Be-dispersion strengthened copper alloys joinings are presented. It was shown that for the joining of Be with austenitic stainless steels, the vacuum high temperature brazing using the ternary brazing alloy of Ag-Cu-Me system is more preferable than common eutectic Ag-Cu alloy. The high temperature brazing technology for joining Be-Be using the Al brazing alloys was also analyzed. The problems of nondestructive examination of Be joints, the data on mechanical properties, microhardness testing and results of microstructural examination of Be joint are presented. ((orig.))

  16. Bulk ultrasonic NDE of metallic components at high temperature using magnetostrictive transducers

    Science.gov (United States)

    Ashish, Antony Jacob; Rajagopal, Prabhu; Balasubramaniam, Krishnan; Kumar, Anish; Rao, B. Purnachandra; Jayakumar, Tammana

    2017-02-01

    Online ultrasonic NDE at high-temperature is of much interest to the power, process and automotive industries in view of possible savings in downtime. This paper describes a novel approach to developing ultrasonic transducers capable of high-temperature in-situ operation using the principle of magnetostriction. Preliminary design from previous research by the authors [1] is extended for operation at 1 MHz, and at elevated temperatures by amorphous metallic strips as the magnetostrictive core. Ultrasonic signals in pulse-echo mode are experimentally obtained from the ultrasonic transducer thus developed, in a simulated high-temperature environment of 350 °C for 10 hours. Advantages and challenges for practical deployment of this approach are discussed.

  17. Galvanic corrosion evaluation of high activity nuclear waste container metals components

    International Nuclear Information System (INIS)

    Semino, C.J.

    1990-04-01

    The final disposal container for vitrified high-level waste is assumed to have three metallic layers: a stainless steel inner layer, and external one of a metal to be selected and a thick lead layer (10 cm) in the middle. As design limit, the container shall act as an engineering barrier, granting the isolation of the radionuclides for approximately 1000 years. Preliminary titanium-lead galvanic couple tests showed that titanium behaved always as a cathode in the galvanic couple, promoting the galvanic corrosion of lead. This corrosion study focused on the behaviour of lead-AISI 304 stainless steel and lead-carbon steel (SAE 1010 and 1020) galvanic couples with different area relationships, temperature and media composition. High purity lead (99,999%) and commercial lead (99,9%) were used for galvanic couples tests. Tests were performed at 75, 50, 45 and 40 deg. C. Test solution was either synthetic groundwater, a suspension of 10% bentonite in groundwater, or synthetic sea water. The synthetic sea water was used at 100, 50 and 25% concentration by dilution with distilled water. Tests with lead-304 stainless steel galvanic couples showed that lead always behaves as an anode, corroding preferentially. Very low lead corrosion rates were found in lead-carbon steel galvanic couple in 10% bentonite suspension in synthetic groundwater test at 75 deg. C. An increase of carbon content in steel has very little influence on steel corrosion rate. Commercial lead has a higher corrosion rate and presented a more pronounced attack than high purity lead. Its corrosion rate is at least twice when lead-carbon steel area relationship increases from 1:10 to 1:40. There are higher steel corrosion rates in sea water than in groundwater. Lead behaves as a cathode to the end of the test. 8 refs, 85 figs, 10 tabs

  18. Control of flowering and cell fate by LIF2, an RNA binding partner of the polycomb complex component LHP1.

    Directory of Open Access Journals (Sweden)

    David Latrasse

    Full Text Available Polycomb Repressive Complexes (PRC modulate the epigenetic status of key cell fate and developmental regulators in eukaryotes. The chromo domain protein like heterochromatin protein1 (LHP1 is a subunit of a plant PRC1-like complex in Arabidopsis thaliana and recognizes histone H3 lysine 27 trimethylation, a silencing epigenetic mark deposited by the PRC2 complex. We have identified and studied an LHP1-Interacting Factor2 (LIF2. LIF2 protein has RNA recognition motifs and belongs to the large hnRNP protein family, which is involved in RNA processing. LIF2 interacts in vivo, in the cell nucleus, with the LHP1 chromo shadow domain. Expression of LIF2 was detected predominantly in vascular and meristematic tissues. Loss-of-function of LIF2 modifies flowering time, floral developmental homeostasis and gynoecium growth determination. lif2 ovaries have indeterminate growth and produce ectopic inflorescences with severely affected flowers showing proliferation of ectopic stigmatic papillae and ovules in short-day conditions. To look at how LIF2 acts relative to LHP1, we conducted transcriptome analyses in lif2 and lhp1 and identified a common set of deregulated genes, which showed significant enrichment in stress-response genes. By comparing expression of LHP1 targets in lif2, lhp1 and lif2 lhp1 mutants we showed that LIF2 can either antagonize or act with LHP1. Interestingly, repression of the FLC floral transcriptional regulator in lif2 mutant is accompanied by an increase in H3K27 trimethylation at the locus, without any change in LHP1 binding, suggesting that LHP1 is targeted independently from LIF2 and that LHP1 binding does not strictly correlate with gene expression. LIF2, involved in cell identity and cell fate decision, may modulate the activity of LHP1 at specific loci, during specific developmental windows or in response to environmental cues that control cell fate determination. These results highlight a novel link between plant RNA

  19. Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysis.

    Science.gov (United States)

    Treesuwan, Witcha; Hirao, Hajime; Morokuma, Keiji; Hannongbua, Supa

    2012-05-01

    As the mechanism underlying the sense of smell is unclear, different models have been used to rationalize structure-odor relationships. To gain insight into odorant molecules from bread baking, binding energies and vibration spectra in the gas phase and in the protein environment [7-transmembrane helices (7TMHs) of rhodopsin] were calculated using density functional theory [B3LYP/6-311++G(d,p)] and ONIOM [B3LYP/6-311++G(d,p):PM3] methods. It was found that acetaldehyde ("acid" category) binds strongly in the large cavity inside the receptor, whereas 2-ethyl-3-methylpyrazine ("roasted") binds weakly. Lys296, Tyr268, Thr118 and Ala117 were identified as key residues in the binding site. More emphasis was placed on how vibrational frequencies are shifted and intensities modified in the receptor protein environment. Principal component analysis (PCA) suggested that the frequency shifts of C-C stretching, CH(3) umbrella, C = O stretching and CH(3) stretching modes have a significant effect on odor quality. In fact, the frequency shifts of the C-C stretching and C = O stretching modes, as well as CH(3) umbrella and CH(3) symmetric stretching modes, exhibit different behaviors in the PCA loadings plot. A large frequency shift in the CH(3) symmetric stretching mode is associated with the sweet-roasted odor category and separates this from the acid odor category. A large frequency shift of the C-C stretching mode describes the roasted and oily-popcorn odor categories, and separates these from the buttery and acid odor categories.

  20. Metal components analysis of metallothionein-III in the brain sections of metallothionein-I and metallothionein-II null mice exposed to mercury vapor with HPLC/ICP-MS

    Energy Technology Data Exchange (ETDEWEB)

    Kameo, Satomi; Nakai, Kunihiko; Kurokawa, Naoyuki; Satoh, Hiroshi [Tohoku University, Graduate School of Medicine, Aoba-ku, Sendai (Japan); Kanehisa, Tomokazu; Naganuma, Akira [Tohoku University, Graduate School of Pharmaceutical Sciences, Sendai (Japan)

    2005-04-01

    Mercury vapor is effectively absorbed via inhalation and easily passes through the blood-brain barrier; therefore, mercury poisoning with primarily central nervous system symptoms occurs. Metallothionein (MT) is a cysteine-rich metal-binding protein and plays a protective role in heavy-metal poisoning and it is associated with the metabolism of trace elements. Two MT isoforms, MT-I and MT-II, are expressed coordinately in all mammalian tissues, whereas MT-III is a brain-specific member of the MT family. MT-III binds zinc and copper physiologically and is seemed to have important neurophysiological and neuromodulatory functions. The MT functions and metal components of MTs in the brain after mercury vapor exposure are of much interest; however, until now they have not been fully examined. In this study, the influences of the lack of MT-I and MT-II on mercury accumulation in the brain and the changes of zinc and copper concentrations and metal components of MTs were examined after mercury vapor exposure by using MT-I, II null mice and 129/Sv (wild-type) mice as experimental animals. MT-I, II null mice and wild-type mice were exposed to mercury vapor or an air stream for 2 h and were killed 24 h later. The brain was dissected into the cerebral cortex, the cerebellum, and the hippocampus. The concentrations of mercury in each brain section were determined by cold vapor atomic absorption spectrometry. The concentrations of mercury, copper, and zinc in each brain section were determined by inductively coupled plasma mass spectrometry (ICP-MS). The mercury accumulated in brains after mercury vapor exposure for MT-I, II null mice and wild-type mice. The mercury levels of MT-I, II null mice in each brain section were significantly higher than those of wild-type mice after mercury vapor exposure. A significant change of zinc concentrations with the following mercury vapor exposure for MT-I, II null mice was observed only in the cerebellum analyzed by two-way analysis of

  1. Hyperthermostable binding molecules on phage: Assay components for point-of-care diagnostics for active tuberculosis infection.

    Science.gov (United States)

    Zhao, Ning; Spencer, John; Schmitt, Margaret A; Fisk, John D

    2017-03-15

    Tuberculosis is the leading cause of death from infectious disease worldwide. The low sensitivity, extended processing time, and high expense of current diagnostics are major challenges to the detection and treatment of tuberculosis. Mycobacterium tuberculosis ornithine transcarbamylase (Mtb OTC, Rv1656) has been identified in the urine of patients with active TB infection and is a promising target for point-of-care diagnostics. Specific binding proteins with low nanomolar affinities for Mtb OTC were selected from a phage display library built upon a hyperthermostable Sso7d scaffold. Phage particles displaying Sso7d variants were utilized to generate a sandwich ELISA-based assay for Mtb OTC. The assay response is linear between 2 ng/mL and 125 ng/mL recombinant Mtb OTC and has a limit of detection of 400 pg/mL recombinant Mtb OTC. The assay employing a phage-based detection reagent is comparable to commercially-available antibody-based biosensors. Importantly, the assay maintains functionality at both neutral and basic pH in presence of salt and urea over the range of concentrations typical for human urine. Phage-based diagnostic systems may feature improved physical stability and cost of production relative to traditional antibody-based reagents, without sacrificing specificity and sensitivity. Copyright © 2017 Elsevier Inc. All rights reserved.

  2. Enhanced binding affinity, remarkable selectivity, and high capacity of CO 2 by dual functionalization of a rht-type metal-organic framework

    KAUST Repository

    Li, Baiyan

    2011-12-23

    Open and friendly: The smallest member of the rht-type metal-organic frameworks (MOFs, see picture) constructed by a hexacarboxylate ligand with a nitrogen-rich imino triazine backbone shows a significantly enhanced gas binding affinity relative to all other isoreticular rht-type MOFs. The high adsorption capacity and remarkable selectivity of CO 2 are attributed to the high density of open metal and Lewis basic sites in the framework. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Crystal Structure of (+)-[delta]-Cadinene Synthase from Gossypium arboreum and Evolutionary Divergence of Metal Binding Motifs for Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Gennadios, Heather A.; Gonzalez, Veronica; Di Costanzo, Luigi; Li, Amang; Yu, Fanglei; Miller, David J.; Allemann, Rudolf K.; Christianson, David W.; (UPENN); (Cardiff); (UC)

    2009-09-11

    (+)-{delta}-Cadinene synthase (DCS) from Gossypium arboreum (tree cotton) is a sesquiterpene cyclase that catalyzes the cyclization of farnesyl diphosphate in the first committed step of the biosynthesis of gossypol, a phytoalexin that defends the plant from bacterial and fungal pathogens. Here, we report the X-ray crystal structure of unliganded DCS at 2.4 {angstrom} resolution and the structure of its complex with three putative Mg{sup 2+} ions and the substrate analogue inhibitor 2-fluorofarnesyl diphosphate (2F-FPP) at 2.75 {angstrom} resolution. These structures illuminate unusual features that accommodate the trinuclear metal cluster required for substrate binding and catalysis. Like other terpenoid cyclases, DCS contains a characteristic aspartate-rich D{sup 307}DTYD{sup 311} motif on helix D that interacts with Mg{sub A}{sup 2+} and Mg{sub C}{sup 2+}. However, DCS appears to be unique among terpenoid cyclases in that it does not contain the 'NSE/DTE' motif on helix H that specifically chelates Mg{sub B}{sup 2+}, which is usually found as the signature sequence (N,D)D(L,I,V)X(S,T)XXXE (boldface indicates Mg{sub B}{sup 2+} ligands). Instead, DCS contains a second aspartate-rich motif, D{sup 451}DVAE{sup 455}, that interacts with Mg{sub B}{sup 2+}. In this regard, DCS is more similar to the isoprenoid chain elongation enzyme farnesyl diphosphate synthase, which also contains two aspartate-rich motifs, rather than the greater family of terpenoid cyclases. Nevertheless, the structure of the DCS-2F-FPP complex shows that the structure of the trinuclear magnesium cluster is generally similar to that of other terpenoid cyclases despite the alternative Mg{sub B}{sup 2+} binding motif. Analyses of DCS mutants with alanine substitutions in the D{sup 307}DTYD{sup 311} and D{sup 451}DVAE{sup 455} segments reveal the contributions of these segments to catalysis.

  4. DFT Study of Binding and Electron Transfer from a Metal-Free Dye with Carboxyl, Hydroxyl, and Sulfonic Anchors to a Titanium Dioxide Nanocluster

    Directory of Open Access Journals (Sweden)

    Corneliu I. Oprea

    2013-01-01

    Full Text Available We report results of density functional theory (DFT calculations of a metal-free dye, 5-(4-sulfophenylazosalicylic acid disodium salt, known as Mordant Yellow 10 (MY-10, used as sensitizer for TiO2 dye-sensitized solar cells (DSSCs. Given the need to better understand the behavior of the dyes adsorbed on the TiO2 nanoparticle, we studied various single and double deprotonated forms of the dye bound to a TiO2 cluster, taking advantage of the presence of the carboxyl, hydroxyl, and sulfonic groups as possible anchors. We discuss various binding configurations to the TiO2 substrate and the charge transfer from the pigment to the oxide by means of DFT calculations. In agreement with other reports, we find that the carboxyl group tends to bind in bidentate bridging configurations. The salicylate uses both the carboxyl and hydroxyl substituent groups for either a tridentate binding to adjacent Ti(IV ions or a bidentate Ti-O binding together with an O-H-O binding, due to the rotation of the carboxyl group out of the plane of the dye. The sulfonic group prefers a tridentate binding. We analyze the propensity for electron transfer of the various dyes and find that for MY-10, as a function of the anchor group, the DSSC performance decreases in the order hydroxyl + carboxyl > carboxyl > sulfonate.

  5. Trace Metal Bioremediation: Assessment of Model Components from Laboratory and Field Studies to Identify Critical Variables

    International Nuclear Information System (INIS)

    Peter Jaffe; Herschel Rabitz

    2003-01-01

    The objective of this project was to gain an insight into the modeling support needed for the understanding, design, and operation of trace metal/radionuclide bioremediation. To achieve this objective, a workshop was convened to discuss the elements such a model should contain. A ''protomodel'' was developed, based on the recommendations of the workshop, and was used to perform sensitivity analysis as well as some preliminary simulations in support for bioremediation test experiments at UMTRA sites. To simulate the numerous biogeochemical processes that will occur during the bioremediation of uranium contaminated aquifers, a time-dependent one-dimensional reactive transport model has been developed. The model consists of a set of coupled, steady state mass balance equations, accounting for advection, diffusion, dispersion, and a kinetic formulation of the transformations affecting an organic substrate, electron acceptors, corresponding reduced species, and uranium. This set of equations is solved numerically, using a finite element scheme. The redox conditions of the domain are characterized by estimating the pE, based on the concentrations of the dominant terminal electron acceptor and its corresponding reduced specie. This pE and the concentrations of relevant species are passed to a modified version of MINTEQA2, which calculates the speciation and solubilities of the species of interest. Kinetics of abiotic reactions are described as being proportional to the difference between the actual and equilibrium concentration. A global uncertainty assessment, determined by Random Sampling High Dimensional Model Representation (RS-HDMR), was performed to attain a phenomenological understanding of the origins of output variability and to suggest input parameter refinements as well as to provide guidance for field experiments to improve the quality of the model predictions. Results indicated that for the usually high nitrate contents found ate many DOE sites, overall

  6. Identification of a divalent metal cation binding site in herpes simplex virus 1 (HSV-1) ICP8 required for HSV replication.

    Science.gov (United States)

    Bryant, Kevin F; Yan, Zhipeng; Dreyfus, David H; Knipe, David M

    2012-06-01

    Herpes simplex virus 1 (HSV-1) ICP8 is a single-stranded DNA-binding protein that is necessary for viral DNA replication and exhibits recombinase activity in vitro. Alignment of the HSV-1 ICP8 amino acid sequence with ICP8 homologs from other herpesviruses revealed conserved aspartic acid (D) and glutamic acid (E) residues. Amino acid residue D1087 was conserved in every ICP8 homolog analyzed, indicating that it is likely critical for ICP8 function. We took a genetic approach to investigate the functions of the conserved ICP8 D and E residues in HSV-1 replication. The E1086A D1087A mutant form of ICP8 failed to support the replication of an ICP8 mutant virus in a complementation assay. E1086A D1087A mutant ICP8 bound DNA, albeit with reduced affinity, demonstrating that the protein is not globally misfolded. This mutant form of ICP8 was also recognized by a conformation-specific antibody, further indicating that its overall structure was intact. A recombinant virus expressing E1086A D1087A mutant ICP8 was defective in viral replication, viral DNA synthesis, and late gene expression in Vero cells. A class of enzymes called DDE recombinases utilize conserved D and E residues to coordinate divalent metal cations in their active sites. We investigated whether the conserved D and E residues in ICP8 were also required for binding metal cations and found that the E1086A D1087A mutant form of ICP8 exhibited altered divalent metal binding in an in vitro iron-induced cleavage assay. These results identify a novel divalent metal cation-binding site in ICP8 that is required for ICP8 functions during viral replication.

  7. Structural biology of the sequestration and transport of heavy metal toxins: NMR structure determination of proteins containing the -Cys-X-Y-Cys-metal binding motifs. 1997 annual progress report

    International Nuclear Information System (INIS)

    Opella, S.J.

    1997-01-01

    'There are enormous amounts of heavy metals in the environment, much of it in the form of organometallic compounds resulting from various types of industrial and military waste. Nearly all of these metals and compounds are highly toxic to biological organisms including humans. However, some bacteria thrive in the presence of high concentrations of heavy metal toxins because they possess efficient mechanisms for the detoxification of these metals and compounds. Heavy metals appear to be universally toxic because of their non-selective chemistry, for example Hg(II) reacts with essentially all exposed sulfhydryl groups on proteins, thus, it may seem surprising that any organism at all can survive these chemical insults much less those that grow in a toxic milieu. However, the prebiotic environment was undoubtedly heavily polluted with heavy metals from geological processes, and the most primitive organisms simply had to evolve mechanisms for dealing with them if they were going to be able to utilize Cys, His, and the other amino acids that contribute to metal binding sites in their proteins. Genes associated with bacterial resistance to Ag, AsO 2 , AsO 4 , Bi, Cd, Co, CrO 4 , Cu, Hg, iNi, TeO 3 , TI, Pb, Zn, and other metals of environmental concern have been described (Silver, 1992; Silver and Walderhaug, 1995).'

  8. HEAVY METALS IN THE ECOSYSTEM COMPONENTS AT "DEGELEN" TESTING GROUND OF THE FORMER SEMIPALATINSK TEST SITE

    Directory of Open Access Journals (Sweden)

    A.B. Yankauskas

    2012-06-01

    Full Text Available The ecological situation in the former Semipalatinsk test site is characterized by a combination of both radiative and "nonradiative" factors. There were investigated near-portal areas of the tunnels with water seepage at "Degelen" site. All the tunnel waters are characterized by higher concentrations of uranium, beryllium, and molybdenum. The watercourse of the tunnel # 504 is unique for its elemental composition, in particular, the content of rare earth elements, whose concentration in the water is in the range n*10-5 – n*10-7 %. Of all the rare earth elements in the samples were found 13, the concentrations of aluminum, manganese, zinc are comparable to the concentrations of macro-components. Concentration of 238U in the studied waters lie in the range of n*10-4 – n*10-6 %, which suggests the influence of uranium, not only as a toxic element, but its significance as the radiation factor.

  9. Properties of the Membrane Binding Component of Catechol-O-methyltransferase Revealed by Atomistic Molecular Dynamics Simulations

    DEFF Research Database (Denmark)

    Orlowski, A.; St-Pierre, J. F.; Magarkar, A.

    2011-01-01

    We used atomistic simulations to study the membrane-bound form of catechol-O-methyltransferase (MB-COMT). In particular we investigated the 26-residue transmembrane a-helical segment of MB-COMT together with the 24-residue fragment that links the transmembrane component to the main protein unit...... that was not included in our model. In numerous independent simulations we observed the formation of a salt bridge between ARC 27 and GLU40. The salt bridge closed the flexible loop that formed in the linker and kept it in the vicinity of the membrane-water interface. All simulations supported this conclusion...... that the linker has a clear affinity for the interface and preferentially arranges its residues to reside next to the membrane, without a tendency to relocate into the water phase. Furthermore, an extensive analysis of databases for sequences of membrane proteins that have a single transmembrane helical segment...

  10. Pb(II) and Hg(II) binding to $\\textit{de novo}$ designed proteins studied by $^{204m}$Pb- and $^{199m}$Hg-Perturbed Angular Correlation of $\\gamma$-rays (PAC) spectroscopy : Clues to heavy metal toxicity

    CERN Multimedia

    2002-01-01

    $\\textit{De novo}$ design of proteins combined with PAC spectroscopy offers a unique and powerful approach to the study of fundamental chemistry of heavy metal-protein interactions, and thus of the mechanisms underlying heavy metal toxicity. In this project we focus on Pb(II) and Hg(II) binding to designed three stranded coiled coil proteins with one or two binding sites, mimicking a variety of naturally occurring thiolate-rich metal ion binding sites in proteins. The $^{204m}$Pb- and $^{199m}$Hg-PAC experiments will complement data already recorded with EXAFS, NMR, UV-Vis and CD spectroscopies.

  11. EXTRACTION OF COPPER FROM LEACH LIQUOR OF METALLIC COMPONENT IN DISCARDED CELL PHONE BY CYANEX® 272

    Directory of Open Access Journals (Sweden)

    ALAFARA A. BABA

    2016-06-01

    Full Text Available Discarded cell phones contribute significantly to the amount of electronic waste generation whilst some of its components are toxic and recoverable. Also, due to the increasing demand for Cu(II in building/construction, electrical and as chemical tool in freshwater, it is imperative to develop low cost and ecofriendly technique as a substitute for the conventional treatments such as reduction-roasting route at elevated temperatures. In the present study, the hydrometallurgical operations involving leaching, solvent extraction and precipitation for the recovery of Cu(II by Cyanex® 272 in kerosene was examined. Various parameters affecting the extraction of Cu(II such as pH, extractant concentration and phase ratio were optimized. At optimal conditions, about 96.3 % Cu(II was extracted into the organic phase by 0.2 mol/L Cyanex® 272 at equilibrium pH 5.0 and aqueous to organic phase ratio 1:1. The stripping of the loaded organic was carried out by 0.1 mol/L HCl solution and stripping efficiency of 98 % was obtained. By McCabe Thiele diagram, four stages are required for complete extraction of Cu(II.

