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Sample records for ion binding properties

  1. Composite sorbents of inorganic ion-exchangers and polyacrylonitrile binding matrix. Methods of modification of properties of inorganic ion-exchangers for application in column packed beds

    International Nuclear Information System (INIS)

    Sebesta, F.

    1997-01-01

    Methods of preparation of granules of inorganic ion exchangers as well as methods for improvement of granular strength of these materials are reviewed. The resulting ion exchangers are classified in three groups - 'intrinsic', supported and composite ion exchangers. Their properties are compared and possibilities of their technological application are evaluated. A new method of preparation of inorganic-organic composite sorbents of inorganic ion-exchangers and polyacrylonitrile binding matrix is described, advantages and disadvantages of such sorbents are discussed. Proposed fields of application include tratment of liquid radioactive and/or hazardous wastes, decontamination of natural water as well as analytical applications. (author)

  2. 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

  3. Synthesis and ion-binding properties of polymeric pseudocrown ethers II: Template ion induced cyclization of oligomeric ethylene glycol diacrylates

    Energy Technology Data Exchange (ETDEWEB)

    Mathur, A.M.; Scranton, A.B. [Michigan State Univ., East Lansing, MI (United States)

    1997-01-01

    Inexpensive polymeric pseudocrown ethers have been synthesized based upon a {open_quotes}template ion{close_quotes} effect in which oligomeric ethylene glycol diacrylates are induced to assume a circular conformation in which the unsaturated end-groups are in proximity. This synthetic scheme has considerable potential for the development of inexpensive materials for binding of target cations. In this contribution, the authors report a spectroscopic study of the induced cyclization caused by ion-dipole interactions between the templating cation and the electron lone pairs of the ethylene glycol ether linkages. Fluorescence spectroscopy was used to provide insight into the templatization process by examining excimer formation in pyrene end-labeled oligomeric ethylene glycol both in the absence and in the presence of the templating ion. Pyrene end-labeled tetraethylene glycol and pentaethylene glycol were synthesized and excimer fluorescence enhancement was studied with the introduction of cations such as nickel, chromium and tin in solvents such as tetrahydrofuran and chloroform. An increase in excimer fluorescence indicated enhanced excimer formation due to the templating effect of the cation which results in the end groups being close to each other. Molecular dynamics simulations of pyrene end-labeled ligands were performed to elucidate the effect of the large fluorescent chromophores on the chain conformations.

  4. Structural properties of the intrinsically disordered, multiple calcium ion-binding otolith matrix macromolecule-64 (OMM-64).

    Science.gov (United States)

    Poznar, Monika; Hołubowicz, Rafał; Wojtas, Magdalena; Gapiński, Jacek; Banachowicz, Ewa; Patkowski, Adam; Ożyhar, Andrzej; Dobryszycki, Piotr

    2017-11-01

    Fish otoliths are calcium carbonate biominerals that are involved in hearing and balance sensing. An organic matrix plays a crucial role in their formation. Otolith matrix macromolecule-64 (OMM-64) is a highly acidic, calcium-binding protein (CBP) found in rainbow trout otoliths. It is a component of high-molecular-weight aggregates, which influence the size, shape and polymorph of calcium carbonate in vitro. In this study, a protocol for the efficient expression and purification of OMM-64 was developed. For the first time, the complete structural characteristics of OMM-64 were described. Various biophysical methods were combined to show that OMM-64 occurs as an intrinsically disordered monomer. Under denaturing conditions (pH, temperature) OMM-64 exhibits folding propensity. It was determined that OMM-64 binds approximately 61 calcium ions with millimolar affinity. The folding-unfolding experiments showed that calcium ions induced the collapse of OMM-64. The effect of other counter ions present in trout endolymph on OMM-64 conformational changes was studied. The significance of disordered properties of OMM-64 and the possible function of this protein is discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Binding energy of protonium ions

    Science.gov (United States)

    Assad Abdel-Raouf, Mohamed

    2009-11-01

    The goal of the present work is to calculate the binding energy of the protonium ions bar PPe+ and bar PPe- using Rayleigh- Ritz variational method. It is indicated that an employment of 21 components of the trial wavefunction yields -0.08793 eV as the ground state energy of these ions. Our result agrees quite well with recently obtained results based on elaborate Monte Carlo approximations. It confirms the possible formation of these ions in laboratory.

  6. Nicotinic acetylcholine receptor: subunit structure, functional binding sites, and ion transport properties

    International Nuclear Information System (INIS)

    Raftery, M.A.; Dunn, S.M.J.; Conti-Tronconi, B.M.; Middlemas, D.S.; Crawford, R.D.

    1983-01-01

    The structure of the nicotinic acetylcholine receptor has been highly conserved during animal evolution, and in all the species and tissues studied so far, including mammals, it is a pseudosymmetric, pentameric complex of related subunits with very similar physical properties. All subunits of these nicotinic receptors were derived from a common ancestral gene, probably by way of gene duplications occurring very early in animal evolution. 45 refs., 8 figs., 2 tabs

  7. Antiviral activity and metal ion-binding properties of some 2-hydroxy-3-methoxyphenyl acylhydrazones.

    Science.gov (United States)

    Carcelli, M; Fisicaro, E; Compari, C; Contardi, L; Rogolino, D; Solinas, C; Stevaert, A; Naesens, L

    2018-02-01

    Here we report on the results obtained from an antiviral screening, including herpes simplex virus, vaccinia virus, vesicular stomatitis virus, Coxsackie B4 virus or respiratory syncytial virus, parainfluenza-3 virus, reovirus-1 and Punta Toro virus, of three 2-hydroxy-3-methoxyphenyl acylhydrazone compounds in three cell lines (i.e. human embryonic lung fibroblast cells, human cervix carcinoma cells, and African Green monkey kidney cells). Interesting antiviral EC 50 values are obtained against herpes simplex virus-1 and vaccinia virus. The biological activity of acylhydrazones is often attributed to their metal coordinating abilities, so potentiometric and microcalorimetric studies are here discussed to unravel the behavior of the three 2-hydroxy-3-methoxyphenyl compounds in solution. It is worth of note that the acylhydrazone with the higher affinity for Cu(II) ions shows the best antiviral activity against herpes simplex and vaccinia virus (EC 50  ~ 1.5 µM, minimal cytotoxic concentration = 60 µM, selectivity index = 40).

  8. Iron ions and haeme modulate the binding properties of complement subcomponent C1q and of immunoglobulins.

    Science.gov (United States)

    Dimitrov, J D; Roumenina, L T; Doltchinkova, V R; Vassilev, T L

    2007-03-01

    The complement system and circulating antibodies play a major role in the defence against infection. They act at the sites of inflammation, where the harsh microenvironment and the oxidative stress lead to the release of free iron ions and haeme. The aim of this study was to analyse the consequences of the exposure of C1q and immunoglobulins to iron ions or haeme. The changes in target recognition by C1q and in the rheumatoid factor activity of the immunoglobulins were investigated. The exposure of C1q to ferrous ions increased its binding to IgG and to IgM. In contrast, haeme inhibited C1q binding to all studied targets, especially to IgG1 and C-reactive protein. Thus, the haeme released as a result of tissue damage and oxidative stress may act as a negative feedback regulator of an inappropriate complement triggering as seen in ischaemia-reperfusion tissue injury. The results also show that iron ions and haeme were able to reveal rheumatoid factor activity of IgG. The modulation of the C1q-target binding as well as the revealing of rheumatoid factor activity of IgG by exposure to redox-active agents released at the sites of inflammation may have important consequences for the understanding of the immunopathological mechanisms of inflammatory and autoimmune diseases.

  9. Lanthanide ion containing polymers; investigation of the ion binding properties of tactic poly (methacrylic acid) and degradation of polymers by γ-irradiation using Tb3+ ion as a fluorescent probe

    International Nuclear Information System (INIS)

    Okamoto, Yoshiyuki; Lujan, H.; Cho, Myung D.