  12. Interim Report on Metallic Component Margins Under High Seismic Loads. Survey of Existing Practices and Status of Benchmark Work

    International Nuclear Information System (INIS)

    2015-01-01

    OECD/NEA/CSNI Working Group on Integrity and Ageing of Components and Structures (WGIAGE) has the main mission to advance the current understanding of those aspects relevant to ensuring the integrity of structures, systems and components under design and beyond design loads, to provide guidance in choosing the optimal ways of dealing with challenges to the integrity of operating as well as new nuclear power plants, and to make use of an integrated approach to design, safety and plant life management. The activity (CAPS) of the WGIAGE group, entitled 'Metallic Component Margins under High Seismic Loads (MECOS)', was initially proposed by the metal sub-group of WGIAGE and approved by the CSNI in June 2012 as a Fukushima activity (F-CAPS). The proposal is aimed to assess the consequences of external hazards on plant safety. The main objectives of the MECOS project were to quantify the existing margins in seismic analysis of safety class components for high seismic loads and assess the existing design practices within a benchmark activity. The first phase of MECOS work included a survey on the existing seismic regulations and design analysis methods in the member countries. The survey was conducted by means of a questionnaire and a total of 24 questions were asked. The questionnaire consists of three parts: Seismic Input, Seismic Design Basis, and Beyond Seismic Design Basis. The majority of the respondents use the Standard or Modified Shape Spectrum and only a few countries are using the Uniform Seismic Hazard Spectra (UHS) in their seismic design regulations. All of the respondents have minimum seismic demand in their national or adopted standards. The number of defined and used seismic levels for the design of mechanical components is one or two. Almost all of the respondents are using combined testing and analysis methods for seismic qualification and design. Some countries (e.g. Canada, Finland, USA, France, Japan and UK) have specific requirements for

  13. 3D Microstructural Architectures for Metal and Alloy Components Fabricated by 3D Printing/Additive Manufacturing Technologies

    Science.gov (United States)

    Martinez, E.; Murr, L. E.; Amato, K. N.; Hernandez, J.; Shindo, P. W.; Gaytan, S. M.; Ramirez, D. A.; Medina, F.; Wicker, R. B.

    The layer-by-layer building of monolithic, 3D metal components from selectively melted powder layers using laser or electron beams is a novel form of 3D printing or additive manufacturing. Microstructures created in these 3D products can involve novel, directional solidification structures which can include crystallographically oriented grains containing columnar arrays of precipitates characteristic of a microstructural architecture. These microstructural architectures are advantageously rendered in 3D image constructions involving light optical microscopy and scanning and transmission electron microscopy observations. Microstructural evolution can also be effectively examined through 3D image sequences which, along with x-ray diffraction (XRD) analysis in the x-y and x-z planes, can effectively characterize related crystallographic/texture variances. This paper compares 3D microstructural architectures in Co-base and Ni-base superalloys, columnar martensitic grain structures in 17-4 PH alloy, and columnar copper oxides and dislocation arrays in copper.

  14. Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals.

    Science.gov (United States)

    Liu, Yuanyue; Merinov, Boris V; Goddard, William A

    2016-04-05

    It is well known that graphite has a low capacity for Na but a high capacity for other alkali metals. The growing interest in alternative cation batteries beyond Li makes it particularly important to elucidate the origin of this behavior, which is not well understood. In examining this question, we find a quite general phenomenon: among the alkali and alkaline earth metals, Na and Mg generally have the weakest chemical binding to a given substrate, compared with the other elements in the same column of the periodic table. We demonstrate this with quantum mechanics calculations for a wide range of substrate materials (not limited to C) covering a variety of structures and chemical compositions. The phenomenon arises from the competition between trends in the ionization energy and the ion-substrate coupling, down the columns of the periodic table. Consequently, the cathodic voltage for Na and Mg is expected to be lower than those for other metals in the same column. This generality provides a basis for analyzing the binding of alkali and alkaline earth metal atoms over a broad range of systems.

  15. Novel N-allyl/propargyl tetrahydroquinolines: Synthesis via Three-component Cationic Imino Diels-Alder Reaction, Binding Prediction, and Evaluation as Cholinesterase Inhibitors.

    Science.gov (United States)

    Rodríguez, Yeray A; Gutiérrez, Margarita; Ramírez, David; Alzate-Morales, Jans; Bernal, Cristian C; Güiza, Fausto M; Romero Bohórquez, Arnold R

    2016-10-01

    New N-allyl/propargyl 4-substituted 1,2,3,4-tetrahydroquinolines derivatives were efficiently synthesized using acid-catalyzed three components cationic imino Diels-Alder reaction (70-95%). All compounds were tested in vitro as dual acetylcholinesterase and butyryl-cholinesterase inhibitors and their potential binding modes, and affinity, were predicted by molecular docking and binding free energy calculations (∆G) respectively. The compound 4af (IC50 = 72 μm) presented the most effective inhibition against acetylcholinesterase despite its poor selectivity (SI = 2), while the best inhibitory activity on butyryl-cholinesterase was exhibited by compound 4ae (IC50 = 25.58 μm) with considerable selectivity (SI = 0.15). Molecular docking studies indicated that the most active compounds fit in the reported acetylcholinesterase and butyryl-cholinesterase active sites. Moreover, our computational data indicated a high correlation between the calculated ∆G and the experimental activity values in both targets. © 2016 The Authors Chemical Biology & Drug Design Published by John Wiley & Sons Ltd.

  16. Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.

    Science.gov (United States)

    Wahba, Haytham M; Lecoq, Lauriane; Stevenson, Michael; Mansour, Ahmed; Cappadocia, Laurent; Lafrance-Vanasse, Julien; Wilkinson, Kevin J; Sygusch, Jurgen; Wilcox, Dean E; Omichinski, James G

    2016-02-23

    In bacterial resistance to mercury, the organomercurial lyase (MerB) plays a key role in the detoxification pathway through its ability to cleave Hg-carbon bonds. Two cysteines (C96 and C159; Escherichia coli MerB numbering) and an aspartic acid (D99) have been identified as the key catalytic residues, and these three residues are conserved in all but four known MerB variants, where the aspartic acid is replaced with a serine. To understand the role of the active site serine, we characterized the structure and metal binding properties of an E. coli MerB mutant with a serine substituted for D99 (MerB D99S) as well as one of the native MerB variants containing a serine residue in the active site (Bacillus megaterium MerB2). Surprisingly, the MerB D99S protein copurified with a bound metal that was determined to be Cu(II) from UV-vis absorption, inductively coupled plasma mass spectrometry, nuclear magnetic resonance, and electron paramagnetic resonance studies. X-ray structural studies revealed that the Cu(II) is bound to the active site cysteine residues of MerB D99S, but that it is displaced following the addition of either an organomercurial substrate or an ionic mercury product. In contrast, the B. megaterium MerB2 protein does not copurify with copper, but the structure of the B. megaterium MerB2-Hg complex is highly similar to the structure of the MerB D99S-Hg complexes. These results demonstrate that the active site aspartic acid is crucial for both the enzymatic activity and metal binding specificity of MerB proteins and suggest a possible functional relationship between MerB and its only known structural homologue, the copper-binding protein NosL.

  17. Multivariate Metal-Organic Frameworks for Dialing-in the Binding and Programming the Release of Drug Molecules.

    Science.gov (United States)

    Dong, Zhiyue; Sun, Yangzesheng; Chu, Jun; Zhang, Xianzheng; Deng, Hexiang

    2017-10-11

    We report the control of guest release profiles by dialing-in desirable interactions between guest molecules and pores in metal-organic frameworks (MOFs). The interactions can be derived by the rate constants that were quantitatively correlated with the type of functional group and its proportion in the porous structure; thus the release of guest molecules can be predicted and programmed. Specifically, three probe molecules (ibuprofen, rhodamine B, and doxorubicin) were studied in a series of robust and mesoporous MOFs with multiple functional groups [MIL-101(Fe)-(NH 2 ) x , MIL-101(Fe)-(C 4 H 4 ) x , and MIL-101(Fe)-(C 4 H 4 ) x (NH 2 ) 1-x ]. The release rate can be adjusted by 32-fold [rhodamine from MIL-101(Fe)-(NH 2 ) x ], and the time of release peak can be shifted by up to 12 days over a 40-day release period [doxorubicin from MIL-101(Fe)-(C 4 H 4 ) x (NH 2 ) 1-x ], which was not obtained in the physical mixture of the single component MOF counterparts nor in other porous materials. The corelease of two pro-drug molecules (ibuprofen and doxorubicin) was also achieved.

  18. Band nesting, massive Dirac fermions, and valley Landé and Zeeman effects in transition metal dichalcogenides: A tight-binding model

    Science.gov (United States)

    Bieniek, Maciej; Korkusiński, Marek; Szulakowska, Ludmiła; Potasz, Paweł; Ozfidan, Isil; Hawrylak, Paweł

    2018-02-01

    We present here the minimal tight-binding model for a single layer of transition metal dichalcogenides (TMDCs) MX 2(M , metal; X , chalcogen) which illuminates the physics and captures band nesting, massive Dirac fermions, and valley Landé and Zeeman magnetic field effects. TMDCs share the hexagonal lattice with graphene but their electronic bands require much more complex atomic orbitals. Using symmetry arguments, a minimal basis consisting of three metal d orbitals and three chalcogen dimer p orbitals is constructed. The tunneling matrix elements between nearest-neighbor metal and chalcogen orbitals are explicitly derived at K ,-K , and Γ points of the Brillouin zone. The nearest-neighbor tunneling matrix elements connect specific metal and sulfur orbitals yielding an effective 6 ×6 Hamiltonian giving correct composition of metal and chalcogen orbitals but not the direct gap at K points. The direct gap at K , correct masses, and conduction band minima at Q points responsible for band nesting are obtained by inclusion of next-neighbor Mo-Mo tunneling. The parameters of the next-nearest-neighbor model are successfully fitted to MX 2(M =Mo ; X =S ) density functional ab initio calculations of the highest valence and lowest conduction band dispersion along K -Γ line in the Brillouin zone. The effective two-band massive Dirac Hamiltonian for MoS2, Landé g factors, and valley Zeeman splitting are obtained.

  19. Structural determinants of enzyme binding affinity: the E1 component of pyruvate dehydrogenase from Escherichia coli in complex with the inhibitor thiamin thiazolone diphosphate.

    Science.gov (United States)

    Arjunan, Palaniappa; Chandrasekhar, Krishnamoorthy; Sax, Martin; Brunskill, Andrew; Nemeria, Natalia; Jordan, Frank; Furey, William

    2004-03-09

    Thiamin thiazolone diphosphate (ThTDP), a potent inhibitor of the E1 component from the Escherichia coli pyruvate dehydrogenase multienzyme complex (PDHc), binds to the enzyme with greater affinity than does the cofactor thiamin diphosphate (ThDP). To identify what determines this difference, the crystal structure of the apo PDHc E1 component complex with ThTDP and Mg(2+) has been determined at 2.1 A and compared to the known structure of the native holoenzyme, PDHc E1-ThDP-Mg(2+) complex. When ThTDP replaces ThDP, reorganization occurs in the protein structure in the vicinity of the active site involving positional and conformational changes in some amino acid residues, a change in the V coenzyme conformation, addition of new hydration sites, and elimination of others. These changes culminate in an increase in the number of hydrogen bonds to the protein, explaining the greater affinity of the apoenzyme for ThTDP. The observed hydrogen bonding pattern is not an invariant feature of ThDP-dependent enzymes but rather specific to this enzyme since the extra hydrogen bonds are made with nonconserved residues. Accordingly, these sequence-related hydrogen bonding differences likewise explain the wide variation in the affinities of different thiamin-dependent enzymes for ThTDP and ThDP. The sequence of each enzyme determines its ability to form hydrogen bonds to the inhibitor or cofactor. Mechanistic roles are suggested for the aforementioned reorganization and its reversal in PDHc E1 catalysis: to promote substrate binding and product release. This study also provides additional insight into the role of water in enzyme inhibition and catalysis.

  20. Development of an in-situ multi-component reinforced Al-based metal matrix composite by direct metal laser sintering technique — Optimization of process parameters

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Subrata Kumar, E-mail: subratagh82@gmail.com [Department of Mechanical Engineering, National Institute of Technology Agartala, Tripura 799055 (India); Bandyopadhyay, Kaushik; Saha, Partha [Department of Mechanical Engineering, Indian Institute of Technology Kharagpur, Kharagpur 721302 (India)

    2014-07-01

    In the present investigation, an in-situ multi-component reinforced aluminum based metal matrix composite was fabricated by the combination of self-propagating high-temperature synthesis and direct metal laser sintering process. The different mixtures of Al, TiO{sub 2} and B{sub 4}C powders were used to initiate and maintain the self-propagating high-temperature synthesis by laser during the sintering process. It was found from the X-ray diffraction analysis and scanning electron microscopy that the reinforcements like Al{sub 2}O{sub 3}, TiC, and TiB{sub 2} were formed in the composite. The scanning electron microscopy revealed the distribution of the reinforcement phases in the composite and phase identities. The variable parameters such as powder layer thickness, laser power, scanning speed, hatching distance and composition of the powder mixture were optimized for higher density, lower porosity and higher microhardness using Taguchi method. Experimental investigation shows that the density of the specimen mainly depends upon the hatching distance, composition and layer thickness. On the other hand, hatching distance, layer thickness and laser power are the significant parameters which influence the porosity. The composition, laser power and layer thickness are the key influencing parameters for microhardness. - Highlights: • The reinforcements such as Al{sub 2}O{sub 3}, TiC, and TiB{sub 2} were produced in Al-MMC through SHS. • The density is mainly influenced by the material composition and hatching distance. • Hatching distance is the major influencing parameter on porosity. • The material composition is the significant parameter to enhance the microhardness. • The SEM micrographs reveal the distribution of TiC, TiB{sub 2} and Al{sub 2}O{sub 3} in the composite.

  1. Development of an in-situ multi-component reinforced Al-based metal matrix composite by direct metal laser sintering technique — Optimization of process parameters

    International Nuclear Information System (INIS)

    Ghosh, Subrata Kumar; Bandyopadhyay, Kaushik; Saha, Partha

    2014-01-01

    In the present investigation, an in-situ multi-component reinforced aluminum based metal matrix composite was fabricated by the combination of self-propagating high-temperature synthesis and direct metal laser sintering process. The different mixtures of Al, TiO 2 and B 4 C powders were used to initiate and maintain the self-propagating high-temperature synthesis by laser during the sintering process. It was found from the X-ray diffraction analysis and scanning electron microscopy that the reinforcements like Al 2 O 3 , TiC, and TiB 2 were formed in the composite. The scanning electron microscopy revealed the distribution of the reinforcement phases in the composite and phase identities. The variable parameters such as powder layer thickness, laser power, scanning speed, hatching distance and composition of the powder mixture were optimized for higher density, lower porosity and higher microhardness using Taguchi method. Experimental investigation shows that the density of the specimen mainly depends upon the hatching distance, composition and layer thickness. On the other hand, hatching distance, layer thickness and laser power are the significant parameters which influence the porosity. The composition, laser power and layer thickness are the key influencing parameters for microhardness. - Highlights: • The reinforcements such as Al 2 O 3 , TiC, and TiB 2 were produced in Al-MMC through SHS. • The density is mainly influenced by the material composition and hatching distance. • Hatching distance is the major influencing parameter on porosity. • The material composition is the significant parameter to enhance the microhardness. • The SEM micrographs reveal the distribution of TiC, TiB 2 and Al 2 O 3 in the composite

  2. Role of four conserved aspartic acid residues of EF-loops in the metal ion binding and in the self-assembly of ciliate Euplotes octocarinatus centrin.

    Science.gov (United States)

    Liu, Wen; Duan, Lian; Sun, Tijian; Yang, Binsheng

    2016-12-01

    Ciliate Euplotes octocarinatus centrin (EoCen) is an EF-hand calcium-binding protein closely related to the prototypical calcium sensor protein calmodulin. Four mutants (D37K, D73K, D110K and D146K) were created firstly to elucidate the importance of the first aspartic acid residues (Asp37, Asp73, Asp110 and Asp146) in the beginning of the four EF-loops of EoCen. Aromatic-sensitized Tb 3+ fluorescence indicates that the aspartic acid residues are very important for the metal-binding of EoCen, except for Asp73 (in EF-loop II). Resonance light scattering (RLS) measurements for different metal ions (Ca 2+ and Tb 3+ ) binding proteins suggest that the order of four conserved aspartic acid residues for contributing to the self-assembly of EoCen is Asp37 > Asp146 > Asp110 > Asp73. Cross-linking experiment also exhibits that Asp37 and Asp146 play critical role in the self-assembly of EoCen. Asp37, in site I, which is located in the N-terminal domain, plays the most important role in the metal ion-dependent self-assembly of EoCen, and there is cooperativity between N-terminal and C-terminal domain (especially the site IV). In addition, the dependence of Tb 3+ induced self-assembly of EoCen and the mutants on various factors, including ionic strength and pH, were characterized using RLS. Finally, 2-p-toluidinylnaphthalene-6-sulfonate (TNS) binding, ionic strength and pH control experiments indicate that in the process of EoCen self-assembly, molecular interactions are mediated by both electrostatic and hydrophobic forces, and the hydrophobic interaction has the important status.

  3. Impacts of ambient salinity and copper on brown algae: 2. Interactive effects on phenolic pool and assessment of metal binding capacity of phlorotannin

    Energy Technology Data Exchange (ETDEWEB)

    Connan, Solene, E-mail: solene.connan@gmail.com [Botany and Plant Science, School of Natural Sciences, Environmental Change Institute and Martin Ryan Institute, National University of Ireland Galway, Galway (Ireland); Stengel, Dagmar B., E-mail: dagmar.stengel@nuigalway.ie [Botany and Plant Science, School of Natural Sciences, Environmental Change Institute and Martin Ryan Institute, National University of Ireland Galway, Galway (Ireland)

    2011-07-15

    The aim of this study was to establish in laboratory experiments a quantitative link between phenolic pool (production, composition and exudation) in Ascophyllum nodosum and Fucus vesiculosus and their potential to bind metals. Additionally, the copper binding capacity of purified phlorotannin was investigated. A reduction in salinity decreased total phenolic contents, altered phenolic composition by increasing proportion of cell-wall phenolics, and also increased phenolic exudation of the two seaweed species. After 15 days at a salinity of 5, the inhibition of photosynthesis observed previously for A. nodosum coincided with the high exudation of phenolic compounds into the surrounding water of the seaweed tips which resulted in a significant reduction of phenolic contents. Increased copper concentration also reduced total phenolic contents, changed phenolic composition (increase in proportion and level of cell-wall phenolics), and positively affected phenolic exudation of A. nodosum and F. vesiculosus. A decrease in salinity enhanced the copper toxicity and caused the earlier impact on the physiology of seaweed tips. An involvement of phlorotannins in copper binding is also demonstrated; purified phlorotannins from A. nodosum collected from a site with little anthropogenic activity contained all four metals tested. When placed in copper-enriched water, as for the seaweed material, copper contents of the phenolics increased, zinc and cadmium contents decreased, but no change in chromium content was observed. The use of cell-wall phenolic content as biomarker of copper contamination seems promising but needs further investigation.

  4. Covalent modifications of the amyloid beta peptide by hydroxynonenal: Effects on metal ion binding by monomers and insights into the fibril topology.

    Science.gov (United States)

    Grasso, G; Komatsu, H; Axelsen, P H

    2017-09-01

    Amyloid β peptides (Aβ) and metal ions are associated with oxidative stress in Alzheimer's disease (AD). Oxidative stress, acting on ω-6 polyunsaturated fatty acyl chains, produces diverse products, including 4-hydroxy-2-nonenal (HNE), which can covalently modify the Aβ that helped to produce it. To examine possible feedback mechanisms involving Aβ, metal ions and HNE production, the effects of HNE modification and fibril formation on metal ion binding was investigated. Results indicate that copper(II) generally inhibits the modification of His side chains in Aβ by HNE, but that once modified, copper(II) still binds to Aβ with high affinity. Fibril formation protects only one of the three His residues in Aβ from HNE modification, and this protection is consistent with proposed models of fibril structure. These results provide insight into a network of biochemical reactions that may be operating as a consequence of oxidative stress in AD, or as part of the pathogenic process. Copyright © 2016. Published by Elsevier Inc.

  5. Potential of direct metal deposition technology for manufacturing thick functionally graded coatings and parts for reactors components

    International Nuclear Information System (INIS)

    Thivillon, L.; Bertrand, Ph.; Laget, B.; Smurov, I.

    2009-01-01

    Direct metal deposition (DMD) is an automated 3D deposition process arising from laser cladding technology with co-axial powder injection to refine or refurbish parts. Recently DMD has been extended to manufacture large-size near-net-shape components. When applied for manufacturing new parts (or their refinement), DMD can provide tailored thermal properties, high corrosion resistance, tailored tribology, multifunctional performance and cost savings due to smart material combinations. In repair (refurbishment) operations, DMD can be applied for parts with a wide variety of geometries and sizes. In contrast to the current tool repair techniques such as tungsten inert gas (TIG), metal inert gas (MIG) and plasma welding, laser cladding technology by DMD offers a well-controlled heat-treated zone due to the high energy density of the laser beam. In addition, this technology may be used for preventative maintenance and design changes/up-grading. One of the advantages of DMD is the possibility to build functionally graded coatings (from 1 mm thickness and higher) and 3D multi-material objects (for example, 100 mm-sized monolithic rectangular) in a single-step manufacturing cycle by using up to 4-channel powder feeder. Approved materials are: Fe (including stainless steel), Ni and Co alloys, (Cu,Ni 10%), WC compounds, TiC compounds. The developed coatings/parts are characterized by low porosity (<1%), fine microstructure, and their microhardness is close to the benchmark value of wrought alloys after thermal treatment (Co-based alloy Stellite, Inox 316L, stainless steel 17-4PH). The intended applications concern cooling elements with complex geometry, friction joints under high temperature and load, light-weight mechanical support structures, hermetic joints, tubes with complex geometry, and tailored inside and outside surface properties, etc

  6. Potential of direct metal deposition technology for manufacturing thick functionally graded coatings and parts for reactors components

    Energy Technology Data Exchange (ETDEWEB)

    Thivillon, L.; Bertrand, Ph.; Laget, B. [Ecole Nationale d' Ingenieurs de Saint-Etienne (ENISE), DIPI Laboratory, 58 rue Jean Parot, 42023 Saint-Etienne cedex 2 (France); Smurov, I. [Ecole Nationale d' Ingenieurs de Saint-Etienne (ENISE), DIPI Laboratory, 58 rue Jean Parot, 42023 Saint-Etienne cedex 2 (France)], E-mail: smurov@enise.fr

    2009-03-31

    Direct metal deposition (DMD) is an automated 3D deposition process arising from laser cladding technology with co-axial powder injection to refine or refurbish parts. Recently DMD has been extended to manufacture large-size near-net-shape components. When applied for manufacturing new parts (or their refinement), DMD can provide tailored thermal properties, high corrosion resistance, tailored tribology, multifunctional performance and cost savings due to smart material combinations. In repair (refurbishment) operations, DMD can be applied for parts with a wide variety of geometries and sizes. In contrast to the current tool repair techniques such as tungsten inert gas (TIG), metal inert gas (MIG) and plasma welding, laser cladding technology by DMD offers a well-controlled heat-treated zone due to the high energy density of the laser beam. In addition, this technology may be used for preventative maintenance and design changes/up-grading. One of the advantages of DMD is the possibility to build functionally graded coatings (from 1 mm thickness and higher) and 3D multi-material objects (for example, 100 mm-sized monolithic rectangular) in a single-step manufacturing cycle by using up to 4-channel powder feeder. Approved materials are: Fe (including stainless steel), Ni and Co alloys, (Cu,Ni 10%), WC compounds, TiC compounds. The developed coatings/parts are characterized by low porosity (<1%), fine microstructure, and their microhardness is close to the benchmark value of wrought alloys after thermal treatment (Co-based alloy Stellite, Inox 316L, stainless steel 17-4PH). The intended applications concern cooling elements with complex geometry, friction joints under high temperature and load, light-weight mechanical support structures, hermetic joints, tubes with complex geometry, and tailored inside and outside surface properties, etc.

  7. Potential of direct metal deposition technology for manufacturing thick functionally graded coatings and parts for reactors components

    Science.gov (United States)

    Thivillon, L.; Bertrand, Ph.; Laget, B.; Smurov, I.

    2009-03-01

    Direct metal deposition (DMD) is an automated 3D deposition process arising from laser cladding technology with co-axial powder injection to refine or refurbish parts. Recently DMD has been extended to manufacture large-size near-net-shape components. When applied for manufacturing new parts (or their refinement), DMD can provide tailored thermal properties, high corrosion resistance, tailored tribology, multifunctional performance and cost savings due to smart material combinations. In repair (refurbishment) operations, DMD can be applied for parts with a wide variety of geometries and sizes. In contrast to the current tool repair techniques such as tungsten inert gas (TIG), metal inert gas (MIG) and plasma welding, laser cladding technology by DMD offers a well-controlled heat-treated zone due to the high energy density of the laser beam. In addition, this technology may be used for preventative maintenance and design changes/up-grading. One of the advantages of DMD is the possibility to build functionally graded coatings (from 1 mm thickness and higher) and 3D multi-material objects (for example, 100 mm-sized monolithic rectangular) in a single-step manufacturing cycle by using up to 4-channel powder feeder. Approved materials are: Fe (including stainless steel), Ni and Co alloys, (Cu,Ni 10%), WC compounds, TiC compounds. The developed coatings/parts are characterized by low porosity (<1%), fine microstructure, and their microhardness is close to the benchmark value of wrought alloys after thermal treatment (Co-based alloy Stellite, Inox 316L, stainless steel 17-4PH). The intended applications concern cooling elements with complex geometry, friction joints under high temperature and load, light-weight mechanical support structures, hermetic joints, tubes with complex geometry, and tailored inside and outside surface properties, etc.

  8. ROLE OF DISCRETE NATURE OF CHIP FORMATION AND NATURAL VIBRATIONS OF SYSTEM COMPONENTS IN CHATTER FORMATION DURING METAL CUTTING

    Directory of Open Access Journals (Sweden)

    A. K. M. Nurulamin

    2010-05-01

    Full Text Available In the present work a review of the existing theories of chatter formation has been conducted and the weaknesses of the most widely accepted ‘Regenerative Chatter theory’ in explaining various phenomena related to chatter formation have been identified. An attempt has been made in this work to determine the common causes of chatter formation in different metal cutting operations, namely, turning, thread cutting and end milling conducted on plain carbon steel AISI 1040. Experimental investigations have been conducted during the above types of machining processes to identify the marks of instability and chatter on the formed chips. It has been identified that in all the three machining operations the chips formed show a common type of discreteness in the form of secondary saw teeth, which appear at the free edge of the chip. Mechanism of formation of these teeth has been studied and the frequencies of their formation have been determined for different cutting conditions. Apart from the secondary saw teeth primary saw teeth have also been identified at the main section of the chip and their frequencies were also determined. At the same time the natural vibrations of the main system components have been identified and the acceleration amplitudes at the prominent natural frequencies during actual machining were recoded using a dedicated vibration monitoring system. The frequencies of secondary chip serration and the natural frequencies of the system components were plotted against cutting speed. Acceleration amplitudes at the prominent natural frequencies were also plotted separately against cutting force. Based on comparison and analysis of these two frequency and amplitude graphs it was concluded that chatter (vibration with relatively high amplitude appears in the system when the frequency of secondary saw teeth approaches values equal to half or integer multiple of a prominent natural frequency of the system resulting in resonance. In the

  9. CARBON-ENHANCED METAL-POOR STARS IN THE INNER AND OUTER HALO COMPONENTS OF THE MILKY WAY

    International Nuclear Information System (INIS)

    Carollo, Daniela; Norris, John E.; Freeman, Ken C.; Beers, Timothy C.; Lee, Young Sun; Kennedy, Catherine R.; Bovy, Jo; Sivarani, Thirupathi; Aoki, Wako

    2012-01-01

    Carbon-enhanced metal-poor (CEMP) stars in the halo components of the Milky Way are explored, based on accurate determinations of the carbon-to-iron ([C/Fe]) abundance ratios and kinematic quantities for over 30,000 calibration stars from the Sloan Digital Sky Survey. Using our present criterion that low-metallicity stars exhibiting [C/Fe] ratios ( c arbonicity ) in excess of [C/Fe] =+0.7 are considered CEMP stars, the global frequency of CEMP stars in the halo system for [Fe/H] 5 kpc, the CarDF exhibits a strong tail toward high values, up to [C/Fe] > +3.0. We also find a clear increase in the CEMP frequency with |Z|. For stars with –2.0 < [Fe/H] <–1.5, the frequency grows from 5% at |Z| ∼2 kpc to 10% at |Z| ∼10 kpc. For stars with [Fe/H] <–2.0, the frequency grows from 8% at |Z| ∼2 kpc to 25% at |Z| ∼10 kpc. For stars with –2.0 < [Fe/H] <–1.5, the mean carbonicity is ([C/Fe]) ∼+1.0 for 0 kpc < |Z| < 10 kpc, with little dependence on |Z|; for [Fe/H] <–2.0, ([C/Fe]) ∼+1.5, again roughly independent of |Z|. Based on a statistical separation of the halo components in velocity space, we find evidence for a significant contrast in the frequency of CEMP stars between the inner- and outer-halo components—the outer halo possesses roughly twice the fraction of CEMP stars as the inner halo. The carbonicity distribution also differs between the inner-halo and outer-halo components—the inner halo has a greater portion of stars with modest carbon enhancement ([C/Fe] ∼+0.5]); the outer halo has a greater portion of stars with large enhancements ([C/Fe] ∼+2.0), although considerable overlap still exists. We interpret these results as due to the possible presence of additional astrophysical sources of carbon production associated with outer-halo stars, beyond the asymptotic giant-branch source that may dominate for inner-halo stars, with implications for the progenitors of these populations.

  10. Stability of Benzotriazole Derivatives with Free Cu, Zn, Co and Metal-Containing Enzymes: Binding and Interaction of Methylbenzotriazoles with Superoxide Dismutase and Vitamin B12

    Science.gov (United States)

    Abudalo, R. A.; AbuDalo, M. A.; Hernandez, M. T.

    2018-02-01

    Benzotriazole derivatives form very strong bonds with transition metals, and are the most widely used type of industrial corrosion inhibitor. Some benzotriazole derivatives have been implicated as hormone regulators which also carry the ability to induce uncoupling responses or otherwise inhibit respiration processes in some microorganisms. However, the mechanisms associated with benzotriazole toxicity and inhibition are unknown. Using Differential Pulse Polarography, the stability constants of commercially significant corrosion inhibitors, 4-and 5-methylbenzotriazole, coordinated with free Cu (II) and Co (III), were determined to be 1015 and 108, respectively. Polarographic analyses were extended to confirm that methylbenzotriazole also binds the copper center(s) in the ubiquitous enzyme superoxide dismutase, and the Corrin site in the coenzyme cobalamin (vitamin B12). These results suggest that the metal-chelating ability of this unique class of compounds may confer inhibition to certain enzyme systems.

  11. Mutational analysis of divalent metal ion binding in the active site of class II α-mannosidase from sulfolobus solfataricus

    DEFF Research Database (Denmark)

    Hansen, Dennis K.; Webb, Helen; Nielsen, Jonas Willum

    2015-01-01

    Mutational analysis of Sulfolobus solfataricus class II α-mannosidase was focused on side chains that interact with the hydroxyls of the-1 mannosyl of the substrate (Asp-534) or form ligands to the active site divalent metal ion (His-228 and His-533) judged from crystal structures of homologous e......, although less dramatically with some activating metal ions. No major differences in the pH dependence between wild-type and mutant enzymes were found in the presence of different metal ions. The pH optimum was 5, but enzyme instability was observed at pH...

  12. Universal dependence of hydrogen oxidation and evolution reaction activity of platinum-group metals on pH and hydrogen binding energy.

    Science.gov (United States)

    Zheng, Jie; Sheng, Wenchao; Zhuang, Zhongbin; Xu, Bingjun; Yan, Yushan

    2016-03-01

    Understanding how pH affects the activity of hydrogen oxidation reaction (HOR) and hydrogen evolution reaction (HER) is key to developing active, stable, and affordable HOR/HER catalysts for hydroxide exchange membrane fuel cells and electrolyzers. A common linear correlation between hydrogen binding energy (HBE) and pH is observed for four supported platinum-group metal catalysts (Pt/C, Ir/C, Pd/C, and Rh/C) over a broad pH range (0 to 13), suggesting that the pH dependence of HBE is metal-independent. A universal correlation between exchange current density and HBE is also observed on the four metals, indicating that they may share the same elementary steps and rate-determining steps and that the HBE is the dominant descriptor for HOR/HER activities. The onset potential of CO stripping on the four metals decreases with pH, indicating a stronger OH adsorption, which provides evidence against the promoting effect of adsorbed OH on HOR/HER.

  13. Conserved epitope on several human vitamin K-dependent proteins: location of the antigenic site and influence of metal ions on antibody binding

    International Nuclear Information System (INIS)

    Church, W.R.; Messier, T.; Howard, P.R.; Amiral, J.; Meyer, D.; Mann, K.G.

    1988-01-01

    A murine monoclonal antibody (designated H-11) produced by injecting mice with purified human protein C was found to bind several human vitamin K-dependent proteins. Using a solid-phase competitive radioimmunoassay with antibody immobilized onto microtiter plates, binding of 125 I-labeled protein C to the antibody was inhibited by increasing amounts of protein C, prothrombin, and Factors X and VII over a concentration range of 1 x 10 -8 to 1 x 10 -6 M. Chemical treatment of prothrombin with a variety of agents did not destroy the antigenic site recognized by the antibody as measured by immunoblotting of prothrombin or prothrombin derivative immobilized onto nitrocellulose. Immunoblotting of purified vitamin K-dependent polypeptides with the monoclonal antibody following sodium dodecyl sulfate-polyacrylamide gel electrophoresis and electrophoretic transfer to nitrocellulose indicated that the antigenic site was found on the light chains of protein C and Factor X. The exact location of the antigenic determinant for antibody H-11 was established using synthetic peptides. Comparison of protein sequences of bovine and human vitamin K-dependent proteins suggests that the sequence Phe-Leu-Glu-Glu-Xaa-Arg/Lys is required for antibody binding. Increasing concentrations of Ca 2+ , Mg 2+ , or Mn 2+ partially inhibited binding of 125 I-protein C to the antibody in a solid-phase assay system with half-maximal binding observed at divalent metal ion concentrations of 2, 4, and 0.6 mM, respectively. The antigenic site thus recognized by monoclonal antibody H-11 is located at the amino-terminal region in the highly conserved γ-carboxyglutamic acid-containing domains of several, but not all, vitamin K-dependent proteins

  14. Multi-component adsorption model for pellicle formation: the influence of salivary proteins and non-salivary phospho proteins on the binding of histatin 5 onto hydroxyapatite.

    Science.gov (United States)

    Yin, A; Margolis, H C; Yao, Y; Grogan, J; Oppenheim, F G

    2006-02-01

    The acquired enamel pellicle formed by selective adsorption of proteins in whole saliva is a protective integument on the tooth surface. The purpose of the present study was to investigate the formation of human acquired enamel pellicle using an in vitro hydroxyapatite (HA) model and 3H-histatin 5 to allow accurate measurement of histatin 5 binding in a multi-component experimental system. A binary system was employed by mixing 3H-histatin 5 with one unlabeled protein prior to incubation with HA or by first incubating 3H-histatin 5 with the HA which had been pre-coated with one of a panel of unlabeled proteins (human albumin, salivary amylase, lysozyme, acidic PIFs, statherin, the N-terminal fragment of statherin, and egg yolk phosvitin). A ternary system was employed by mixing 3H-histatin 5 with HA sequentially pre-coated with two different unlabeled proteins, including recombinant histatin 1. The results showed that only salivary statherin and egg yolk phosvitin promote histatin 5 adsorption significantly. The amount of histatin 5 adsorbed was also found to increase as a function of the amount of phosvitin and statherin used to pre-coat HA up to a maximum level that was two- to four-fold greater than that observed on untreated HA. These data suggest that specific protein-protein interactions may play important roles in pellicle formation in vivo.

  15. Mgm101p is a novel component of the mitochondrial nucleoid that binds DNA and is required for the repair of oxidatively damaged mitochondrial DNA

    International Nuclear Information System (INIS)

    Meeusen, S.; Tieu, Q.; Wong, E.; Weiss, E.; Schieltz, D.; Yates, J.R.; Nunnari, J.

    1999-01-01

    Maintenance of mitochondrial DNA (mtDNA) during cell division is required for progeny to be respiratory competent. Maintenance involves the replication, repair, assembly, segregation, and partitioning of the mitochondrial nucleoid. MGM101 has been identified as a gene essential for mtDNA maintenance in S. cerevisiae, but its role is unknown. Using liquid chromatography coupled with tandem mass spectrometry, we identified Mgm101p as a component of highly enriched nucleoids, suggesting that it plays a nucleoid-specific role in maintenance. Subcellular fractionation, indirect immunofluorescence and GFP tagging show that Mgm101p is exclusively associated with the mitochondrial nucleoid structure in cells. Furthermore, DNA affinity chromatography of nucleoid extracts indicates that Mgm101p binds to DNA, suggesting that its nucleoid localization is in part due to this activity. Phenotypic analysis of cells containing a temperature sensitive mgm101 allele suggests that Mgm101p is not involved in mtDNA packaging, segregation, partitioning or required for ongoing mtDNA replication. We examined Mgm101p's role in mtDNA repair. As compared with wild-type cells, mgm101 cells were more sensitive to mtDNA damage induced by UV irradiation and were hypersensitive to mtDNA damage induced by gamma rays and H2O2 treatment. Thus, we propose that Mgm101p performs an essential function in the repair of oxidatively damaged mtDNA that is required for the maintenance of the mitochondrial genome. (author)

  16. Metallothionein from Wild Populations of the African Catfish Clarias gariepinus: From Sequence, Protein Expression and Metal Binding Properties to Transcriptional Biomarker of Metal Pollution

    Directory of Open Access Journals (Sweden)

    Ethel M’kandawire

    2017-07-01

    Full Text Available Anthropogenic pollution with heavy metals is an on-going concern throughout the world, and methods to monitor release and impact of heavy metals are of high importance. With a view to probe its suitability as molecular biomarker of metal pollution, this study has determined a coding sequence for metallothionein of the African sharptooth catfish Clarias gariepinus. The gene product was recombinantly expressed in Escherichia coli in presence of Zn(II, Cd(II, or Cu, and characterised by Electrospray Ionisation Mass Spectrometry and elemental analysis. C. gariepinus MT displays typical features of fish MTs, including 20 conserved cysteines, and seven bound divalent cations (Zn(II or Cd(II when saturated. Livers from wild C. gariepinus fish collected in all three seasons from four different sites on the Kafue River of Zambia were analysed for their metal contents and for MT expression levels by quantitative PCR. Significant correlations were found between Zn and Cu levels and MT expression in livers, with MT expression clearly highest at the most polluted site, Chililabombwe, which is situated in the Copperbelt region. Based on our findings, hepatic expression of MT from C. gariepinus may be further developed as a major molecular biomarker of heavy metal pollution resulting from mining activities in this region.

  17. Metallothionein from Wild Populations of the African Catfish Clarias gariepinus: From Sequence, Protein Expression and Metal Binding Properties to Transcriptional Biomarker of Metal Pollution.

    Science.gov (United States)

    M'kandawire, Ethel; Mierek-Adamska, Agnieszka; Stürzenbaum, Stephen R; Choongo, Kennedy; Yabe, John; Mwase, Maxwell; Saasa, Ngonda; Blindauer, Claudia A

    2017-07-18

    Anthropogenic pollution with heavy metals is an on-going concern throughout the world, and methods to monitor release and impact of heavy metals are of high importance. With a view to probe its suitability as molecular biomarker of metal pollution, this study has determined a coding sequence for metallothionein of the African sharptooth catfish Clarias gariepinus . The gene product was recombinantly expressed in Escherichia coli in presence of Zn(II), Cd(II), or Cu, and characterised by Electrospray Ionisation Mass Spectrometry and elemental analysis. C. gariepinus MT displays typical features of fish MTs, including 20 conserved cysteines, and seven bound divalent cations (Zn(II) or Cd(II)) when saturated. Livers from wild C. gariepinus fish collected in all three seasons from four different sites on the Kafue River of Zambia were analysed for their metal contents and for MT expression levels by quantitative PCR. Significant correlations were found between Zn and Cu levels and MT expression in livers, with MT expression clearly highest at the most polluted site, Chililabombwe, which is situated in the Copperbelt region. Based on our findings, hepatic expression of MT from C. gariepinus may be further developed as a major molecular biomarker of heavy metal pollution resulting from mining activities in this region.

  18. Development of intertexture detection method on trace of heavy metals by using the tissue print binding assay method

    International Nuclear Information System (INIS)

    Umemiya, Yoshiaki; Hiraoka, Kiyoshi; Nakamura, Yuri; Murakami, Yuriko; Kusaba, Shinnosuke; Honta, Chikako

    1999-01-01

    A method to identify and quantify rapidly metal jointed protein in living body texture by using a radioactive isotope (tissue print biding assay: TPBA) was developed to detect the protein induced by excess heavy metals. By this method, locality, presence states and time-elapsing change of heavy metals in each texture of soils and tree bodies were elucidated to make factor analysis possible on dynamics of the heavy metals in fruit garden. Iron among the heavy metals, form deficiency disease by increased pH of soil to generate typical chlorosis to leaves. In this case, as iron content in leaves reduced but chlorosis was generated, ti was found that iron related closely to metabolic process between roots and leaves. In this study, a peach tree grown at a garden was sampled to clarify soil around roots, and locality and absorptive transfer of iron in root portion and texture and to obtain some basic data for elucidation of metabolic physiological reaction of heavy metal jointed protein. (G.K.)

  19. Substrate specificity, metal binding properties, and spectroscopic characterization of the DapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase from Haemophilus influenzae.

    Science.gov (United States)

    Bienvenue, David L; Gilner, Danuta M; Davis, Ryan S; Bennett, Brian; Holz, Richard C

    2003-09-16

    The catalytic and structural properties of divalent metal ion cofactor binding sites in the dapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) from Haemophilus influenzae were investigated. Co(II)-substituted DapE enzyme was 25% more active than the Zn(II)-loaded form of the enzyme. Interestingly, Mn(II) can activate DapE, but only to approximately 20% of the Zn(II)-loaded enzyme. The order of the observed k(cat) values are Co(II) > Zn(II) > Cd(II) > Mn(II) >Ni(II) approximately equal Cu(II) approximately equal Mg(II). DapE was shown to only hydrolyze L,L-N-succinyl-diaminopimelic acid (L,L-SDAP) and was inactive toward D,L-, L,D-, and D,D-SDAP. DapE was also inactive toward several acetylated amino acids as well as D,L-succinyl aminopimelate, which differs from the natural substrate, L,L-SDAP, by the absence of the amine group on the amino acid side chain. These data imply that the carboxylate of the succinyl moiety and the amine form important interactions with the active site of DapE. The affinity of DapE for one versus two Zn(II) ions differs by nearly 2.2 x 10(3) times (K(d1) = 0.14 microM vs K(d2) = 300 microM). In addition, an Arrhenius plot was constructed from k(cat) values measured between 16 and 35 degrees C and was linear over this temperature range. The activation energy for [ZnZn(DapE)] was found to be 31 kJ/mol with the remaining thermodynamic parameters calculated at 25 degrees C being DeltaG(++) = 64 kJ/mol, DeltaH(++) = 28.5 kJ/mol, and DeltaS(++) = -119 J mol(-1) K(-1). Electronic absorption and EPR spectra of [Co_(DapE)] and [CoCo(DapE)] indicate that the first Co(II) binding site is five-coordinate, while the second site is octahedral. In addition, any spin-spin interaction between the two Co(II) ions in [CoCo(DapE)] is very weak. The kinetic and spectroscopic data presented herein suggest that the DapE from H. influenzae has similar divalent metal binding properties to the aminopeptidase from Aeromonas proteolytica (AAP), and

  20. Formation of Mixed-Ligand Complexes of Pd2+ with Nucleoside 5'-Monophosphates and Some Metal-Ion-Binding Nucleoside Surrogates

    Directory of Open Access Journals (Sweden)

    Oleg Golubev

    2014-10-01

    Full Text Available Formation of mixed-ligand Pd2+ complexes between canonical nucleoside 5'-monophosphates and five metal-ion-binding nucleoside analogs has been studied by 1H-NMR spectroscopy to test the ability of these nucleoside surrogates to discriminate between unmodified nucleobases by Pd2+-mediated base pairing. The nucleoside analogs studied included 2,6-bis(3,5-dimethylpyrazol-1-yl-, 2,6-bis(1-methylhydrazinyl- and 6-(3,5-dimethylpyrazol-1-yl-substituted 9-(β-d-ribofuranosylpurines 1–3, and 2,4-bis(3,5-dimethylpyrazol-1-yl- and 2,4-bis(1-methylhydrazinyl-substituted 5-(β-d-ribofuranosyl-pyrimidines 4–5. Among these, the purine derivatives 1-3 bound Pd2+ much more tightly than the pyrimidine derivatives 4, 5 despite apparently similar structures of the potential coordination sites. Compounds 1 and 2 formed markedly stable mixed-ligand Pd2+ complexes with UMP and GMP, UMP binding favored by 1 and GMP by 2. With 3, formation of mixed-ligand complexes was retarded by binding of two molecules of 3 to Pd2+.

  1. The stress granule component TIA-1 binds tick-borne encephalitis virus RNA and is recruited to perinuclear sites of viral replication to inhibit viral translation.