    1994-01-01

    Fluorescence properties of lanthanide ions, such as Tb 3+ and Eu 3+ , are extremely sensitive to their environment. Thus, the authors have studied ionomer structure and the ion binding properties of synthetic polyelectrolytes using a Tb 3+ fluorescence probe. They observed that the fluorescence intensity of the isotactic poly (methacrylic acid)-Tb 3+ complex was much larger than that of the syndiotactic poly (methacrylic acid)-Tb 3+ complex. The results indicated that isotactic PMA is bound more strongly with Tb 3+ ion than syndiotactic PMA. They have also investigated the degradation of various polymers in aqueous solution and in the solid state using Tb 3+ fluorescence probe. When poly(ethylene oxide) blended with TbCl 3 films were irradiated with γ-irradiation in air, the fluorescence intensity of Tb 3+ was found to be greatly increased. This result suggests that radiolysis caused chain degradation of PEO and produced carbonyl groups (aldehyde moiety) at the end of the cleaved polymer chain. The chromophore moiety produced transfers energy to the Tb 3+ ion sited within the non-radiative energy transfer distance. It is suggested that blended films of PEO with Tb 3+ may used as convenient and fast detectors of γ-irradiation doses

  10. Binding of corroded ions to human saliva.

    Science.gov (United States)

    Mueller, H J

    1985-05-01

    Employing equilibrium dialysis, the binding abilities of Cu, Al, Co and Cr ions from corroded Cu-Al and Co-Cr dental casting alloys towards human saliva and two of its gel chromatographic fractions were determined. Results indicate that both Cu and Co bind to human saliva i.e. 0.045 and 0.027 mg/mg protein, respectively. Besides possessing the largest binding ability, Cu also possessed the largest binding capacity. The saturation of Cu binding was not reached up to the limit of 0.35 mg protein/ml employed in the tests, while Co reached full saturation at about 0.2 mg protein/ml. Chromium showed absolutely no binding to human saliva while Al ions did not pass through the dialysis membranes. Compared to the binding with solutions that were synthetically made up to contain added salivary-type proteins, it is shown that the binding to human saliva is about 1 order of magnitude larger, at least for Cu ions.

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

    Indian Academy of Sciences (India)

    WINTEC

    Abstract. Theoretical investigations have been carried out at B3LYP/6-311++G** level of theory to study the binding interaction of various metal ions, Li+, Na+ and K+ with dehydroannulene systems. The present study reveals that alkali metal ions bind strongly to dehydroannulenes and the passage through the central.

  12. 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.

  13. 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

  14. Production and Characterization of Desmalonichrome Relative Binding Affinity for Uranyl Ions in Relation to Other Siderophores

    Energy Technology Data Exchange (ETDEWEB)

    Mo, Kai-For; Dai, Ziyu; Wunschel, David S.

    2016-06-24

    Siderophores are Fe binding secondary metabolites that have been investigated for their uranium binding properties. Much of the previous work has focused on characterizing hydroxamate types of siderophores, such as desferrioxamine B, for their uranyl binding affinity. Carboxylate forms of these metabolites hold potential to be more efficient chelators of uranyl, yet they have not been widely studied and are more difficult to obtain. Desmalonichrome is a carboxylate siderophore which is not commercially available and so was obtained from the ascomycete fungus Fusarium oxysporum cultivated under Fe depleted conditions. The relative affinity for uranyl binding of desmalonichrome was investigated using a competitive analysis of binding affinities between uranyl acetate and different concentrations of iron(III) chloride using electrospray ionization mass spectrometry (ESI-MS). In addition to desmalonichrome, three other siderophores, including two hydroxamates (desferrioxamine B and desferrichrome) and one carboxylate (desferrichrome A) were studied to understand their relative affinities for the uranyl ion at two pH values. The binding affinities of hydroxymate siderophores to uranyl ion were found to decrease to a greater degree at lower pH as the concentration of Fe (III) ion increases. On the other hand, lowering pH has little impact on the binding affinities between carboxylate siderophores and uranyl ion. Desmalonichrome was shown to have the greatest relative affinity for uranyl at any pH and Fe(III) concentration. These results suggest that acidic functional groups in the ligands are critical for strong chelation with uranium at lower pH.