    Science.gov (United States)

    Albornoz, Amelina; Carletti, Tea; Corazza, Gianmarco; Marcello, Alessandro

    2014-06-01

    Flaviviruses are a major cause of disease in humans and animals worldwide. Tick-borne encephalitis virus (TBEV) is the most important arthropod-borne flavivirus endemic in Europe and is the etiological agent of tick-borne encephalitis, a potentially fatal infection of the central nervous system. However, the contributions of host proteins during TBEV infection are poorly understood. In this work, we investigate the cellular protein TIA-1 and its cognate factor TIAR, which are stress-induced RNA-binding proteins involved in the repression of initiation of translation of cellular mRNAs and in the formation of stress granules. We show that TIA-1 and TIAR interact with viral RNA in TBEV-infected cells. During TBEV infection, cytoplasmic TIA-1 and TIAR are recruited at sites of viral replication with concomitant depletion from stress granules. This effect is specific, since G3BP1, another component of these cytoplasmic structures, remains localized to stress granules. Moreover, heat shock induction of stress granules containing TIA-1, but not G3BP1, is inhibited in TBEV-infected cells. Infection of cells depleted of TIA-1 or TIAR by small interfering RNA (siRNA) or TIA-1(-/-) mouse fibroblasts, leads to a significant increase in TBEV extracellular infectivity. Interestingly, TIAR(-/-) fibroblasts show the opposite effect on TBEV infection, and this phenotype appears to be related to an excess of TIA-1 in these cells. Taking advantage of a TBE-luciferase replicon system, we also observed increased luciferase activity in TIA-1(-/-) mouse fibroblasts at early time points, consistent with TIA-1-mediated inhibition at the level of the first round of viral translation. These results indicate that, in response to TBEV infection, TIA-1 is recruited to sites of virus replication to bind TBEV RNA and modulate viral translation independently of stress granule (SG) formation. This study (i) extends previous work that showed TIA-1/TIAR recruitment at sites of flavivirus replication

  2. Synoptic sampling and principal components analysis to identify sources of water and metals to an acid mine drainage stream

    Science.gov (United States)

    Byrne, Patrick; Runkel, Robert L.; Walton-Day, Katie

    2017-01-01

    Combining the synoptic mass balance approach with principal components analysis (PCA) can be an effective method for discretising the chemistry of inflows and source areas in watersheds where contamination is diffuse in nature and/or complicated by groundwater interactions. This paper presents a field-scale study in which synoptic sampling and PCA are employed in a mineralized watershed (Lion Creek, Colorado, USA) under low flow conditions to (i) quantify the impacts of mining activity on stream water quality; (ii) quantify the spatial pattern of constituent loading; and (iii) identify inflow sources most responsible for observed changes in stream chemistry and constituent loading. Several of the constituents investigated (Al, Cd, Cu, Fe, Mn, Zn) fail to meet chronic aquatic life standards along most of the study reach. The spatial pattern of constituent loading suggests four primary sources of contamination under low flow conditions. Three of these sources are associated with acidic (pH metal and major ion) chemistry using PCA suggests a hydraulic connection between many of the left bank inflows and mine water in the Minnesota Mine shaft located to the north-east of the river channel. In addition, water chemistry data during a rainfall-runoff event suggests the spatial pattern of constituent loading may be modified during rainfall due to dissolution of efflorescent salts or erosion of streamside tailings. These data point to the complexity of contaminant mobilisation processes and constituent loading in mining-affected watersheds but the combined synoptic sampling and PCA approach enables a conceptual model of contaminant dynamics to be developed to inform remediation.

  3. 3d/4f Metal Complexes of Phenolic Oximes New Binding Sites on Anderson Polyoxometalates Metal Complexes of the New THAME Ligand

    DEFF Research Database (Denmark)

    Sethi, Waqas

    to be coordinatedto SMMs as well as onto other transition metal complexes, via different synthetic strategies. These synthetic routes did not result in the crystallisation of any new compounds. A new hexadentate ligand tris(((2-hydroxyethyl)-amino)methyl)ethane (THAME) was synthesised and characterised. THAME...

  4. Metal based biologically active compounds: Design, synthesis, DNA binding and antidiabetic activity of 6-methyl-3-formyl chromone derived hydrazones and their metal (II) complexes.

    Science.gov (United States)

    Philip, Jessica Elizabeth; Shahid, Muhammad; Prathapachandra Kurup, M R; Velayudhan, Mohanan Puzhavoorparambil

    2017-10-01

    Two chromone hydrazone ligands HL 1 and HL 2 were synthesized and characterized by elemental analyses, IR, 1 H NMR & 13 C NMR, electronic absorption and mass spectra. The reactions of the chromone hydrazones with transition metals such as Ni, Cu, and Zn (II) salts of acetate afforded mononuclear metal complexes. Characterization and structure elucidation of the prepared chromone hydrazone metal (II) complexes were done by elemental, IR, electronic, EPR spectra and thermo gravimetric analyses as well as conductivity and magnetic susceptibility measurements. The spectroscopic data showed that the ligand acts as a mono basic bidentate with coordination sites are azomethine nitrogen and hydrazonic oxygen, and they exhibited distorted geometry. The biological studies involved antidiabetic activity i.e. enzyme inhibition of α-amylase and α-glucosidase, Calf Thymus - DNA (CT-DNA) interaction and molecular docking. Potential capacity of synthesized compounds to inhibit the α-amylase and α-glucosidase activity was assayed whereas DNA interaction studies were carried out with the help UV-Vis absorption titration and viscosity method. The docking studies of chromone hydrazones show that they are minor groove binders. Complexes were found to be good DNA - intercalates. Chromone hydrazones and its transition metal complexes have shown comparable antidiabetic activity with a standard drug acarbose. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Separation of Metal Binding and Electron Transfer Sites as a Strategy To Stabilize the Ligand-Reduced and Metal-Oxidized Form of [Mo(CO)4L

    Czech Academy of Sciences Publication Activity Database

    Bulak, E.; Varnali, T.; Schwederski, B.; Bubrin, D.; Fiedler, Jan; Kaim, W.

    2011-01-01

    Roč. 30, č. 23 (2011), s. 6441-6445 ISSN 0276-7333 R&D Projects: GA ČR GA203/09/0705 Institutional research plan: CEZ:AV0Z40400503 Keywords : Electron Transfer Sites * [Mo(CO)4L] * metal carbonyl complexes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.963, year: 2011

  6. Specific binding component of the 'inactive' stereoisomer (S,S)-[125I]IQNB to rat brain muscarinic receptors in vivo

    International Nuclear Information System (INIS)

    Boulay, Sheila F.; McRee, R. Carter; Cohen, Victor I.; Sood, Virendar K.; Zeeberg, Barry R.; Reba, Richard C.

    1996-01-01

    In vivo nonspecific binding can be estimated using the inactive stereoisomer of a receptor radioligand. However, the binding of the inactive stereoisomer may be partially specific. Specific binding of the inactive (S,S)-[ 125 I]IQNB was estimated from the inhibition induced by a competing nonradioactive ligand. This technique differed from the usual approach, since it was used to study the inactive rather than the active stereoisomer. The results indicate that there is substantial specific binding for (S,S)-[ 125 I]IQNB

  7. Reference binding energies of transition metal carbides by core-level x-ray photoelectron spectroscopy free from Ar+ etching artefacts

    Science.gov (United States)

    Greczynski, G.; Primetzhofer, D.; Hultman, L.

    2018-04-01

    We report x-ray photoelectron spectroscopy (XPS) core level binding energies (BE's) for the widely-applicable groups IVb-VIb transition metal carbides (TMCs) TiC, VC, CrC, ZrC, NbC, MoC, HfC, TaC, and WC. Thin film samples are grown in the same deposition system, by dc magnetron co-sputtering from graphite and respective elemental metal targets in Ar atmosphere. To remove surface contaminations resulting from exposure to air during sample transfer from the growth chamber into the XPS system, layers are either (i) Ar+ ion-etched or (ii) UHV-annealed in situ prior to XPS analyses. High resolution XPS spectra reveal that even gentle etching affects the shape of core level signals, as well as BE values, which are systematically offset by 0.2-0.5 eV towards lower BE. These destructive effects of Ar+ ion etch become more pronounced with increasing the metal atom mass due to an increasing carbon-to-metal sputter yield ratio. Systematic analysis reveals that for each row in the periodic table (3d, 4d, and 5d) C 1s BE increases from left to right indicative of a decreased charge transfer from TM to C atoms, hence bond weakening. Moreover, C 1s BE decreases linearly with increasing carbide/metal melting point ratio. Spectra reported here, acquired from a consistent set of samples in the same instrument, should serve as a reference for true deconvolution of complex XPS cases, including multinary carbides, nitrides, and carbonitrides.

  8. The Arabidopsis KH-Domain RNA-Binding Protein ESR1 Functions in Components of Jasmonate Signalling, Unlinking Growth Restraint and Resistance to Stress.

    Directory of Open Access Journals (Sweden)

    Louise F Thatcher

    Full Text Available Glutathione S-transferases (GSTs play important roles in the protection of cells against toxins and oxidative damage where one Arabidopsis member, GSTF8, has become a commonly used marker gene for early stress and defense responses. A GSTF8 promoter fragment fused to the luciferase reporter gene was used in a forward genetic screen for Arabidopsis mutants with up-regulated GSTF8 promoter activity. This identified the esr1-1 (enhanced stress response 1 mutant which also conferred increased resistance to the fungal pathogen Fusarium oxysporum. Through positional cloning, the ESR1 gene was found to encode a KH-domain containing RNA-binding protein (At5g53060. Whole transcriptome sequencing of esr1-1 identified altered expression of genes involved in responses to biotic and abiotic stimuli, hormone signaling pathways and developmental processes. In particular was an overall significant enrichment for jasmonic acid (JA mediated processes in the esr1-1 down-regulated dataset. A subset of these genes were tested for MeJA inducibility and we found the expression of some but not all were reduced in esr1-1. The esr1-1 mutant was not impaired in other aspects of JA-signalling such as JA- sensitivity or development, suggesting ESR1 functions in specific components of the JA-signaling pathway. Examination of salicylic acid (SA regulated marker genes in esr1-1 showed no increase in basal or SA induced expression suggesting repression of JA-regulated genes is not due to antagonistic SA-JA crosstalk. These results define new roles for KH-domain containing proteins with ESR1 unlinking JA-mediated growth and defense responses.

  9. Complement component 1, q subcomponent binding protein (C1QBP) in lipid rafts mediates hepatic metastasis of pancreatic cancer by regulating IGF-1/IGF-1R signaling.

    Science.gov (United States)

    Shi, Haojun; Fang, Winston; Liu, Minda; Fu, Deliang

    2017-10-01

    Pancreatic cancer shows a remarkable predilection for hepatic metastasis. Complement component 1, q subcomponent binding protein (C1QBP) can mediate growth factor-induced cancer cell chemotaxis and distant metastasis by activation of receptor tyrosine kinases. Coincidentally, insulin-like growth factor-1 (IGF-1) derived from the liver and cancer cells itself has been recognized as a critical inducer of hepatic metastasis. However, the mechanism underlying IGF-1-dependent hepatic metastasis of pancreatic cancer, in which C1QBP may be involved, remains unknown. In the study, we demonstrated a significant association between C1QBP expression and hepatic metastasis in patients with pancreatic cancer. IGF-1 induced the translocation of C1QBP from cytoplasm to lipid rafts and further drove the formation of CD44 variant 6 (CD44v6)/C1QBP complex in pancreatic cancer cells. C1QBP interacting with CD44v6 in lipid rafts promoted phosphorylation of IGF-1R and thus activated downstream PI3K and MAPK signaling pathways which mediated metastatic potential of pancreatic cancer cells including proliferation, apoptosis, invasion, adhesion and energy metabolism. Furthermore, C1QBP knockdown suppressed hepatic metastasis of pancreatic cancer cells in nude mice. We therefore conclude that C1QBP in lipid rafts serves a key regulator of IGF-1/IGF-1R-induced hepatic metastasis from pancreatic cancer. Our findings about C1QBP in lipid rafts provide a novel strategy to block IGF-1/IGF-1R signaling in pancreatic cancer and a reliable premise for more efficient combined modality therapies. © 2017 UICC.

  10. Patterns of binding of aluminum-containing adjuvants to Haemophilus influenzae type b and meningococcal group C conjugate vaccines and components.

    Science.gov (United States)

    Otto, Robert B D; Burkin, Karena; Amir, Saba Erum; Crane, Dennis T; Bolgiano, Barbara

    2015-09-01

    The basis of Haemophilus influenzae type b (Hib) and Neisseria meningitidis serogroup C (MenC) glycoconjugates binding to aluminum-containing adjuvants was studied. By measuring the amount of polysaccharide and protein in the non-adsorbed supernatant, the adjuvant, aluminum phosphate, AlPO4, was found to be less efficient than aluminum hydroxide, Al(OH)3 at binding to the conjugates, at concentrations relevant to licensed vaccine formulations and when equimolar. At neutral pH, binding of TT conjugates to AlPO4 was facilitated through the carrier protein, with only weak binding of AlPO4 to CRM197 being observed. There was slightly higher binding of either adjuvant to tetanus toxoid conjugates, than to CRM197 conjugates. This was verified in AlPO4 formulations containing DTwP-Hib, where the adsorption of TT-conjugated Hib was higher than CRM197-conjugated Hib. At neutral pH, the anionic Hib and MenC polysaccharides did not appreciably bind to AlPO4, but did bind to Al(OH)3, due to electrostatic interactions. Phosphate ions reduced the binding of the conjugates to the adjuvants. These patterns of adjuvant adsorption can form the basis for future formulation studies with individual and combination vaccines containing saccharide-protein conjugates. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

  11. Patterns of binding of aluminum-containing adjuvants to Haemophilus influenzae type b and meningococcal group C conjugate vaccines and components

    Science.gov (United States)

    Otto, Robert B.D.; Burkin, Karena; Amir, Saba Erum; Crane, Dennis T.; Bolgiano, Barbara

    2015-01-01

    The basis of Haemophilus influenzae type b (Hib) and Neisseria meningitidis serogroup C (MenC) glycoconjugates binding to aluminum-containing adjuvants was studied. By measuring the amount of polysaccharide and protein in the non-adsorbed supernatant, the adjuvant, aluminum phosphate, AlPO4, was found to be less efficient than aluminum hydroxide, Al(OH)3 at binding to the conjugates, at concentrations relevant to licensed vaccine formulations and when equimolar. At neutral pH, binding of TT conjugates to AlPO4 was facilitated through the carrier protein, with only weak binding of AlPO4 to CRM197 being observed. There was slightly higher binding of either adjuvant to tetanus toxoid conjugates, than to CRM197 conjugates. This was verified in AlPO4 formulations containing DTwP–Hib, where the adsorption of TT-conjugated Hib was higher than CRM197-conjugated Hib. At neutral pH, the anionic Hib and MenC polysaccharides did not appreciably bind to AlPO4, but did bind to Al(OH)3, due to electrostatic interactions. Phosphate ions reduced the binding of the conjugates to the adjuvants. These patterns of adjuvant adsorption can form the basis for future formulation studies with individual and combination vaccines containing saccharide-protein conjugates. PMID:26194164

  12. Effect of Redox Potential on Changing of Binding Forms of Heavy Metals in Bottom Sediments of Anzali International Wetland

    International Nuclear Information System (INIS)

    Saeedi, M.; Fakhari, M.

    2016-01-01

    Heavy metals are naturally presented in different chemical bonds within sediment. Different factors affect metals bonding in sediment. One of those factors is changing in Redox potential. Redox potential may change under oxic/anoxic conditions in the bottom sediments. In the present study the effect of redox potential on fractionation and bonding of metals within Anzali international wetland bottom sediment is investigated.Sediment samples of Anzali wetland were aerated for one month and redox potential and p H was measured at 0, 1, 7, 21, and 28th days. Subsamples of sediments at mentioned days of experiments were taken and analyzed for Cu, Zn, Ni, and Cr for deferent chemical bonds using sequential extraction analysis. Results revealed that majority of Cu were presented in the sulfidic/organic bonds while Zn was associated with Fe/Mn oxides. Nickel and Cr were mostly associated in hard residual bonds. At the end of aeration process, with increasing redox potential, 8-23% of metals were released from sediments into dissolved phase. They mainly released from sulfide/organic bonds.

  13. Select toxic metals status of pregnant women with history of ...

    African Journals Online (AJOL)

    Toxic metals are part of the most important groups of environmental pollutants that can bind to vital cellular components and interfere with their functions via inhalation, foods, water etc. The serum levels of toxic metals (lead, mercury, cadmium and arsenic) in pregnant women with history of pregnancy complications, ...

  14. Distribution and behaviour of selected heavy metals and other elements in various components of the southern Baltic ecosystem

    International Nuclear Information System (INIS)

    Szefer, P.

    1998-01-01

    The concentrations and discrimination of selected heavy metals in biota from the southern Baltic indicate that a large group of the Baltic organisms bioaccumulates Fe and Pb but discriminates against U. There appears to be no significant transfer of heavy metals along successive levels of the food chain. The distribution of the heavy metals in the associated sediments is a result of the anthropogenic input of Zn, Pb, Cd, Ag, P and Cu. It is suggested that Pb is introduced to the Polish sector of the Baltic Sea mainly by atmospheric transport whereas other heavy-metal pollutants are introduced mainly from the Vistula River. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

  15. Additive Manufacturing of Metallic and Ceramic Components by the Material Extrusion of Highly-Filled Polymers: A Review and Future Perspectives

    Science.gov (United States)

    Cano, Santiago

    2018-01-01

    Additive manufacturing (AM) is the fabrication of real three-dimensional objects from metals, ceramics, or plastics by adding material, usually as layers. There are several variants of AM; among them material extrusion (ME) is one of the most versatile and widely used. In MEAM, molten or viscous materials are pushed through an orifice and are selectively deposited as strands to form stacked layers and subsequently a three-dimensional object. The commonly used materials for MEAM are thermoplastic polymers and particulate composites; however, recently innovative formulations of highly-filled polymers (HP) with metals or ceramics have also been made available. MEAM with HP is an indirect process, which uses sacrificial polymeric binders to shape metallic and ceramic components. After removing the binder, the powder particles are fused together in a conventional sintering step. In this review the different types of MEAM techniques and relevant industrial approaches for the fabrication of metallic and ceramic components are described. The composition of certain HP binder systems and powders are presented; the methods of compounding and filament making HP are explained; the stages of shaping, debinding, and sintering are discussed; and finally a comparison of the parts produced via MEAM-HP with those produced via other manufacturing techniques is presented. PMID:29783705

  16. Additive Manufacturing of Metallic and Ceramic Components by the Material Extrusion of Highly-Filled Polymers: A Review and Future Perspectives.

    Science.gov (United States)

    Gonzalez-Gutierrez, Joamin; Cano, Santiago; Schuschnigg, Stephan; Kukla, Christian; Sapkota, Janak; Holzer, Clemens

    2018-05-18

    Additive manufacturing (AM) is the fabrication of real three-dimensional objects from metals, ceramics, or plastics by adding material, usually as layers. There are several variants of AM; among them material extrusion (ME) is one of the most versatile and widely used. In MEAM, molten or viscous materials are pushed through an orifice and are selectively deposited as strands to form stacked layers and subsequently a three-dimensional object. The commonly used materials for MEAM are thermoplastic polymers and particulate composites; however, recently innovative formulations of highly-filled polymers (HP) with metals or ceramics have also been made available. MEAM with HP is an indirect process, which uses sacrificial polymeric binders to shape metallic and ceramic components. After removing the binder, the powder particles are fused together in a conventional sintering step. In this review the different types of MEAM techniques and relevant industrial approaches for the fabrication of metallic and ceramic components are described. The composition of certain HP binder systems and powders are presented; the methods of compounding and filament making HP are explained; the stages of shaping, debinding, and sintering are discussed; and finally a comparison of the parts produced via MEAM-HP with those produced via other manufacturing techniques is presented.

  17. Efficient transcription of the glycolytic gene ADH1 and three translational component genes requires the GCR1 product, which can act through TUF/GRF/RAP binding sites.

    OpenAIRE

    Santangelo, G M; Tornow, J

    1990-01-01

    Glycolytic gene expression in Saccharomyces cerevisiae is thought to be activated by the GCR and TUF proteins. We tested the hypothesis that GCR function is mediated by TUF/GRF/RAP binding sites (UASRPG elements). We found that UASRPG-dependent activation of a heterologous gene and transcription of ADH1, TEF1, TEF2, and RP59 were sensitive to GCR1 disruption. GCR is not required for TUF/GRF/RAP expression or in vitro DNA-binding activity.

  18. Factors affecting nucleolytic efficiency of some ternary metal complexes with DNA binding and recognition domains. Crystal and molecular structure of Zn(phen)(edda).

    Science.gov (United States)

    Seng, Hoi-Ling; Ong, Han-Kiat Alan; Rahman, Raja Noor Zaliha Raja Abd; Yamin, Bohari M; Tiekink, Edward R T; Tan, Kong Wai; Maah, Mohd Jamil; Caracelli, Ignez; Ng, Chew Hee

    2008-11-01

    The binding selectivity of the M(phen)(edda) (M=Cu, Co, Ni, Zn; phen=1,10-phenanthroline, edda=ethylenediaminediacetic acid) complexes towards ds(CG)(6), ds(AT)(6) and ds(CGCGAATTCGCG) B-form oligonucleotide duplexes were studied by CD spectroscopy and molecular modeling. The binding mode is intercalation and there is selectivity towards AT-sequence and stacking preference for A/A parallel or diagonal adjacent base steps in their intercalation. The nucleolytic properties of these complexes were investigated and the factors affecting the extent of cleavage were determined to be: concentration of complex, the nature of metal(II) ion, type of buffer, pH of buffer, incubation time, incubation temperature, and the presence of hydrogen peroxide or ascorbic acid as exogenous reagents. The fluorescence property of these complexes and its origin were also investigated. The crystal structure of the Zn(phen)(edda) complex is reported in which the zinc atom displays a distorted trans-N(4)O(2) octahedral geometry; the crystal packing features double layers of complex molecules held together by extensive hydrogen bonding that inter-digitate with adjacent double layers via pi...pi interactions between 1,10-phenanthroline residues. The structure is compared with that of the recently described copper(II) analogue and, with the latter, included in molecular modeling.

  19. Steric effects of CO2 binding to transition metal-benzene complexes: a first-principles study

    OpenAIRE

    Bae, Hyeonhu; Huang, Bing; Lee, Hoonkyung

    2016-01-01

    Using density functional theory (DFT) calculations, we investigated the adsorption of CO2 molecules on 3d transition metal (TM)-benzene complexes. Our calculations show that the maximum number of CO2 molecules adsorbable on Sc or Ti atoms is three, but the 18-electron rule predicts it should be four. The 18-electron rule is generally successful in predicting the maximum H2 adsorption number for TM atoms including Sc or Ti atoms. We found that the 18-electron rule fails to correctly predict CO...

  20. Adaptive self-assembly and induced-fit transformations of anion-binding metal-organic macrocycles

    Science.gov (United States)

    Zhang, Ting; Zhou, Li-Peng; Guo, Xiao-Qing; Cai, Li-Xuan; Sun, Qing-Fu

    2017-06-01

    Container-molecules are attractive to chemists due to their unique structural characteristics comparable to enzymes and receptors in nature. We report here a family of artificial self-assembled macrocyclic containers that feature induced-fit transformations in response to different anionic guests. Five metal-organic macrocycles with empirical formula of MnL2n (M=Metal L=Ligand n=3, 4, 5, 6, 7) are selectively obtained starting from one simple benzimidazole-based ligand and square-planar palladium(II) ions, either by direct anion-adaptive self-assembly or induced-fit transformations. Hydrogen-bonding interactions between the inner surface of the macrocycles and the anionic guests dictate the shape and size of the product. A comprehensive induced-fit transformation map across all the MnL2n species is drawn, with a representative reconstitution process from Pd7L14 to Pd3L6 traced in detail, revealing a gradual ring-shrinking mechanism. We envisage that these macrocyclic molecules with adjustable well-defined hydrogen-bonding pockets will find wide applications in molecular sensing or catalysis.

  1. Spectrophotometric and electrochemical study for metal ion binding of azocalix[4]arene bearing p-ethylester group

    Science.gov (United States)

    Kim, Tae Hyun

    2017-05-01

    The complexation behavior of diazophenylcalix[4]arene bearing para-ethylester group (p-EAC) for alkali, alkaline earth, various heavy and transition metal ions (Li+, Na+, K+, Rb+, Cs+, Mg2 +, Ca2 +, Sr2 +, Ba2 +, Cr3 +, Fe2 +, Co2 +, Ni2 +, Cu2 +, Zn2 +, Pb2 +) was investigated by spectrophotometric and electrochemical methods in CH3CN. p-EAC exhibits decreased absorbance at 353 nm in the presence of Cr3 +, Fe2 +, Pb2 +, and Cu2 +. The spectra of p-EAC showed bathochromic shift in absorption maximum on the addition of Cr3 +, Fe2 +, or Pb2 + with decreasing order of absorbance (Cr3 + > Fe2 + > Pb2 +), and on the other hand, hypsochromic shift on the addition of Cu2 +. This leads to the selective coloration from light green to orange and colorless for Cr3 + and Cu2 + that can be detected by the naked eye, respectively. In electrochemistry experiments, p-EAC also showed two different types of voltammetric changes toward Cr3 +, Fe2 +, or Pb2 +, and toward Cu2 +, whereas no significant changes occurred in the presence of the other metal ions. Nonlinear fitting curve procedure was used to determine a logarithmic value of 5.20, 4.92, 3.54 and 4.80 for the stability constants of the complex of p-EAC with Cr3 +, Fe2 +, Pb2 +, and Cu2 +, respectively.

  2. Thermodynamic and structural properties of the specific binding between Ag⁺ ion and C:C mismatched base pair in duplex DNA to form C-Ag-C metal-mediated base pair.

    Science.gov (United States)

    Torigoe, Hidetaka; Okamoto, Itaru; Dairaku, Takenori; Tanaka, Yoshiyuki; Ono, Akira; Kozasa, Tetsuo

    2012-11-01

    Metal ion-nucleic acid interactions have attracted considerable interest for their involvement in structure formation and catalytic activity of nucleic acids. Although interactions between metal ion and mismatched base pair duplex are important to understand mechanism of gene mutations related to heavy metal ions, they have not been well-characterized. We recently found that the Ag(+) ion stabilized a C:C mismatched base pair duplex DNA. A C-Ag-C metal-mediated base pair was supposed to be formed by the binding between the Ag(+) ion and the C:C mismatched base pair to stabilize the duplex. Here, we examined specificity, thermodynamics and structure of possible C-Ag-C metal-mediated base pair. UV melting indicated that only the duplex with the C:C mismatched base pair, and not of the duplexes with the perfectly matched and other mismatched base pairs, was specifically stabilized on adding the Ag(+) ion. Isothermal titration calorimetry demonstrated that the Ag(+) ion specifically bound with the C:C base pair at 1:1 molar ratio with a binding constant of 10(6) M(-1), which was significantly larger than those for nonspecific metal ion-DNA interactions. Electrospray ionization mass spectrometry also supported the specific 1:1 binding between the Ag(+) ion and the C:C base pair. Circular dichroism spectroscopy and NMR revealed that the Ag(+) ion may bind with the N3 positions of the C:C base pair without distorting the higher-order structure of the duplex. We conclude that the specific formation of C-Ag-C base pair with large binding affinity would provide a binding mode of metal ion-DNA interactions, similar to that of the previously reported T-Hg-T base pair. The C-Ag-C base pair may be useful not only for understanding of molecular mechanism of gene mutations related to heavy metal ions but also for wide variety of potential applications of metal-mediated base pairs in various fields, such as material, life and environmental sciences. Copyright © 2012 Elsevier

  3. Supramolecular Isomers of Metal-Organic Frameworks Derived from a Partially Flexible Ligand with Distinct Binding Motifs

    KAUST Repository

    Abdul Halim, Racha Ghassan

    2016-01-04

    Three novel metal-organic frameworks (MOFs) were isolated upon reacting a heterofunctional ligand 4 (pyrimidin-5 yl)benzoic acid (4,5-pmbc) with mixed valence Cu(I,II) under solvothermal conditions. X-ray crystal structural analysis reveals that the first compound is a layered structure composed of one type of inorganic building block, dinuclear paddlewheel [Cu2(O2C–)4], which are linked through 4,5-pmbc ligands. The two other supramolecular isomers are composed of the same Cu(II) dinuclear paddlewheel and a dinuclear Cu2I2 cluster, which are linked via the 4,5-pmbc linkers to yield two different 3-periodic frameworks with underlying topologies related to lvt and nbo. The observed structural diversity in these structures is due to the distinct coordination modes of the two coordinating moieties (the carboxylate group on the phenyl ring and the N-donor atoms from the pyrimidine moiety).

  4. Supramolecular Isomers of Metal-Organic Frameworks Derived from a Partially Flexible Ligand with Distinct Binding Motifs

    KAUST Repository

    AbdulHalim, Rasha; Shkurenko, Aleksander; Al Kordi, Mohamed; Eddaoudi, Mohamed

    2016-01-01

    Three novel metal-organic frameworks (MOFs) were isolated upon reacting a heterofunctional ligand 4 (pyrimidin-5 yl)benzoic acid (4,5-pmbc) with mixed valence Cu(I,II) under solvothermal conditions. X-ray crystal structural analysis reveals that the first compound is a layered structure composed of one type of inorganic building block, dinuclear paddlewheel [Cu2(O2C–)4], which are linked through 4,5-pmbc ligands. The two other supramolecular isomers are composed of the same Cu(II) dinuclear paddlewheel and a dinuclear Cu2I2 cluster, which are linked via the 4,5-pmbc linkers to yield two different 3-periodic frameworks with underlying topologies related to lvt and nbo. The observed structural diversity in these structures is due to the distinct coordination modes of the two coordinating moieties (the carboxylate group on the phenyl ring and the N-donor atoms from the pyrimidine moiety).

  5. Rheo-processing of semi-solid metal alloys: a new technology for manufacturing automotive and aerospace components

    CSIR Research Space (South Africa)

    Ivanchev, L

    2008-01-01

    Full Text Available The latest trend in the automotive industry to produce fuel-efficient vehicles has resulted in the increased use of aluminium and magnesium alloys. Liquid metal high pressure die-casting (HPDC) currently satisfies the bulk of the automotive industry...

  6. A multi-component Zr alloy with comparable strength and Higher plasticity than Zr-based bulk metallic glasses

    International Nuclear Information System (INIS)

    Liang, S.X.; Yin, L.X.; Ma, M.Z.; Jing, R.; Yu, P.F.; Zhang, Y.F.; Wang, B.A.; Liu, R.P.

    2013-01-01

    Zirconium (Zr)-based bulk metallic glass possesses the highest potential as a structural material among metallic glasses. Although Zr-based bulk metallic glass exhibits extremely high strength, its potential application has been restricted by a number of issues, such as fragility, small size, difficult fabrication into different shapes and poisonous beryllium content, among others. In this paper, a Zr-based crystal alloy with comparable strength and higher plasticity than Zr-based bulk metallic glass is presented. The proposed Zr-based alloy has a tensile strength greater than 1600 MPa. That value is comparable to the 1500 MPa to 2000 MPa strength of Zr-based bulk metallic glasses (BMGs). The ductility in terms of elongation reached 6.2%; at the same time, the 1400 MPa tensile strength was retained. This phenomenon is not possible for Zr-based BMGs. XRD results show that the proposed ultrahigh-strength Zr-based crystal alloy has two-phase structures: an hcp-structured α phase and a bcc-structured β phase. The forged specimen exhibits a typical basket-weave microstructure, which is characterised by the interlaced plate α phase separated from the β phase matrix. Fine, short bar-shaped α phases precipitated along the original β grain boundary together with ultrafine dot-shaped α phases that presented inside the original β grain when the ageing temperature was between 500 °C and 525 °C. As the ageing temperature increased, the dot-shaped α phase grew into plate shapes, decreasing the material's strength and increasing its plasticity. The ultrafine dot-shaped and short bar-shaped α phases in the original β phase matrix are the main strengthening mechanisms of the ultrahigh-strength Zr-based crystal alloy.

  7. Efficient transcription of the glycolytic gene ADH1 and three translational component genes requires the GCR1 product, which can act through TUF/GRF/RAP binding sites.

    Science.gov (United States)

    Santangelo, G M; Tornow, J

    1990-01-01

    Glycolytic gene expression in Saccharomyces cerevisiae is thought to be activated by the GCR and TUF proteins. We tested the hypothesis that GCR function is mediated by TUF/GRF/RAP binding sites (UASRPG elements). We found that UASRPG-dependent activation of a heterologous gene and transcription of ADH1, TEF1, TEF2, and RP59 were sensitive to GCR1 disruption. GCR is not required for TUF/GRF/RAP expression or in vitro DNA-binding activity. Images PMID:2405258

  8. Fabrication and characterization of a metal-packaged regenerated fiber Bragg grating strain sensor for structural integrity monitoring of high-temperature components

    International Nuclear Information System (INIS)

    Tu, Yun; Tu, Shan-Tung

    2014-01-01

    Assessment of the structural integrity of components operating at high temperatures requires the development of novel sensors to measure strain. A metal-packaged regenerated fiber Bragg grating (RFBG) sensor is developed for measurement of strain using titanium–silver magnetron sputtering and nickel electroplating. The strain response of the sensor mounted onto a flat tensile specimen by spot welding is evaluated by uniaxial tensile tests at constant temperatures ranging from room temperature to 400 °C. Similar tests are performed on a bare RFBG sensor for comparison. The metal-packaged RFBG strain sensor exhibits higher strain sensitivity than that of the bare RFBG sensor, as well as good linearity, stability and repeatability of strain measurements. A three-dimensional finite element model of the sensor is established to predict the strain sensitivity based on the sensing principle of the fiber Bragg grating. Comparisons of the experimental results with the numerical predictions for the strain sensitivity show a satisfactory agreement. These results demonstrate that the metal-packaged RFBG strain sensors can be successfully fabricated by combining magnetron sputtering with electroplating, and provide great promise for structural integrity monitoring of high-temperature components. (paper)

  9. Source apportionment of soil heavy metals using robust absolute principal component scores-robust geographically weighted regression (RAPCS-RGWR) receptor model.

    Science.gov (United States)

    Qu, Mingkai; Wang, Yan; Huang, Biao; Zhao, Yongcun

    2018-06-01

    The traditional source apportionment models, such as absolute principal component scores-multiple linear regression (APCS-MLR), are usually susceptible to outliers, which may be widely present in the regional geochemical dataset. Furthermore, the models are merely built on variable space instead of geographical space and thus cannot effectively capture the local spatial characteristics of each source contributions. To overcome the limitations, a new receptor model, robust absolute principal component scores-robust geographically weighted regression (RAPCS-RGWR), was proposed based on the traditional APCS-MLR model. Then, the new method was applied to the source apportionment of soil metal elements in a region of Wuhan City, China as a case study. Evaluations revealed that: (i) RAPCS-RGWR model had better performance than APCS-MLR model in the identification of the major sources of soil metal elements, and (ii) source contributions estimated by RAPCS-RGWR model were more close to the true soil metal concentrations than that estimated by APCS-MLR model. It is shown that the proposed RAPCS-RGWR model is a more effective source apportionment method than APCS-MLR (i.e., non-robust and global model) in dealing with the regional geochemical dataset. Copyright © 2018 Elsevier B.V. All rights reserved.

  10. Rheo-processing of semi-solid metal alloys: a new technology for manufacturing Automotive and aerospace components - Conference paper

    CSIR Research Space (South Africa)

    Ivanchev, L

    2006-02-01

    Full Text Available -solid forming processes. The CSIR in SA, developed and patented a rheocasting process and equipment for semi solid casting, which is in the commercialization stage and an automotive component will be manufactured soon....

  11. Mobile Phones-An asset or a liability: A study based on characterization and assessment of metals in waste mobile phone components using leaching tests.

    Science.gov (United States)

    Hira, Meenakshi; Yadav, Sudesh; Morthekai, P; Linda, Anurag; Kumar, Sushil; Sharma, Anupam

    2018-01-15

    The prolonged use of old fashioned gadgets, especially mobile phones, is declining readily with the advancement in technology which ultimately lead to generation of e-waste. The present study investigates the concentrations of nine metals (Ba, Cd, Cr, Cu, Fe, Ni, Pb, Sn, and Zn) in various components of the mobile phones using Toxicity Characteristic Leaching Procedure (TCLP), Waste Extraction Test (WET) and Synthetic Precipitation Leaching Procedure (SPLP). The results were compared with the threshold limits for hazardous waste defined by the California Department of Toxic Substances Control (CDTSC) and United States Environmental Protection Agency (USEPA). The average concentrations of metals were found high in PWBs. WET was found relatively aggressive as compared to TCLP and SPLP. Redundancy analysis (RDA) suggests that part of mobile, extraction test, manufacturer, mobile model and year of manufacturing explain 34.66% of the variance. According to the present study, waste mobile phones must be considered as hazardous due to the potential adverse impact of toxic metals on human health and environment. However, mobile phones can be an asset as systematic extraction and recycling could reduce the demand of primary metals mining and conserve the natural resources. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Inhibition of Binding of the AB5-Type Enterotoxins LT-I and Cholera Toxin to Ganglioside GM1 by Galactose-Rich Dietary Components

    NARCIS (Netherlands)

    Becker, P.M.; Widjaja-Greefkes, H.C.A.; Wikselaar, van P.G.

    2010-01-01

    Cholera, travelers' diarrhea, or colibacillosis in pigs can possibly be prevented or attenuated by dietary provision of competitive inhibitors that react with the GM1-binding sites of the enterotoxins cholera toxin (CT), human Escherichia coli heat-labile enterotoxin of serogroup I (LTh-I), and

  13. Low Cost Metal Carbide Nanocrystals as Binding and Electrocatalytic Sites for High Performance Li-S Batteries.

    Science.gov (United States)

    Zhou, Fei; Li, Zheng; Luo, Xuan; Wu, Tong; Jiang, Bin; Lu, Lei-Lei; Yao, Hong-Bin; Antonietti, Markus; Yu, Shu-Hong

    2018-02-14

    Lithium sulfur (Li-S) batteries are considered as promising energy storage systems for the next generation of batteries due to their high theoretical energy densities and low cost. Much effort has been made to improve the practical energy densities and cycling stability of Li-S batteries via diverse designs of materials nanostructure. However, achieving simultaneously good rate capabilities and stable cycling of Li-S batteries is still challenging. Herein, we propose a strategy to utilize a dual effect of metal carbide nanoparticles decorated on carbon nanofibers (MC NPs-CNFs) to realize high rate performance, low hysteresis, and long cycling stability of Li-S batteries in one system. The adsorption experiments of lithium polysulfides (LiPS) to MC NPs and corresponding theoretical calculations demonstrate that LiPS are likely to be adsorbed and diffused on the surface of MC NPs because of their moderate chemical bonding. MC NPs turn out to have also an electrocatalytic role and accelerate electrochemical redox reactions of LiPS, as proven by cyclic voltammetry analysis. The fabricated Li-S batteries based on the W 2 C NPs-CNFs hybrid electrodes display not only high specific capacity of 1200 mAh/g at 0.2C but also excellent rate performance and cycling stability, for example, a model setup can be operated at 1C for 500 cycles maintaining a final specific capacity of 605 mAh/g with a degradation rate as low as 0.06%/cycle.

  14. The Complement Binding and Inhibitory Protein CbiA of Borrelia miyamotoi Degrades Extracellular Matrix Components by Interacting with Plasmin(ogen

    Directory of Open Access Journals (Sweden)

    Ngoc T. T. Nguyen

    2018-02-01

    Full Text Available The emerging relapsing fever spirochete Borrelia (B. miyamotoi is transmitted by ixodid ticks and causes the so-called hard tick-borne relapsing fever or B. miyamotoi disease (BMD. More recently, we identified a surface-exposed molecule, CbiA exhibiting complement binding and inhibitory capacity and rendering spirochetes resistant to complement-mediated lysis. To gain deeper insight into the molecular principles of B. miyamotoi-host interaction, we examined CbiA as a plasmin(ogen receptor that enables B. miyamotoi to interact with the serine protease plasmin(ogen. Recombinant CbiA was able to bind plasminogen in a dose-dependent fashion. Moreover, lysine residues appear to play a crucial role in the protein-protein interaction as binding of plasminogen was inhibited by the lysine analog tranexamic acid as well as increasing ionic strength. Of relevance, plasminogen bound to CbiA can be converted by urokinase-type plasminogen activator (uPa to active plasmin which cleaved both, the chromogenic substrate S-2251 and its physiologic substrate fibrinogen. Concerning the involvement of specific amino acids in the interaction with plasminogen, lysine residues located at the C-terminus are frequently involved in the binding as reported for various other plasminogen-interacting proteins of Lyme disease spirochetes. Lysine residues located within the C-terminal domain were substituted with alanine to generate single, double, triple, and quadruple point mutants. However, binding of plasminogen to the mutated CbiA proteins was not affected, suggesting that lysine residues distant from the C-terminus might be involved in the interaction.

  15. Structure and Distribution of Components in the Working Layer Upon Reconditioning of Parts by Electric-Arc Metallization

    Science.gov (United States)

    Skoblo, T. S.; Vlasovets, V. M.; Moroz, V. V.

    2001-11-01

    Reliable data on the structure of the deposited layer are very important due to the considerable instability of the process of deposition of coatings by the method of electric-arc metallization and the strict requirements for reconditioned crankshafts. The present paper is devoted to the structure of coatings obtained from powder wire based on ferrochrome-aluminum with additional alloying elements introduced into the charge.

  16. Comparative analysis of quality assurance systems which effectively control, review and verify the quality of components manufactured for liquid metal cooled fast breeder reactors within the EEC

    International Nuclear Information System (INIS)

    Benn, L.A.

    1985-01-01

    Comparative analyses are made of Quality Assurance Systems, by techniques and the methodology used, for the manufacture of component parts for the Liquid Metal Cooled Fast Breeder Reactor (LMFBR) within the EEC. Two differing alternative systems are presented in the analysis. First, a tabulated analytical treatment which analyses 14 codes and standards relating to Quality Assurance which can be applied to LMFBR's. The comparison equates equivalent clauses between codes and standards followed by an analysis of individual clauses in tabular form, the International Standard ISO 6215. A statistical summary and recommendations conclude this analysis. The second alternative system used in the comparison is a descriptive analytical method applied to 9 selected codes and standards relating to Quality Assurance based on the 13 criteria of the International IAEA Code of Practice no. 50 C.QA entitled ''Quality Assurance for Safety in Nuclear Power Plants''. An investigation is then made of the state of the art on the subject of classification of component parts bearing generally on Quality Assurance. The method of classification is segregated into General, Safety and Inspection categories. A summary of destructive and non destructive controls that may be applied during the manufacture of LMFBR components is given, together with tests that may be applied to selected components, namely Primary Tank, Secondary Sodium Pump and the Primary Cold Trap allocated to Safety Classes, 1, 2 and 3 respectively. The report concludes with a summary of typical records produced at the delivery of a component

  17. Characterization of reflectance variability in the industrial paint application of automotive metallic coatings by using principal component analysis

    Science.gov (United States)

    Medina, José M.; Díaz, José A.

    2013-05-01

    We have applied principal component analysis to examine trial-to-trial variability of reflectances of automotive coatings that contain effect pigments. Reflectance databases were measured from different color batch productions using a multi-angle spectrophotometer. A method to classify the principal components was used based on the eigenvalue spectra. It was found that the eigenvalue spectra follow distinct power laws and depend on the detection angle. The scaling exponent provided an estimation of the correlation between reflectances and it was higher near specular reflection, suggesting a contribution from the deposition of effect pigments. Our findings indicate that principal component analysis can be a useful tool to classify different sources of spectral variability in color engineering.

  18. Long-term observation of water-soluble chemical components and acid-digested metals in the total suspended particles collected at Okinawa, Japan

    Science.gov (United States)

    Handa, D.; Okada, K.; Kuroki, Y.; Nakama, Y.; Nakajima, H.; Somada, Y.; Ijyu, M.; Azechi, S.; Oshiro, Y.; Nakaema, F.; Miyagi, Y.; Arakaki, T.; Tanahara, A.

    2011-12-01

    The economic growth and population increase in recent Asia have been increasing air pollution. Emission rate of air pollutants from Asia, in particular oxides of nitrogen, surpassed those from North America and Europe and should continue to exceed them for decades. Okinawa Island is situated approximately 1500 km south of Tokyo, Japan, 2000 km southeast of Beijing, China, and 1000 km south of South Korea. Its location is ideal in observing East Asia's air quality because maritime air mass prevails during summer, while continental air mass dominates during fall, winter, and spring. The maritime air mass data can be seen as background clean air and can be compared with continental air masses which have been affected by anthropogenic activities. We collected total suspended particles (TSP) on quartz filters by using a high volume air sampler at the Cape Hedo Atmosphere and Aerosol Monitoring Station (CHAAMS), Okinawa, Japan during August 2005 and August 2010. Sampling duration was one week for each sample. We determined the concentrations of water-soluble anions, cations, water-soluble organic carbon (WSOC) and acid-digested metals in TSP samples using ion chromatography, atomic absorption spectrometry, total organic carbon analyzer and Inductively Coupled Plasma Mass spectrometry (ICP-MS), respectively. Seasonal variation of water-soluble chemical components and acid-digested metals showed that the concentrations were the lowest in summer, higher in fall and winter, and the highest in spring. When air mass came from Asian continent, the concentrations of water-soluble chemical components and acid-digested metals were much higher compared to the other directions, suggesting long-range transport of air pollutants from Asian continent. Also, when the air mass came from Asian continent (75-100% dominant), the mean concentrations of non-sea salt sulfate and nitrate increased ca. 1.8 times and ca. 3.7 times, respectively between 2005 and 2010, and the ratio of nitrate to

  19. How Do the Different Components of Episodic Memory Develop? Role of Executive Functions and Short-Term Feature-Binding Abilities

    Science.gov (United States)

    Picard, Laurence; Cousin, Sidonie; Guillery-Girard, Berenere; Eustache, Francis; Piolino, Pascale

    2012-01-01

    This study investigated the development of all 3 components of episodic memory (EM), as defined by Tulving, namely, core factual content, spatial context, and temporal context. To this end, a novel, ecologically valid test was administered to 109 participants aged 4-16 years. Results showed that each EM component develops at a different rate.…

  20. Calculation of the valence charge density and binding energy in a simple metal according to the neutral atom method: the Hartree-Fock ionic potential

    International Nuclear Information System (INIS)

    Dagens, L.

    1975-01-01

    The neutral atom method is generalized in order to deal with a Hartree-Fock nonlocal ionic potential. It is used to test the following metal potential, based upon a theoretical analysis due to Hedin and Lundquist. The true HF potential is used to describe the ionic part and a simple local density scheme (the Gaspar-Kohn-Sham approximation) is used for the valence part. The method is first applied to the calculation of the rigid neutral atom valence density of a few simple metals and the corresponding form factor n(q). The choice of the ionic potential (HF or GKS) is found to have a small but significant effect as far as n(q) is concerned. A comparison with experiment is made for Al and Be, using the available X-rays structure factor measurements. Good agreement is obtained for Al with the recent results of Raccah and Heinrich. No agreement is obtained with the Be results of Brown, although the general behavior of the observed and theoretical n(g) as function of g (reciprocal vector length) are found to be quite similar. The binding energy is calculated for Li, Be, Na, Mg and Al, using the Nozieres-Pines formula for the valence-valence correlation energy. The agreement with observed values is improved considerably when the present (HF+GKS) scheme is used, instead of the HFS completely local density scheme used in a previous work. The remaining discrepancies may be ascribed to the inaccuracy of the NP formula and to the neglect of the whole valence-core correlation energy [fr

  1. Estimation of metal temperature of MCrAlY coated IN738 components based on interdiffusion behaviour

    DEFF Research Database (Denmark)

    Dahl, Kristian Vinter; Hald, John

    2006-01-01

    Interdiffusion at the interface between a Co-36.5Ni-17.5Cr-8Al-0.5Y, MCrAlY coating and the underlying IN738 superalloy was studied in a large matrix of specimens isothermally heat treated up to 12,000 hours at temperatures 875°C, 925°C or 950°C. Microstructural investigations and calculated phas....... The developed model was used to estimate metal temperatures for a service exposed, first stage gas turbine blade....

  2. Purification, subunit characterization and ultrastructure of three soluble bovine lectins: conglutinin, mannose-binding protein and the pentraxin serum amyloid P-component

    DEFF Research Database (Denmark)

    Andersen, Ove; Friis, P; Holm Nielsen, E

    1992-01-01

    affinity chromatography and selective elution was developed. The purification was monitored by SDS-PAGE, Western blotting and electron microscopy. Binding of the lectins to Sephadex-iC3b, their collagenase sensitivity, and the size and antibody reactivity of their subunits was investigated....... The demonstration, by SDS-PAGE, of 25-kDa subunits, which were unaffected by collagenase treatment but bound to Sephadex-iC3b and antibodies to human SAP, indicated the existence of bovine SAP. Bovine conglutinin (BK) also showed calcium-dependent binding to Sephadex-iC3b, whereas bovine MBP did not. The binding...... of BK was inhibitable with GlcNAc. A 3000-fold increase in BK activity (ELISA) was obtained in eluates from Sephadex-iC3b. SDS-PAGE analyses of BK and MBP revealed subunits with an Mr of 43 kDa and 30 kDa, respectively. These subunits were sensitive to collagenase treatment which reduced the Mr to 20 k...

  3. Prevention measures for avoiding unexpected drifting of marine component in recovery equipment of significant metals from sea water. Positioning and monitoring system for marine component and improvement of its positioning accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Tamada, Masao; Kasai, Noboru; Seko, Noriaki; Hasegawa, Shin; Takeda, Hayato; Katakai, Akio; Sugo, Takanobu [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment; Kawabata, Yukiya [Ebara Reseach Co., Ltd., Fujisawa, Kanagawa (Japan); Onuma, Kenji [Mitsubishi Materials Corp., Tokyo (Japan)

    2001-11-01

    Positioning and monitoring system for marine component in recovery equipment of significant metals from seawater with adsorbent was designed and assembled to avoid unexpected drifting accident. This system which was set on float part of the marine component obtains the positioning data from GPS satellites and sends them to Takasaki and Mutsu establishments through satellite communication. In both establishments, the position data were shown in computer displays. As characteristic test for 20 days in the real sea, 262 data were obtained every 2 hours. The twice of the distance root mean square (2DRMS) was 223.7 m. To improve this performance, three new functions were added to the present firmware. There are to raise positioning resolutions in longitude and latitude from 0.001 to 0.00001 degree, to remove the reflection of GPS signal from sea surface, and to average remaining three positioning data after maximum and minimum data were omitted from continuous five positioning data. The improved system shows the 2DRMS positioning of 15.5 m. This performance is enough to prevent marine component from its drifting accident. (author)

  4. Ultrastructural analysis of metal particles released from stainless steel and titanium miniplate components in an animal model.

    Science.gov (United States)

    Matthew, I R; Frame, J W

    1998-01-01

    Low-vacuum scanning electron microscopy (Ivac SEM) was used to characterize the appearance of metal particles released from stressed and unstressed Champy miniplates placed in dogs and to study the relationship of the debris to the surrounding tissues. Under general endotracheal anesthesia, two Champy miniplates (titanium or stainless steel) were placed on the frontal bone in an animal model. One miniplate was bent to fit the curvature of the frontal bone (unstressed) and another miniplate of the same material was bent in a curve until the midpoint was raised 3 mm above the ends. The latter miniplate adapted to the skull curvature under tension during screw insertion (stressed). The miniplates and surrounding tissues were retrieved after intervals of 4, 12, and 24 weeks. Decalcified sections were prepared and examined by light microscopy and Ivac SEM. Under Ivac SEM examination, the titanium particles had a smooth, polygonal outline. Stainless steel particles were typically spherical, with numerous small projections on the surface. Most particles were 1 to 10 microns in diameter. The tissue response to the particles was variable; some particles were covered by fibrous connective tissue or enclosed by bone, and others were intracellular. The metal particles released from stressed or unstressed Champy miniplates were similar, and this was related to their source of origin and duration within the tissues. The tissue response to the particles appeared to depend on their location.

  5. Amyloid fibril formation in vitro from halophilic metal binding protein: Its high solubility and reversibility minimized formation of amorphous protein aggregations

    Science.gov (United States)

    Tokunaga, Yuhei; Matsumoto, Mitsuharu; Tokunaga, Masao; Arakawa, Tsutomu; Sugimoto, Yasushi

    2013-01-01

    Halophilic proteins are characterized by high net negative charges and relatively small fraction of hydrophobic amino acids, rendering them aggregation resistant. These properties are also shared by histidine-rich metal binding protein (HP) from moderate halophile, Chromohalobacter salexigens, used in this study. Here, we examined how halophilic proteins form amyloid fibrils in vitro. His-tagged HP, incubated at pH 2.0 and 58°C, readily formed amyloid fibrils, as observed by thioflavin fluorescence, CD spectra, and transmission or atomic force microscopies. Under these low-pH harsh conditions, however, His-HP was promptly hydrolyzed to smaller peptides most likely responsible for rapid formation of amyloid fibril. Three major acid-hydrolyzed peptides were isolated from fibrils and turned out to readily form fibrils. The synthetic peptides predicted to form fibrils in these peptide sequences by Waltz software also formed fibrils. Amyloid fibril was also readily formed from full-length His-HP when incubated with 10–20% 2,2,2-trifluoroethanol at pH 7.8 and 25°C without peptide bond cleavage. PMID:24038709

  6. Development of non-destructive examination techniques for CFC-metal joints in annular geometry and their application to the manufacturing of plasma-facing components

    International Nuclear Information System (INIS)

    Di Pietro, E.; Visca, E.; Orsini, A.; Sacchetti, M.; Borruto, T.M.R.; Varone, P.; Vesprini, R.

    1995-01-01

    The design of plasma-facing components for ITER, as for any of the envisaged next-step machines, relies heavily on the use of brazed junctions to couple armour materials to the heat sink and cooling tubes. Moreover, the typical number of brazed components and the envisaged effects of local overheating due to failure in a single brazed junction stress the importance of having a set of NDE techniques developed that can ensure the flawless quality of the joint. The qualification and application of two NDE techniques (ultrasonic and thermographic analysis) for inspection of CFC-to-metal joints is described with particular regard to the annular geometry typical of macroblock/monoblock solutions for divertor high-heat-flux components. The results of the eddy current inspection are not reported. The development has been focused specifically on the joint between carbon-fiber composite and TZM molybdenum alloy; techniques for the production of reference defect samples have been devised and a set of reference defect samples produced. The comparative results of the NDE inspections are reported and discussed, also on the basis of the destructive examination of the samples. The nature and size of relevant and detectable defects are discussed together with hints for a possible NDE strategy for divertor high-heat-flux components

  7. In vitro profiling of epigenetic modifications underlying heavy metal toxicity of tungsten-alloy and its components

    International Nuclear Information System (INIS)

    Verma, Ranjana; Xu, Xiufen; Jaiswal, Manoj K.; Olsen, Cara; Mears, David; Caretti, Giuseppina; Galdzicki, Zygmunt

    2011-01-01

    Tungsten-alloy has carcinogenic potential as demonstrated by cancer development in rats with intramuscular implanted tungsten-alloy pellets. This suggests a potential involvement of epigenetic events previously implicated as environmental triggers of cancer. Here, we tested metal induced cytotoxicity and epigenetic modifications including H3 acetylation, H3-Ser10 phosphorylation and H3-K4 trimethylation. We exposed human embryonic kidney (HEK293), human neuroepithelioma (SKNMC), and mouse myoblast (C2C12) cultures for 1-day and hippocampal primary neuronal cultures for 1-week to 50-200 μg/ml of tungsten-alloy (91% tungsten/6% nickel/3% cobalt), tungsten, nickel, and cobalt. We also examined the potential role of intracellular calcium in metal mediated histone modifications by addition of calcium channel blockers/chelators to the metal solutions. Tungsten and its alloy showed cytotoxicity at concentrations > 50 μg/ml, while we found significant toxicity with cobalt and nickel for most tested concentrations. Diverse cell-specific toxic effects were observed, with C2C12 being relatively resistant to tungsten-alloy mediated toxic impact. Tungsten-alloy, but not tungsten, caused almost complete dephosphorylation of H3-Ser10 in C2C12 and hippocampal primary neuronal cultures with H3-hypoacetylation in C2C12. Dramatic H3-Ser10 dephosphorylation was found in all cobalt treated cultures with a decrease in H3 pan-acetylation in C2C12, SKNMC and HEK293. Trimethylation of H3-K4 was not affected. Both tungsten-alloy and cobalt mediated H3-Ser10 dephosphorylation were reversed with BAPTA-AM, highlighting the role of intracellular calcium, confirmed with 2-photon calcium imaging. In summary, our results for the first time reveal epigenetic modifications triggered by tungsten-alloy exposure in C2C12 and hippocampal primary neuronal cultures suggesting the underlying synergistic effects of tungsten, nickel and cobalt mediated by changes in intracellular calcium homeostasis and

  8. Synoptic sampling and principal components analysis to identify sources of water and metals to an acid mine drainage stream

    OpenAIRE

    Byrne, Patrick; Runkel, Robert L.; Walton-Day, Katherine

    2017-01-01

    Combining the synoptic mass balance approach with principal components analysis (PCA) can be an effective method for discretising the chemistry of inflows and source areas in watersheds where contamination is diffuse in nature and/or complicated by groundwater interactions. This paper presents a field-scale study in which synoptic sampling and PCA are employed in a mineralized watershed (Lion Creek, Colorado, USA) under low flow conditions to (i) quantify the impacts of mining activity on str...

  9. Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon–Metal Bond Cleavage

    Energy Technology Data Exchange (ETDEWEB)

    Wahba, Haytham M. [Département; Faculty; Stevenson, Michael J. [Department; Mansour, Ahmed [Département; Sygusch, Jurgen [Département; Wilcox, Dean E. [Department; Omichinski, James G. [Département

    2017-01-03

    The organomercurial lyase MerB has the unique ability to cleave carbon–Hg bonds, and structural studies indicate that three residues in the active site (C96, D99, and C159 in E. coli MerB) play important roles in the carbon–Hg bond cleavage. However, the role of each residue in carbon–metal bond cleavage has not been well-defined. To do so, we have structurally and biophysically characterized the interaction of MerB with a series of organotin and organolead compounds. Studies with two known inhibitors of MerB, dimethyltin (DMT) and triethyltin (TET), reveal that they inhibit by different mechanisms. In both cases the initial binding is to D99, but DMT subsequently binds to C96, which induces a conformation change in the active site. In contrast, diethyltin (DET) is a substrate for MerB and the SnIV product remains bound in the active site in a coordination similar to that of HgII following cleavage of organomercurial compounds. The results with analogous organolead compounds are similar in that trimethyllead (TML) is not cleaved and binds only to D99, whereas diethyllead (DEL) is a substrate and the PbIV product remains bound in the active site. Binding and cleavage is an exothermic reaction, while binding to D99 has negligible net heat flow. These results show that initial binding of organometallic compounds to MerB occurs at D99 followed, in some cases, by cleavage and loss of the organic moieties and binding of the metal ion product to C96, D99, and C159. The N-terminus of MerA is able to extract the bound PbVI but not the bound SnIV. These results suggest that MerB could be utilized for bioremediation applications, but certain organolead and organotin compounds may present an obstacle by inhibiting the enzyme.

  10. In Silico Analysis of Gene Expression Network Components Underlying Pigmentation Phenotypes in the Python Identified Evolutionarily Conserved Clusters of Transcription Factor Binding Sites

    Directory of Open Access Journals (Sweden)

    Kristopher J. L. Irizarry

    2016-01-01

    Full Text Available Color variation provides the opportunity to investigate the genetic basis of evolution and selection. Reptiles are less studied than mammals. Comparative genomics approaches allow for knowledge gained in one species to be leveraged for use in another species. We describe a comparative vertebrate analysis of conserved regulatory modules in pythons aimed at assessing bioinformatics evidence that transcription factors important in mammalian pigmentation phenotypes may also be important in python pigmentation phenotypes. We identified 23 python orthologs of mammalian genes associated with variation in coat color phenotypes for which we assessed the extent of pairwise protein sequence identity between pythons and mouse, dog, horse, cow, chicken, anole lizard, and garter snake. We next identified a set of melanocyte/pigment associated transcription factors (CREB, FOXD3, LEF-1, MITF, POU3F2, and USF-1 that exhibit relatively conserved sequence similarity within their DNA binding regions across species based on orthologous alignments across multiple species. Finally, we identified 27 evolutionarily conserved clusters of transcription factor binding sites within ~200-nucleotide intervals of the 1500-nucleotide upstream regions of AIM1, DCT, MC1R, MITF, MLANA, OA1, PMEL, RAB27A, and TYR from Python bivittatus. Our results provide insight into pigment phenotypes in pythons.

  11. Trunnion Corrosion and Early Failure in Monolithic Metal-on-Polyethylene TMZF Femoral Components: A Case Series

    Directory of Open Access Journals (Sweden)

    Peter Walker

    2016-09-01

    Full Text Available We describe four patients who were treated with primary total hip arthroplasty (THA at two tertiary academic Australian teaching hospitals that experienced premature failure of head-neck trunnions through dissociation of the head-neck taper junction. This retrospective case series have similar clinical presentations and macroscopic pathology with severe head-neck taper junction loss of material, corrosion and early catastrophic failure. It is proposed that the accelerated wear is related to use of varus offset neck in a proprietary beta titanium alloy (Ti-12Mo-6Zr-2Fe  or TMZFÒ Stryker Osteonics, Mahwah NJ, USA TMZF femoral stem, longer head-neck combination in a relatively active, older, male patient population. In this limited case series presentation was on average 80 months (range 53-92 following index procedure. In three of the four patients, a prodromal period of groin or buttock pain was reported for between 1 week and 2 months prior to acute presentation. Significant metallosis and local tissue damage including gluteal muscle insufficiency was evident. Each stem revised was well fixed. An extended trochanteric osteotomy was required in two of the four cases for stem extraction. We recommend caution and further evaluation on the relationship between TMZF metal alloy and its longevity in higher demand patients with high neck offset, varus stem geometry and large CoCr bearing heads.

  12. Metallic materials for heat exchanger components and highly stressed internal of HTR reactors for nuclear process heat generation

    International Nuclear Information System (INIS)

    1982-01-01

    The programme was aimed at the development and improvement of materials for the high-temperature heat exchanger components of a process steam HTR. The materials must have high resistance to corrosion, i.e. carburisation and internal oxidation, and high long-term toughness over a wide range of temperatures. They must also meet the requirements set in the nuclear licensing procedure, i.e. resistance to cyclic stress and irradiation, non-destructive testing, etc. Initially, it was only intended to improve and qualify commercial alloys. Later on an alloy development programme was initiated in which new, non-commercial alloys were produced and modified for use in a nuclear process heat facility. Separate abstracts were prepared for 19 pays of this volume. (orig./IHOE) [de

  13. Analysis of results obtained with different cutting techniques and associated filtration systems for the dismantling of radioactive metallic components

    International Nuclear Information System (INIS)

    Bach, F.W.; Steiner, H.; Schreck, G.

    1993-01-01

    The present joint study performed by the Commissariat a l'energie atomique and the Universitaet Hannover and coordinated by the Commission of the European Communities was intended to analyse the results generated in a number of research contracts concerned with cutting tests in air and underwater, with consideration of the prevailing working conditions. The analysis has led to a large database, giving broadly-assessed information for the dismantling of radioactive components. The range of study was enlarged, where possible, to include recently obtained results outside the present research programme, consideration also being given to supplementary cutting tools and filtration systems not covered by the present programme. Data was concentrated in structured information packages on practical experience available for a series of cutting tools and filters. These were introduced into a computerized user-friendly databank, to be considered as a first-stage development, which should be continuously updated and possibly oriented in the future to an expert system

  14. [Evaluation of the content and migration of heavy metals in components of river ecosystems’ of mining territories of the Republic of Bashkortostan].

    Science.gov (United States)

    Baktybaeva, Z B; Suleymanov, R A; Yamalov, S M; Kulagin, A A; Valeev, T K; Rakhmatullin, N R

    Exploration and development of mineral deposits in the Transurals of the Republic of Bashkortostan are accompanied by a comprehensive environmental impact. Ones of the most vulnerable elements of the landscape are the surface water bodies used for fishery purposes, recreation and household needs of the population. Extraction and processing of ores lead to the contamination of aquatic ecosystems by heavy metals (HM), which by passing into a pond, can actively be involved in the cycling of matter and migrate via food chains to the human under the consumption of fish products. Possessing by cumulative properties, HM can express mutagenic, teratogenic and carcinogenic properties. The aim of research was the study of the impact of mining facilities on the content of the priority HM in the components of river ecosystems in the Transurals of the Republic of Bashkortostan and the development of a complex of preventive measures on the improvement of the human environment. There was studied the content of Zn, Cu and Cd in the water, bottom sediments and phytomass of Elodea canadensis Michx. The measurements of mass concentrations of metals were performed by stripping voltammetry with the use of the STA device. The results showed that for the cross-sections there is typical the following descending series of elements in the river components: Zn > Cu > Cd. In water samples there is observed the exceedance of standards for water bodies of potable, cultural and community water use and fishery basins. The concentration of zinc varies in the range of 0.016-5.24 mg/dm; copper - 0.0024-0.095 mg/dm; cadmium - 0.0001-0.019 mg/dm. In bottom sediments, in general, the content of metals in comparison with control plots is increased to the tenfold value. The meaning of mobile forms of zinc in the ground varies in the range of 0.81-9.62 mg/kg; copper - 0.12-18.69 mg/kg; cadmium - 0.00013-0.092 mg/kg. The zinc concentration in above-ground phytomass of Elodea canadensis compared to control

  15. The dehydrogenase region of the NADPH oxidase component Nox2 acts as a protein disulfide isomerase (PDI) resembling PDIA3 with a role in the binding of the activator protein p67phox

    Science.gov (United States)

    Bechor, Edna; Dahan, Iris; Fradin, Tanya; Berdichevsky, Yevgeny; Zahavi, Anat; Rafalowski, Meirav; Federman-Gross, Aya; Pick, Edgar

    2015-02-01

    The superoxide (O2.-)-generating NADPH oxidase of phagocytes consists of a membrane component, cytochrome b558 (a heterodimer of Nox2 and p22phox), and four cytosolic components, p47phox, p67phox, p40phox, and Rac. The catalytic component, responsible for O2.- generation, is Nox2. It is activated by the interaction of the dehydrogenase region (DHR) of Nox2 with the cytosolic components, principally with p67phox. Using a peptide-protein binding assay, we found that Nox2 peptides containing a 369CysGlyCys371 triad (CGC) bound p67phox with high affinity, dependent upon the establishment of a disulfide bond between the two cysteines. Serially truncated recombinant Nox2 DHR proteins bound p67phox only when they comprised the CGC triad. CGC resembles the catalytic motif (CGHC) of protein disulfide isomerases (PDIs). This led to the hypothesis that Nox2 establishes disulfide bonds with p67phox via a thiol-dilsulfide exchange reaction and, thus, functions as a PDI. Evidence for this was provided by the following: 1. Recombinant Nox2 protein, which contained the CGC triad, exhibited PDI-like disulfide reductase activity; 2. Truncation of Nox2 C-terminal to the CGC triad or mutating C369 and C371 to R, resulted in loss of PDI activity; 3. Comparison of the sequence of the DHR of Nox2 with PDI family members revealed three small regions of homology with PDIA3; 4. Two monoclonal anti-Nox2 antibodies, with epitopes corresponding to regions of Nox2/PDIA3 homology, reacted with PDIA3 but not with PDIA1; 5. A polyclonal anti-PDIA3 (but not an anti-PDIA1) antibody reacted with Nox2; 6. p67phox, in which all cysteines were mutated to serines, lost its ability to bind to a Nox2 peptide containing the CGC triad and had an impaired capacity to support oxidase activity in vitro. We propose a model of oxidase assembly in which binding of p67phox to Nox2 via disulfide bonds, by virtue of the intrinsic PDI activity of Nox2, stabilizes the primary interaction between the two components.

  16. Engineering metal-binding sites of bacterial CusF to enhance Zn/Cd accumulation and resistance by subcellular targeting

    International Nuclear Information System (INIS)

    Yu, Pengli; Yuan, Jinhong; Zhang, Hui; Deng, Xin; Ma, Mi; Zhang, Haiyan

    2016-01-01

    Highlights: • mCusF is specifically targeted to different subcellular compartments in Arabidopsis. • Plants expressing vacuole-targeted mCusF exhibit strongest Zn resistance. • All transgenic lines accumulate more Zn under Zn exposure. • All transgenic lines enhance root-to-shoot translocation of Cd. • Metal homeostasis is improved in mCusF plants under Cd exposure. - Abstract: The periplasmic protein CusF acts as a metallochaperone to mediate Cu resistance in Escherichia coli. CusF does not contain cysteine residues and barely binds to divalent cations. Here, we addressed effects of cysteine-substitution mutant (named as mCusF) of CusF on zinc/cadmium (Zn/Cd) accumulation and resistance. We targeted mCusF to different subcellular compartments in Arabidopsis. We found that plants expressing vacuole-targeted mCusF were more resistant to excess Zn than WT and plants with cell wall-targeted or cytoplasmic mCusF. Under long-term exposure to excess Zn, all transgenic lines accumulated more Zn (up to 2.3-fold) in shoots than the untransformed plants. Importantly, plants with cytoplasmic mCusF showed higher efficiency of Zn translocation from root to shoot than plants with secretory pathway-targeted-mCusF. Furthermore, the transgenic lines exhibited enhanced resistance to Cd and significant increase in root-to-shoot Cd translocation. We also found all transgenic plants greatly improved manganese (Mn) and iron (Fe) homeostasis under Cd exposure. Our results demonstrate heterologous expression of mCusF could be used to engineer a new phytoremediation strategy for Zn/Cd and our finding also deepen our insights into mechanistic basis for relieving Cd toxicity in plants through proper root/shoot partitioning mechanism and homeostatic accumulation of Mn and Fe.

  17. Engineering metal-binding sites of bacterial CusF to enhance Zn/Cd accumulation and resistance by subcellular targeting

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Pengli; Yuan, Jinhong [Key Laboratory of Plant Resources, Institute of Botany, Chinese Academy of Sciences, Beijing 100093 (China); Zhang, Hui [Key Laboratory of Plant Molecular Physiology, Institute of Botany, Chinese Academy of Sciences, Beijing 100093 (China); Deng, Xin [Department of Chemistry and Institute for Biophysical Dynamics, The University of Chicago, Chicago, IL 60637 (United States); Ma, Mi [Key Laboratory of Plant Resources, Institute of Botany, Chinese Academy of Sciences, Beijing 100093 (China); Zhang, Haiyan, E-mail: hyz@ibcas.ac.cn [Key Laboratory of Plant Resources, Institute of Botany, Chinese Academy of Sciences, Beijing 100093 (China)

    2016-01-25

    Highlights: • mCusF is specifically targeted to different subcellular compartments in Arabidopsis. • Plants expressing vacuole-targeted mCusF exhibit strongest Zn resistance. • All transgenic lines accumulate more Zn under Zn exposure. • All transgenic lines enhance root-to-shoot translocation of Cd. • Metal homeostasis is improved in mCusF plants under Cd exposure. - Abstract: The periplasmic protein CusF acts as a metallochaperone to mediate Cu resistance in Escherichia coli. CusF does not contain cysteine residues and barely binds to divalent cations. Here, we addressed effects of cysteine-substitution mutant (named as mCusF) of CusF on zinc/cadmium (Zn/Cd) accumulation and resistance. We targeted mCusF to different subcellular compartments in Arabidopsis. We found that plants expressing vacuole-targeted mCusF were more resistant to excess Zn than WT and plants with cell wall-targeted or cytoplasmic mCusF. Under long-term exposure to excess Zn, all transgenic lines accumulated more Zn (up to 2.3-fold) in shoots than the untransformed plants. Importantly, plants with cytoplasmic mCusF showed higher efficiency of Zn translocation from root to shoot than plants with secretory pathway-targeted-mCusF. Furthermore, the transgenic lines exhibited enhanced resistance to Cd and significant increase in root-to-shoot Cd translocation. We also found all transgenic plants greatly improved manganese (Mn) and iron (Fe) homeostasis under Cd exposure. Our results demonstrate heterologous expression of mCusF could be used to engineer a new phytoremediation strategy for Zn/Cd and our finding also deepen our insights into mechanistic basis for relieving Cd toxicity in plants through proper root/shoot partitioning mechanism and homeostatic accumulation of Mn and Fe.

  18. Magnetization damping in two-component metal oxide micropowder and nanopowder compacts by broadband ferromagnetic resonance measurements

    Science.gov (United States)

    Youssef, Jamal Ben; Brosseau, Christian

    2006-12-01

    The microwave damping mechanisms in magnetic inhomogeneous systems have displayed a richness of phenomenology that has attracted widespread interest over the years. Motivated by recent experiments, we report an extensive experimental study of the Gilbert damping parameter of multicomponent metal oxides micro- and nanophases. We label the former by M samples, and the latter by N samples. The main thrust of this examination is the magnetization dynamics in systems composed of mixtures of magnetic (γ-Fe2O3) and nonmagnetic (ZnO and epoxy resin) materials fabricated via powder processing. Detailed ferromagnetic resonance (FMR) measurements on N and M samples are described so to determine changes in the microwave absorption over the 6-18GHz frequency range as a function of composition and static magnetic field. The FMR linewidth and the field dependent resonance were measured for the M and N samples, at a given volume fraction of the magnetic phase. The asymmetry in the form and change in the linewidth for the M samples are caused by the orientation distribution of the local anisotropy fields, whereas the results for the N samples suggest that the linewidth is very sensitive to details of the spatial magnetic inhomogeneities. For N samples, the peak-to-peak linewidth increases continuously with the volume content of magnetic material. The influence of the volume fraction of the magnetic phase on the static internal field was also investigated. Furthermore, important insights are gleaned through analysis of the interrelationship between effective permeability and Gilbert damping constant. Different mechanisms have been considered to explain the FMR linewidth: the intrinsic Gilbert damping, the broadening induced by the magnetic inhomogeneities, and the extrinsic magnetic relaxation. We observed that the effective Gilbert damping constant of the series of N samples are found to be substantially smaller in comparison to M samples. This effect is attributed to the surface

  19. Synoptic sampling and principal components analysis to identify sources of water and metals to an acid mine drainage stream.

    Science.gov (United States)

    Byrne, Patrick; Runkel, Robert L; Walton-Day, Katherine

    2017-07-01

    Combining the synoptic mass balance approach with principal components analysis (PCA) can be an effective method for discretising the chemistry of inflows and source areas in watersheds where contamination is diffuse in nature and/or complicated by groundwater interactions. This paper presents a field-scale study in which synoptic sampling and PCA are employed in a mineralized watershed (Lion Creek, Colorado, USA) under low flow conditions to (i) quantify the impacts of mining activity on stream water quality; (ii) quantify the spatial pattern of constituent loading; and (iii) identify inflow sources most responsible for observed changes in stream chemistry and constituent loading. Several of the constituents investigated (Al, Cd, Cu, Fe, Mn, Zn) fail to meet chronic aquatic life standards along most of the study reach. The spatial pattern of constituent loading suggests four primary sources of contamination under low flow conditions. Three of these sources are associated with acidic (pH mine water in the Minnesota Mine shaft located to the north-east of the river channel. In addition, water chemistry data during a rainfall-runoff event suggests the spatial pattern of constituent loading may be modified during rainfall due to dissolution of efflorescent salts or erosion of streamside tailings. These data point to the complexity of contaminant mobilisation processes and constituent loading in mining-affected watersheds but the combined synoptic sampling and PCA approach enables a conceptual model of contaminant dynamics to be developed to inform remediation.

  20. A Data-driven Study of RR Lyrae Near-IR Light Curves: Principal Component Analysis, Robust Fits, and Metallicity Estimates

    Science.gov (United States)

    Hajdu, Gergely; Dékány, István; Catelan, Márcio; Grebel, Eva K.; Jurcsik, Johanna

    2018-04-01

    RR Lyrae variables are widely used tracers of Galactic halo structure and kinematics, but they can also serve to constrain the distribution of the old stellar population in the Galactic bulge. With the aim of improving their near-infrared photometric characterization, we investigate their near-infrared light curves, as well as the empirical relationships between their light curve and metallicities using machine learning methods. We introduce a new, robust method for the estimation of the light-curve shapes, hence the average magnitudes of RR Lyrae variables in the K S band, by utilizing the first few principal components (PCs) as basis vectors, obtained from the PC analysis of a training set of light curves. Furthermore, we use the amplitudes of these PCs to predict the light-curve shape of each star in the J-band, allowing us to precisely determine their average magnitudes (hence colors), even in cases where only one J measurement is available. Finally, we demonstrate that the K S-band light-curve parameters of RR Lyrae variables, together with the period, allow the estimation of the metallicity of individual stars with an accuracy of ∼0.2–0.25 dex, providing valuable chemical information about old stellar populations bearing RR Lyrae variables. The methods presented here can be straightforwardly adopted for other classes of variable stars, bands, or for the estimation of other physical quantities.

  1. Three techniques for the fabrication of high precision, mm-sized metal components based on two-photon lithography, applied for manufacturing horn antennas for THz transceivers

    Science.gov (United States)

    Standaert, Alexander; Brancato, Luigi; Lips, Bram; Ceyssens, Frederik; Puers, Robert; Reynaert, Patrick

    2018-03-01

    This paper proposes a novel packaging solution which integrates micro-machined 3D horn antennas with millimeter-wave and THz tranceivers. This packaging solution is shown to be a valid competitor to existing technologies like metallic split-block waveguides and low temperature cofired ceramics. Three different fabrication methods based on two-photon lithography are presented to form the horn antennas. The first uses two-photon lithography to form the bulk of the antenna. This structure is then metalised through physical vapor deposition (PVD) and copper plating. The second fabrication method makes use of a soft polydimethylsiloxane (PDMS) mold to easily replicate structures and the third method forms the horn antenna through electroforming. A prototype is accurately positioned on top of a 400 GHz 28 nm CMOS transmitter and glued in place with epoxy, thus providing a fully packaged solution. Measurement results show a 12 dB increase in the antenna gain when using the packaged solution. The fabrication processes are not limited to horn antennas alone and can be used to form a wide range of mm-sized metal components.

  2. A plant small polypeptide is a novel component of DNA-binding protein phosphatase 1-mediated resistance to plum pox virus in Arabidopsis.

    Science.gov (United States)

    Castelló, María José; Carrasco, Jose Luis; Navarrete-Gómez, Marisa; Daniel, Jacques; Granot, David; Vera, Pablo

    2011-12-01

    DNA-binding protein phosphatases (DBPs) have been identified as a novel class of plant-specific regulatory factors playing a role in plant-virus interactions. NtDBP1 from tobacco (Nicotiana tabacum) was shown to participate in transcriptional regulation of gene expression in response to virus infection in compatible interactions, and AtDBP1, its closest relative in the model plant Arabidopsis (Arabidopsis thaliana), has recently been found to mediate susceptibility to potyvirus, one of the most speciose taxa of plant viruses. Here, we report on the identification of a novel family of highly conserved small polypeptides that interact with DBP1 proteins both in tobacco and Arabidopsis, which we have designated DBP-interacting protein 2 (DIP2). The interaction of AtDIP2 with AtDBP1 was demonstrated in vivo by bimolecular fluorescence complementation, and AtDIP2 was shown to functionally interfere with AtDBP1 in yeast. Furthermore, reducing AtDIP2 gene expression leads to increased susceptibility to the potyvirus Plum pox virus and to a lesser extent also to Turnip mosaic virus, whereas overexpression results in enhanced resistance. Therefore, we describe a novel family of conserved small polypeptides in plants and identify AtDIP2 as a novel host factor contributing to resistance to potyvirus in Arabidopsis.

  3. ABF2, an ABRE-binding bZIP factor, is an essential component of glucose signaling and its overexpression affects multiple stress tolerance.

    Science.gov (United States)

    Kim, Sunmi; Kang, Jung-Youn; Cho, Dong-Im; Park, Ji Hye; Kim, Soo Young

    2004-10-01

    Phytohormone abscisic acid (ABA) regulates stress-responsive gene expression during vegetative growth, which is mediated largely by cis-elements sharing the ACGTGGC consensus. Although many transcription factors are known to bind the elements in vitro, only a few have been demonstrated to have in vivo functions and their specific roles in ABA/stress responses are mostly unknown. Here, we report that ABF2, an ABF subfamily member of bZIP proteins interacting with the ABA-responsive elements, is involved in ABA/stress responses. Its overexpression altered ABA sensitivity, dehydration tolerance, and the expression levels of ABA/stress-regulated genes. Furthermore, ABF2 overexpression promoted glucose-induced inhibition of seedling development, whereas its mutation impaired glucose response. The reduced sugar sensitivity was not observed with mutants of two other ABF family members, ABF3 and ABF4. Instead, these mutants displayed defects in ABA, salt, and dehydration responses, which were not observed with the abf2 mutant. Our data indicate distinct roles of ABF family members: whereas ABF3 and ABF4 play essential roles in ABA/stress responses, ABF2 is required for normal glucose response. We also show that ABF2 overexpression affects multiple stress tolerance.

  4. Silencing ß1,2-xylosyltransferase in transgenic tomato fruits reveals xylose as constitutive component of IgE binding epitopes

    Directory of Open Access Journals (Sweden)

    Kathrin Elisabeth Paulus

    2011-08-01

    Full Text Available Complex plant N-glycans containing β1,2-xylose and core α1,3-fucose are regarded as the major class of the so-called ‘carbohydrate cross-reactive determinants’ reactive with IgE antibodies in sera of many allergic patients, but their clinical relevance is still under debate. Plant glycosyltransferases, β1,2-xylosyltransferase (XylT and core α1,3-fucosyltransferase (FucT are responsible for the transfer of β1,2-linked xylose and core α1,3-linked fucose residues to N-glycans of glycoproteins, respectively. To test the clinical relevance of ß 1,2-xylose containing epitopes, expression of the tomato β1,2-xylosyltransferase was down-regulated by RNA interference (RNAi in transgenic plants. Fruits harvested from these transgenic plants were analysed for accumulation of XylT mRNA, abundance of ß1,2-xylose epitopes and their allergenic potential. Based on qPCR analysis XylT mRNA levels were reduced up to 10-fold in independent transgenic lines as compared to untransformed control, whereas no xylosylated N-glycans could be revealed by MS analysis. Immunoblotting using anti-xylose-specific IgG antibodies revealed a strong reduction of ß1,2-xylose containing epitopes. Incubating protein extracts from untransformed controls and XylT_RNAi plants with sera from tomato allergic patients showed a patient-specific reduction in IgE binding, indicating a reduced allergenic potential of XylT_RNAi tomato fruits, in vitro. To elucidate the clinical relevance of ß1,2-xylose containing complex N-glycans skin prick tests were performed demonstrating a reduced responsiveness of tomato allergic patients, in vivo. This study provides strong evidence for the clinical relevance of ß1,2-xylose containing epitopes in vivo.

  5. Hydrothermal, biogenic, and seawater components in metalliferous black shales of the Brooks Range, Alaska: Synsedimentary metal enrichment in a carbonate ramp setting

    Science.gov (United States)

    Slack, John F.; Selby, David; Dumoulin, Julie A.

    2015-01-01

    Trace element and Os isotope data for Lisburne Group metalliferous black shales of Middle Mississippian (early Chesterian) age in the Brooks Range of northern Alaska suggest that metals were sourced chiefly from local seawater (including biogenic detritus) but also from externally derived hydrothermal fluids. These black shales are interbedded with phosphorites and limestones in sequences 3 to 35 m thick; deposition occurred mainly on a carbonate ramp during intermittent upwelling under varying redox conditions, from suboxic to anoxic to sulfidic. Deposition of the black shales at ~335 Ma was broadly contemporaneous with sulfide mineralization in the Red Dog and Drenchwater Zn-Pb-Ag deposits, which formed in a distal marginal basin.Relative to the composition of average black shale, the metalliferous black shales (n = 29) display large average enrichment factors (>10) for Zn (10.1), Cd (11.0), and Ag (20.1). Small enrichments (>2–seawater. Such moderate enrichments, which are common in other metalliferous black shales, suggest wholly marine sources (seawater and biogenic material) for these metals, given similar trends for enrichment factors in organic-rich sediments of modern upwelling zones on the Namibian, Peruvian, and Chilean shelves. The largest enrichment factors for Zn and Ag are much higher (1.4 × 107 and 2.9 × 107, respectively), consistent with an appreciable hydrothermal component. Other metals such as Cu, Pb, and Tl that are concentrated in several black shale samples, and are locally abundant in the Red Dog and Drenchwater Zn-Pb-Ag deposits, may have a partly hydrothermal origin but this cannot be fully established with the available data. Enrichments in Cr (up to 7.8 × 106) are attributed to marine and not hydrothermal processes. The presence in some samples of large enrichments in Eu (up to 6.1 × 107) relative to modern seawater and of small positive Eu anomalies (Eu/Eu* up to 1.12) are considered unrelated to hydrothermal activity, instead

  6. Simple simultaneous determination of soluble and insoluble trace metal components in sea salts by a combined coprecipitation/X-ray fluorescence method

    International Nuclear Information System (INIS)

    Iwatsuki, Masaaki; Ali, Muhammad; Kyotani, Tomohiro; Fukasawa, Tsutomu

    1996-01-01

    An X-ray fluorescence method using the coprecipitation-preconcentration technique has been developed for simple determination of both acid-soluble and insoluble trace metal components, such as manganese, iron, nickel, copper and zinc in sea salts. A salt sample is dissolved in a nitric acid solution, and the residue is filtered off onto a membrane filter. After the pH is adjusted to 7-8, the filtrate is boiled, followed by addition of aluminum carrier, oxine and thionalide solutions. The solution is re-adjusted to pH 9, and kept at 80-85degC for 60 min. The precipitates are filtered off onto another membrane filter. X-Ray fluorescence intensities from two filters loaded with the residue and precipitates are measured and the concentrations of the elements are determined simultaneously using the calibration curves. Detection limits were 0.01 μg g -1 for manganese and copper, 0.04 μg g -1 for nickel and zinc, and 0.05 μg g -1 for iron, regardless of the soluble and the insoluble components. The present method was successfully applied to the analysis of sea salt samples. (author)

  7. Kinematics and Metallicity of M31 Red Giants: The Giant Southern Stream and Discovery of a Second Cold Component at R=20 kpc

    Science.gov (United States)

    Kalirai, Jasonjot S.; Guhathakurta, Puragra; Gilbert, Karoline M.; Reitzel, David B.; Majewski, Steven R.; Rich, R. Michael; Cooper, Michael C.

    2006-04-01

    We present spectroscopic observations of red giant branch (RGB) stars in the Andromeda spiral galaxy (M31), acquired with the DEIMOS instrument on the Keck II 10 m telescope. The three fields targeted in this study are in the M31 spheroid, outer disk, and giant southern stream. In this paper, we focus on the kinematics and chemical composition of RGB stars in the stream field located at a projected distance of R=20 kpc from M31's center. A mix of stellar populations is found in this field. M31 RGB stars are isolated from Milky Way dwarf star contaminants using a variety of spectral and photometric diagnostics. The radial velocity distribution of RGB stars displays a clear bimodality-a primary peak centered at v¯1=-513 km s-1 and a secondary one at v¯2=-417 km s-1-along with an underlying broad component that is presumably representative of the smooth spheroid of M31. Both peaks are found to be dynamically cold with intrinsic velocity dispersions of σ(v)~16 km s-1. The mean metallicity and metallicity dispersion of stars in the two peaks is also found to be similar: ~-0.45 and σ([Fe/H])=0.2. The observed velocity of the primary peak is consistent with that predicted by dynamical models for the stream, but there is no obvious explanation for the secondary peak. The nature of the secondary cold population is unclear: it may represent (1) tidal debris from a satellite merger event that is superimposed on, but unrelated to, the giant southern stream; (2) a wrapped around component of the giant southern stream; or (3) a warp or overdensity in M31's disk at Rdisk>50 kpc (this component is well above the outward extrapolation of the smooth exponential disk brightness profile). Data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous

  8. Directed light fabrication of rhenium components

    Energy Technology Data Exchange (ETDEWEB)

    Milewski, J.O.; Thoma, D.J.; Lewis, G.K.

    1997-02-01

    Directed Light Fabrication (DLF) is a direct metal deposition process that fuses powder, delivered by gas into the focal zone of a high powered laser beam to form fully dense near-net shaped components. This is accomplished in one step without the use of molds, dies, forming, pressing, sintering or forging equipment. DLF is performed in a high purity inert environment free from the contaminants associated with conventional processing such as oxide and carbon pickup, lubricants, binding agents, cooling or cleaning agents. Applications using rhenium have historically been limited in part by its workability and cost. This study demonstrates the ability to fuse rhenium metal powder, using a DLF machine, into free standing rods and describes the associated parameter study. Microstructural comparisons between DLF deposited rhenium and commercial rhenium sheet product is performed. This research combined with existing DLF technology demonstrates the feasibility of forming complex rhenium, metal shapes directly from powder.

  9. Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.

    Science.gov (United States)

    Li, Kunhua; Fielding, Elisha N; Condurso, Heather L; Bruner, Steven D

    2017-07-01

    The enzyme DpgC is included in the small family of cofactor-independent dioxygenases. The chemistry of DpgC is uncommon as the protein binds and utilizes dioxygen without the aid of a metal or organic cofactor. Previous structural and biochemical studies identified the substrate-binding mode and the components of the active site that are important in the catalytic mechanism. In addition, the results delineated a putative binding pocket and migration pathway for the co-substrate dioxygen. Here, structural biology is utilized, along with site-directed mutagenesis, to probe the assigned dioxygen-binding pocket. The key residues implicated in dioxygen trafficking were studied to probe the process of binding, activation and chemistry. The results support the proposed chemistry and provide insight into the general mechanism of dioxygen binding and activation.

  10. Ag(I), Pb(II) and Hg(II) binding to biomolecules studied by Perturbed Angular Correlation of $\\gamma$-rays (PAC) spectroscopy: Function and toxicity of metal ions in biological systems

    CERN Multimedia

    Metal ions display diverse functions in biological systems and are essential components in both protein structure and function, and in control of biochemical reaction paths and signaling. Similarly, metal ions may be used to control structure and function of synthetic biomolecules, and thus be a tool in the design of molecules with a desired function. In this project we address a variety of questions concerning both the function of metal ions in natural systems, in synthetic biomolecules, and the toxic effect of some metal ions. All projects involve other experimental techniques such as NMR, EXAFS, UV-Vis, fluorescence, and CD spectroscopies providing complementary data, as well as interpretation of the experimental data by quantum mechanical calculations of spectroscopic properties.

  11. Differential accumulation of mercury and other trace metals in the food web components of a reservoir impacted by a chlor-alkali plant (Flix, Ebro River, Spain): Implications for biomonitoring

    Energy Technology Data Exchange (ETDEWEB)

    Soto, David X., E-mail: david.soto@ec.gc.ca [Centre for Advanced Studies of Blanes (CEAB-CSIC), Acces a la Cala St. Francesc 14, 17300 Blanes (Spain); Roig, Romero; Gacia, Esperanca; Catalan, Jordi [Centre for Advanced Studies of Blanes (CEAB-CSIC), Acces a la Cala St. Francesc 14, 17300 Blanes (Spain)

    2011-06-15

    Comparative studies of biomonitors of trace metal contamination are relatively scarce. We took advantage of a point source pollution in a reservoir (Flix, Spain) to compare trace metal (Hg, Pb, Cd, Se, As, Zn, Cu, Cr) bioaccumulation patterns among 16 food web components. Our results indicate that most organisms are suitable for Hg biomonitoring, whereas other metals are better monitored by only some of them. Biofilms and zebra mussel were the organisms with larger and more diverse biomonitoring capacity. However, we show that using groups of biomonitors increase the scope and strengths of the conclusions and specific goals can be better addressed. We conclude providing an overview of the strengths and weaknesses of the main organisms considered for biomonitoring trace metals in rivers and reservoirs. - Highlights: > We compare many food web components of a reservoir for trace metal bioaccumulation. > Most organisms are suitable for Hg biomonitoring. > Biofilms and zebra mussel showed more general biomonitoring capacity. > Other organisms showed strengths for specific metals or environmental compartments. > The use of a group of biomonitors increases the scope and strengths of conclusions. - The use of a group of biomonitors increases the scope and strengths of conclusions in trace metal biomonitoring.

  12. Differential accumulation of mercury and other trace metals in the food web components of a reservoir impacted by a chlor-alkali plant (Flix, Ebro River, Spain): Implications for biomonitoring

    International Nuclear Information System (INIS)

    Soto, David X.; Roig, Romero; Gacia, Esperanca; Catalan, Jordi

    2011-01-01

    Comparative studies of biomonitors of trace metal contamination are relatively scarce. We took advantage of a point source pollution in a reservoir (Flix, Spain) to compare trace metal (Hg, Pb, Cd, Se, As, Zn, Cu, Cr) bioaccumulation patterns among 16 food web components. Our results indicate that most organisms are suitable for Hg biomonitoring, whereas other metals are better monitored by only some of them. Biofilms and zebra mussel were the organisms with larger and more diverse biomonitoring capacity. However, we show that using groups of biomonitors increase the scope and strengths of the conclusions and specific goals can be better addressed. We conclude providing an overview of the strengths and weaknesses of the main organisms considered for biomonitoring trace metals in rivers and reservoirs. - Highlights: → We compare many food web components of a reservoir for trace metal bioaccumulation. → Most organisms are suitable for Hg biomonitoring. → Biofilms and zebra mussel showed more general biomonitoring capacity. → Other organisms showed strengths for specific metals or environmental compartments. → The use of a group of biomonitors increases the scope and strengths of conclusions. - The use of a group of biomonitors increases the scope and strengths of conclusions in trace metal biomonitoring.

  13. Hydrothermal, biogenic, and seawater components in metalliferous black shales of the Brooks Range, Alaska: Synsedimentary metal enrichment in a carbonate ramp setting

    Science.gov (United States)

    Slack, John F.; Selby, David; Dumoulin, Julie A.

    2015-01-01

    Trace element and Os isotope data for Lisburne Group metalliferous black shales of Middle Mississippian (early Chesterian) age in the Brooks Range of northern Alaska suggest that metals were sourced chiefly from local seawater (including biogenic detritus) but also from externally derived hydrothermal fluids. These black shales are interbedded with phosphorites and limestones in sequences 3 to 35 m thick; deposition occurred mainly on a carbonate ramp during intermittent upwelling under varying redox conditions, from suboxic to anoxic to sulfidic. Deposition of the black shales at ~335 Ma was broadly contemporaneous with sulfide mineralization in the Red Dog and Drenchwater Zn-Pb-Ag deposits, which formed in a distal marginal basin.Relative to the composition of average black shale, the metalliferous black shales (n = 29) display large average enrichment factors (>10) for Zn (10.1), Cd (11.0), and Ag (20.1). Small enrichments (>2–rare earth elements except Ce, Nd, and Sm. A detailed stratigraphic profile over 23 m in the Skimo Creek area (central Brooks Range) indicates that samples from at and near the top of the section, which accumulated during a period of major upwelling and is broadly correlative with the stratigraphic levels of the Red Dog and Drenchwater Zn-Pb-Ag deposits, have the highest Zn/TOC (total organic carbon), Cu/TOC, and Tl/TOC ratios for calculated marine fractions (no detrital component) of these three metals.Average authigenic (detrital-free) contents of Mo, V, U, Ni, Cu, Cd, Pb, Ge, Re, Se, As, Sb, Tl, Pd, and Au show enrichment factors of 4.3 × 103 to 1.2 × 106 relative to modern seawater. Such moderate enrichments, which are common in other metalliferous black shales, suggest wholly marine sources (seawater and biogenic material) for these metals, given similar trends for enrichment factors in organic-rich sediments of modern upwelling zones on the Namibian, Peruvian, and Chilean shelves. The largest enrichment factors for Zn and Ag

  14. Four-Component Damped Density Functional Response Theory Study of UV/Vis Absorption Spectra and Phosphorescence Parameters of Group 12 Metal-Substituted Porphyrins.

    Science.gov (United States)

    Fransson, Thomas; Saue, Trond; Norman, Patrick

    2016-05-10

    The influences of group 12 (Zn, Cd, Hg) metal-substitution on the valence spectra and phosphorescence parameters of porphyrins (P) have been investigated in a relativistic setting. In order to obtain valence spectra, this study reports the first application of the damped linear response function, or complex polarization propagator, in the four-component density functional theory framework [as formulated in Villaume et al. J. Chem. Phys. 2010 , 133 , 064105 ]. It is shown that the steep increase in the density of states as due to the inclusion of spin-orbit coupling yields only minor changes in overall computational costs involved with the solution of the set of linear response equations. Comparing single-frequency to multifrequency spectral calculations, it is noted that the number of iterations in the iterative linear equation solver per frequency grid-point decreases monotonously from 30 to 0.74 as the number of frequency points goes from one to 19. The main heavy-atom effect on the UV/vis-absorption spectra is indirect and attributed to the change of point group symmetry due to metal-substitution, and it is noted that substitutions using heavier atoms yield small red-shifts of the intense Soret-band. Concerning phosphorescence parameters, the adoption of a four-component relativistic setting enables the calculation of such properties at a linear order of response theory, and any higher-order response functions do not need to be considered-a real, conventional, form of linear response theory has been used for the calculation of these parameters. For the substituted porphyrins, electronic coupling between the lowest triplet states is strong and results in theoretical estimates of lifetimes that are sensitive to the wave function and electron density parametrization. With this in mind, we report our best estimates of the phosphorescence lifetimes to be 460, 13.8, 11.2, and 0.00155 s for H2P, ZnP, CdP, and HgP, respectively, with the corresponding transition

  15. Channel formation by the binding component of Clostridium botulinum C2 toxin: glutamate 307 of C2II affects channel properties in vitro and pH-dependent C2I translocation in vivo.

    Science.gov (United States)

    Blöcker, Dagmar; Bachmeyer, Christoph; Benz, Roland; Aktories, Klaus; Barth, Holger

    2003-05-13

    The binding component (C2II) of the binary Clostridium botulinum C2 toxin mediates transport of the actin ADP-ribosylating enzyme component (C2I) into the cytosol of target cells. C2II (80 kDa) is activated by trypsin cleavage, and proteolytically activated C2II (60 kDa) oligomerizes to heptamers in solution. Activated C2II forms channels in lipid bilayer membranes which are highly cation selective and voltage-gated. A role for this channel in C2I translocation across the cell membrane into the cytosol is discussed. Amino acid residues 303-331 of C2II contain a conserved pattern of alternating hydrophobic and hydrophilic residues, which likely facilitates membrane insertion and channel formation by creating two antiparallel beta-strands. Some of the residues are in strategic positions within the putative C2II channel, in particular, glutamate 307 (E307) localized in its center and glycine 316 (G316) localized on the trans side of the membrane. Here, single-lysine substitutions of these amino acids and the double mutant E307K/G316K of C2II were analyzed in vivo and in artificial lipid bilayer experiments. The pH dependence of C2I transport across cellular membranes was altered, and a pH of properties of C2II were substantially changed by the mutations, as evidenced by reduced cation selectivity. Interestingly, the voltage dependence of wild-type C2II was completely lost for the E307K mutant, which means that E307 is responsible for voltage gating. Chloroquine blocked the E307K mutant channel and intoxication of Vero cells by mutant C2II and C2I, indicating that chloroquine binding does not involve E307. Overall, the voltage gating and cation selectivity of the C2II channel do not play an important role in translocation of C2I into the cytosol.

  16. The relative influence of metal ion binding sites in the I-like domain and the interface with the hybrid domain on rolling and firm adhesion by integrin alpha4beta7.

    Science.gov (United States)

    Chen, JianFeng; Takagi, Junichi; Xie, Can; Xiao, Tsan; Luo, Bing-Hao; Springer, Timothy A

    2004-12-31

    We examined the effect of conformational change at the beta(7) I-like/hybrid domain interface on regulating the transition between rolling and firm adhesion by integrin alpha(4)beta(7). An N-glycosylation site was introduced into the I-like/hybrid domain interface to act as a wedge and to stabilize the open conformation of this interface and hence the open conformation of the alpha(4) beta(7) headpiece. Wild-type alpha(4)beta(7) mediates rolling adhesion in Ca(2+) and Ca(2+)/Mg(2+) but firm adhesion in Mg(2+) and Mn(2+). Stabilizing the open headpiece resulted in firm adhesion in all divalent cations. The interaction between metal binding sites in the I-like domain and the interface with the hybrid domain was examined in double mutants. Changes at these two sites can either counterbalance one another or be additive, emphasizing mutuality and the importance of multiple interfaces in integrin regulation. A double mutant with counterbalancing deactivating ligand-induced metal ion binding site (LIMBS) and activating wedge mutations could still be activated by Mn(2+), confirming the importance of the adjacent to metal ion-dependent adhesion site (ADMIDAS) in integrin activation by Mn(2+). Overall, the results demonstrate the importance of headpiece allostery in the conversion of rolling to firm adhesion.

  17. The Relative Influence of Metal Ion Binding Sites in the I-like Domain and the Interface with the Hybrid Domain on Rolling and Firm Adhesion by Integrin α4β7*

    Science.gov (United States)

    Chen, JianFeng; Takagi, Junichi; Xie, Can; Xiao, Tsan; Luo, Bing-Hao; Springer, Timothy A.

    2015-01-01

    We examined the effect of conformational change at the β7 I-like/hybrid domain interface on regulating the transition between rolling and firm adhesion by integrin α4β7. An N-glycosylation site was introduced into the I-like/hybrid domain interface to act as a wedge and to stabilize the open conformation of this interface and hence the open conformation of the α4β7 headpiece. Wild-type α4β7 mediates rolling adhesion in Ca2+ and Ca2+/Mg2+ but firm adhesion in Mg2+ and Mn2+. Stabilizing the open headpiece resulted in firm adhesion in all divalent cations. The interaction between metal binding sites in the I-like domain and the interface with the hybrid domain was examined in double mutants. Changes at these two sites can either counterbalance one another or be additive, emphasizing mutuality and the importance of multiple interfaces in integrin regulation. A double mutant with counterbalancing deactivating ligand-induced metal ion binding site (LIMBS) and activating wedge mutations could still be activated by Mn2+, confirming the importance of the adjacent to metal ion-dependent adhesion site (ADMIDAS) in integrin activation by Mn2+. Overall, the results demonstrate the importance of headpiece allostery in the conversion of rolling to firm adhesion. PMID:15448154

  18. Heavy metal / polyacid interaction : an electrochemical study of the binding of Cd(II), Pb(II) and Zn(II) to polycarboxylic and humic acids

    NARCIS (Netherlands)

    Cleven, R.F.M.J.

    1984-01-01

    Polyelectrolyte effects in the interaction of heavy metal ions with model polycarboxylic acids have been described, in order to establish the relevance of these effects in the interaction of heavy metal ions with naturally occurring humic and fulvic acids. The model systems consisted of Cd(II),

  19. Survey of studies on the flow and heat transfer of two-component, two-phase flow of liquid metal in magnetic field

    International Nuclear Information System (INIS)

    Kumamaru, Hiroshige

    1980-01-01

    Brief review of the studies on the flow and heat transfer of two-component, two-phase flow of liquid metal in magnetic field is presented. R.J. Thome measured the distribution of void rate, slip ratio and pressure loss for the two-phase flow of NaK-N 2 under vertical magnetic field. The void rate distribution became even and the slip ratio increased with the increasing magnetic field. The experimental results of pressure loss was compared with the calculation by an equation derived from the homogeneous flow model. R.G. Owen et al. made the analytical studies of the MHD friction loss of two phase flow. Michiyoshi et al. made experimental studies on the hydrodynamic local properties of Hg-Ar two-phase flow of slug region in a vertically ascending tube under magnetic field, and Kimi et al. also made studies on the heat transfer of Hg-Ar flow under magnetic field. Saito et al. measured the slip ratio and pressure loss of NaK-N 2 flow. As a whole, it can be said that the average void rate decreases, and its distribution becomes even under magnetic field. The slip ratio increases, and the friction loss factor becomes nearly one. It was hard to make clear the heat transfer characteristics. (Kato, T.)

  20. Compartmentation of metals in foliage of Populus tremula grown on soils with mixed contamination. II. Zinc binding inside leaf cell organelles.

    Science.gov (United States)

    Vollenweider, Pierre; Bernasconi, Petra; Gautschi, Hans-Peter; Menard, Terry; Frey, Beat; Günthardt-Goerg, Madeleine S

    2011-01-01

    The phytoextraction potential of plants for removing heavy metals from polluted soils is determined by their capacity to store contaminants in aboveground organs and complex them safely. In this study, the metal compartmentation, elemental composition of zinc deposits and zinc complexation within leaves from poplars grown on soil with mixed metal contamination was analysed combining several histochemical and microanalytical approaches. Zinc was the only heavy metal detected and was stored in several organelles in the form of globoid deposits showing β-metachromasy. It was associated to oxygen anions and different cations, noteworthy phosphorous. The deposit structure, elemental composition and element ratios indicated that zinc was chelated by phytic acid ligands. Maturation processes in vacuolar vs. cytoplasmic deposits were suggested by differences in size and amounts of complexed zinc. Hence, zinc complexation by phytate contributed to metal detoxification and accumulation in foliage but could not prevent toxicity reactions therein. Copyright © 2010 Elsevier Ltd. All rights reserved.

  1. Compartmentation of metals in foliage of Populus tremula grown on soils with mixed contamination. II. Zinc binding inside leaf cell organelles

    Energy Technology Data Exchange (ETDEWEB)

    Vollenweider, Pierre, E-mail: pierre.vollenweider@wsl.c [Swiss Federal Institute for Forest, Snow and Landscape Research (WSL), Zuercherstrasse 111, 8903 Birmensdorf (Switzerland); Bernasconi, Petra [Swiss Federal Institute for Forest, Snow and Landscape Research (WSL), Zuercherstrasse 111, 8903 Birmensdorf (Switzerland); Environmental Protection Office (AfU), Aabachstrasse 5, 6300 Zug (Switzerland); Gautschi, Hans-Peter [Centre for Microscopy and Image Analysis (CMI), University of Zurich, Gloriastrasse 30, 8006 Zuerich (Switzerland); Menard, Terry; Frey, Beat; Guenthardt-Goerg, Madeleine S. [Swiss Federal Institute for Forest, Snow and Landscape Research (WSL), Zuercherstrasse 111, 8903 Birmensdorf (Switzerland)

    2011-01-15

    The phytoextraction potential of plants for removing heavy metals from polluted soils is determined by their capacity to store contaminants in aboveground organs and complex them safely. In this study, the metal compartmentation, elemental composition of zinc deposits and zinc complexation within leaves from poplars grown on soil with mixed metal contamination was analysed combining several histochemical and microanalytical approaches. Zinc was the only heavy metal detected and was stored in several organelles in the form of globoid deposits showing {beta}-metachromasy. It was associated to oxygen anions and different cations, noteworthy phosphorous. The deposit structure, elemental composition and element ratios indicated that zinc was chelated by phytic acid ligands. Maturation processes in vacuolar vs. cytoplasmic deposits were suggested by differences in size and amounts of complexed zinc. Hence, zinc complexation by phytate contributed to metal detoxification and accumulation in foliage but could not prevent toxicity reactions therein. - Zinc contaminants translocated to symplast of aged leaves were detoxified by phytic acid ligands.

  2. Compartmentation of metals in foliage of Populus tremula grown on soils with mixed contamination. II. Zinc binding inside leaf cell organelles

    International Nuclear Information System (INIS)

    Vollenweider, Pierre; Bernasconi, Petra; Gautschi, Hans-Peter; Menard, Terry; Frey, Beat; Guenthardt-Goerg, Madeleine S.

    2011-01-01

    The phytoextraction potential of plants for removing heavy metals from polluted soils is determined by their capacity to store contaminants in aboveground organs and complex them safely. In this study, the metal compartmentation, elemental composition of zinc deposits and zinc complexation within leaves from poplars grown on soil with mixed metal contamination was analysed combining several histochemical and microanalytical approaches. Zinc was the only heavy metal detected and was stored in several organelles in the form of globoid deposits showing β-metachromasy. It was associated to oxygen anions and different cations, noteworthy phosphorous. The deposit structure, elemental composition and element ratios indicated that zinc was chelated by phytic acid ligands. Maturation processes in vacuolar vs. cytoplasmic deposits were suggested by differences in size and amounts of complexed zinc. Hence, zinc complexation by phytate contributed to metal detoxification and accumulation in foliage but could not prevent toxicity reactions therein. - Zinc contaminants translocated to symplast of aged leaves were detoxified by phytic acid ligands.

  3. Estimation of the binding modes with important human cytochrome P450 enzymes, drug interaction potential, pharmacokinetics, and hepatotoxicity of ginger components using molecular docking, computational, and pharmacokinetic modeling studies.

    Science.gov (United States)

    Qiu, Jia-Xuan; Zhou, Zhi-Wei; He, Zhi-Xu; Zhang, Xueji; Zhou, Shu-Feng; Zhu, Shengrong

    2015-01-01

    Ginger is one of the most commonly used herbal medicines for the treatment of numerous ailments and improvement of body functions. It may be used in combination with prescribed drugs. The coadministration of ginger with therapeutic drugs raises a concern of potential deleterious drug interactions via the modulation of the expression and/or activity of drug-metabolizing enzymes and drug transporters, resulting in unfavorable therapeutic outcomes. This study aimed to determine the molecular interactions between 12 main active ginger components (6-gingerol, 8-gingerol, 10-gingerol, 6-shogaol, 8-shogaol, 10-shogaol, ar-curcumene, β-bisabolene, β-sesquiphelandrene, 6-gingerdione, (-)-zingiberene, and methyl-6-isogingerol) and human cytochrome P450 (CYP) 1A2, 2C9, 2C19, 2D6, and 3A4 and to predict the absorption, distribution, metabolism, excretion, and toxicity (ADMET) of the 12 ginger components using computational approaches and comprehensive literature search. Docking studies showed that ginger components interacted with a panel of amino acids in the active sites of CYP1A2, 2C9, 2C19, 2D6, and 3A4 mainly through hydrogen bond formation, to a lesser extent, via π-π stacking. The pharmacokinetic simulation studies showed that the [I]/[Ki ] value for CYP2C9, 2C19, and 3A4 ranged from 0.0002 to 19.6 and the R value ranged from 1.0002 to 20.6 and that ginger might exhibit a high risk of drug interaction via inhibition of the activity of human CYP2C9 and CYP3A4, but a low risk of drug interaction toward CYP2C19-mediated drug metabolism. Furthermore, it has been evaluated that the 12 ginger components possessed a favorable ADMET profiles with regard to the solubility, absorption, permeability across the blood-brain barrier, interactions with CYP2D6, hepatotoxicity, and plasma protein binding. The validation results showed that there was no remarkable effect of ginger on the metabolism of warfarin in humans, whereas concurrent use of ginger and nifedipine exhibited a

  4. Argonne Liquid-Metal Advanced Burner Reactor : components and in-vessel system thermal-hydraulic research and testing experience - pathway forward.

    Energy Technology Data Exchange (ETDEWEB)

    Kasza, K.; Grandy, C.; Chang, Y.; Khalil, H.; Nuclear Engineering Division

    2007-06-30

    This white paper provides an overview and status report of the thermal-hydraulic nuclear research and development, both experimental and computational, conducted predominantly at Argonne National Laboratory. Argonne from the early 1970s through the early 1990s was the Department of Energy's (DOE's) lead lab for thermal-hydraulic development of Liquid Metal Reactors (LMRs). During the 1970s and into the mid-1980s, Argonne conducted thermal-hydraulic studies and experiments on individual reactor components supporting the Experimental Breeder Reactor-II (EBR-II), Fast Flux Test Facility (FFTF), and the Clinch River Breeder Reactor (CRBR). From the mid-1980s and into the early 1990s, Argonne conducted studies on phenomena related to forced- and natural-convection thermal buoyancy in complete in-vessel models of the General Electric (GE) Prototype Reactor Inherently Safe Module (PRISM) and Rockwell International (RI) Sodium Advanced Fast Reactor (SAFR). These two reactor initiatives involved Argonne working closely with U.S. industry and DOE. This paper describes the very important impact of thermal hydraulics dominated by thermal buoyancy forces on reactor global operation and on the behavior/performance of individual components during postulated off-normal accident events with low flow. Utilizing Argonne's LMR expertise and design knowledge is vital to the further development of safe, reliable, and high-performance LMRs. Argonne believes there remains an important need for continued research and development on thermal-hydraulic design in support of DOE's and the international community's renewed thrust for developing and demonstrating the Global Nuclear Energy Partnership (GNEP) reactor(s) and the associated Argonne Liquid Metal-Advanced Burner Reactor (LM-ABR). This white paper highlights that further understanding is needed regarding reactor design under coolant low-flow events. These safety-related events are associated with the transition

  5. Benefits of Hot Isostatic Pressure/Powdered Metal (HIP/PM) and Additive Manufacturing (AM) To Fabricate Advanced Energy System Components

    Energy Technology Data Exchange (ETDEWEB)

    Horton, Nancy [Energy Industries of Ohio, Cleveland, OH (United States); Sheppard, Roy [Energy Industries of Ohio, Cleveland, OH (United States)

    2016-12-31

    Advanced Energy systems require large, complex components produced from materials capable of withstanding severe operating environments (high temperature, pressure, corrosivity). Such parts can be difficult to source, as conventional material processing technologies must be tailored to ensure a safe and cost effective approach to large-scale manufacture of quality structural advanced alloy components that meet the performance specifications of AE systems. (HIP/PM) has shown advantages over other manufacturing methods when working with these materials. For example, using HIP’ing in lieu of casting means significant savings in raw material costs, which for expensive, high-nickel alloys can be considerable for large-scale production. Use of HIP/PM also eliminates the difficulties resulting from reactivity of these materials in the molten state and facilitates manufacture of the large size requirements of the AE industry, producing a part that is defect and porosity free, thus further reducing or eliminating time and expense of post processing machining and weld repair. New advances in Additive Manufacturing (AM) techniques make it possible to further expand the benefits of HIP/PM in producing AE system components to create an even more robust manufacturing approach. Traditional techniques of welding and forming sheet metal to produce the HIP canisters can be time consuming and costly, with limitations on the complexity of part which can be achieved. A key benefit of AM is the freedom of design that it offers, so use of AM could overcome such challenges, ultimately enabling redesign of complete energy systems. A critical step toward this goal is material characterization of the required advanced alloys, for use in AM. Using Haynes 282, a high nickel alloy of interest to the Fossil Energy community, particularly for Advanced-UltraSuperCritical (AUSC) operating environments, as well as the crosscutting interests of the aerospace, defense and medical markets, this

  6. Components of the Bond Energy in Polar Diatomic Molecules, Radicals, and Ions Formed by Group-1 and Group-2 Metal Atoms.

    Science.gov (United States)

    Yu, Haoyu; Truhlar, Donald G

    2015-07-14

    Although many transition metal complexes are known to have high multireference character, the multireference character of main-group closed-shell singlet diatomic molecules like BeF, CaO, and MgO has been less studied. However, many group-1 and group-2 diatomic molecules do have multireference character, and they provide informative systems for studying multireference character because they are simpler than transition metal compounds. The goal of the present work is to understand these multireference systems better so that, ultimately, we can apply what we learn to more complicated multireference systems and to the design of new exchange-correlation functionals for treating multireference systems more adequately. Fourteen main-group diatomic molecules and one triatomic molecule (including radicals, cations, and anions, as well as neutral closed-shell species) have been studied for this article. Eight of these molecules contain a group-1 element, and six contain a group-2 element. Seven of these molecules are multireference systems, and eight of them are single-reference systems. Fifty-three exchange-correlation functionals of 11 types [local spin-density approximation (LSDA), generalized gradient approximation (GGA), nonseparable gradient approximation (NGA), global-hybrid GGA, meta-GGA, meta-NGA, global-hybrid meta GGA, range-separated hybrid GGA, range-separated hybrid meta-GGA, range-separated hybrid meta-NGA, and DFT augmented with molecular mechanics damped dispersion (DFT-D)] and the Hartree-Fock method have been applied to calculate the bond distance, bond dissociation energy (BDE), and dipole moment of these molecules. All of the calculations are converged to a stable solution by allowing the symmetry of the Slater determinant to be broken. A reliable functional should not only predict an accurate BDE but also predict accurate components of the BDE, so each bond dissociation energy has been decomposed into ionization potential (IP) of the electropositive

  7. Proposal of reference stress for a surface flaw on a cylindrical component from a review-with-comparison of the local metal loss assessment rule between API 579-1 and the p-M diagram method

    International Nuclear Information System (INIS)

    Oyamada, Kenji; Konosu, Shinji; Ohno, Takashi

    2011-01-01

    The Remaining Strength Factor (RSF) approach in Part 5 of API 579-1/ASME FFS-1 is an assessment method for a cylindrical component with a local metal loss based on surface correction factors. Also, reference stress solutions that are applied in the Failure Assessment Diagram (FAD) method for a cylindrical component with a crack-like flaw are provided in Annex D using surface correction factors. In the recently-developed p-M diagram method, the reference stress solution for local metal loss evaluation in a cylindrical