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

    Indian Academy of Sciences (India)

    WINTEC

    has highest interaction energy of –50∙6 kcal/mol at. B3LYP/6-311++G** level and is 128∙0 kcal/mol more than 1′-K+ complex. Understandably, the binding energy of metal complexes decreases with increase in the size of the metal ion, in accordance with ear- lier results.16,21. Placement of the metal ions at the centroid of ...

  16. High Affinity Binding of Indium and Ruthenium Ions by Gastrins.

    Directory of Open Access Journals (Sweden)

    Graham S Baldwin

    Full Text Available The peptide hormone gastrin binds two ferric ions with high affinity, and iron binding is essential for the biological activity of non-amidated forms of the hormone. Since gastrins act as growth factors in gastrointestinal cancers, and as peptides labelled with Ga and In isotopes are increasingly used for cancer diagnosis, the ability of gastrins to bind other metal ions was investigated systematically by absorption spectroscopy. The coordination structures of the complexes were characterized by extended X-ray absorption fine structure (EXAFS spectroscopy. Changes in the absorption of gastrin in the presence of increasing concentrations of Ga3+ were fitted by a 2 site model with dissociation constants (Kd of 3.3 x 10-7 and 1.1 x 10-6 M. Although the absorption of gastrin did not change upon the addition of In3+ ions, the changes in absorbance on Fe3+ ion binding in the presence of indium ions were fitted by a 2 site model with Kd values for In3+ of 6.5 x 10-15 and 1.7 x 10-7 M. Similar results were obtained with Ru3+ ions, although the Kd values for Ru3+ of 2.6 x 10-13 and 1.2 x 10-5 M were slightly larger than observed for In3+. The structures determined by EXAFS all had metal:gastrin stoichiometries of 2:1 but, while the metal ions in the Fe, Ga and In complexes were bridged by a carboxylate and an oxygen with a metal-metal separation of 3.0-3.3 Å, the Ru complex clearly demonstrated a short range Ru-Ru separation, which was significantly shorter, at 2.4 Å, indicative of a metal-metal bond. We conclude that gastrin selectively binds two In3+ or Ru3+ ions, and that the affinity of the first site for In3+ or Ru3+ ions is higher than for ferric ions. Some of the metal ion-gastrin complexes may be useful for cancer diagnosis and therapy.

  17. Heavy metals binding properties of esterified lemon

    International Nuclear Information System (INIS)

    Arslanoglu, Hasan; Altundogan, Hamdi Soner; Tumen, Fikret

    2009-01-01

    Sorption of Cd 2+ , Cr 3+ , Cu 2+ , Ni 2+ , Pb 2+ and Zn 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 2+ > Cd 2+ > Cu 2+ > Pb 2+ > Zn 2+ > Cr 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 2+ > Cu 2+ > Ni 2+ > Cd 2+ > Zn 2+ > Cr 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 -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 ΔG o and ΔH o values for metals ion sorption on the lemon sorbent showed the process to be spontaneous and exothermic in nature. Relatively low ΔH o values revealed that physical adsorption significantly contributed to the mechanism.

  18. Heavy metals binding properties of esterified lemon.

    Science.gov (United States)

    Arslanoglu, Hasan; Altundogan, Hamdi Soner; Tumen, Fikret

    2009-05-30

    Sorption of Cd(2+), Cr(3+), Cu(2+), Ni(2+), Pb(2+) and Zn(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(2+)>Cd(2+)>Cu(2+)>Pb(2+)>Zn(2+)>Cr(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(2+)>Cu(2+)>Ni(2+)>Cd(2+)>Zn(2+)>Cr(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(-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 DeltaG degrees and DeltaH degrees values for metals ion sorption on the lemon sorbent showed the process to be spontaneous and exothermic in nature. Relatively low DeltaH degrees values revealed that physical adsorption significantly contributed to the mechanism.

  19. 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.

  20. Ions in size-selected aqueous nanodrops: sequential water molecule binding energies and effects of water on ion fluorescence.

    Science.gov (United States)

    Donald, William A; Leib, Ryan D; Demireva, Maria; Williams, Evan R

    2011-11-23

    The effects of water on ion fluorescence were investigated, and average sequential water molecule binding energies to hydrated ions, M(z)(H(2)O)(n), at large cluster size were measured using ion nanocalorimetry. Upon 248-nm excitation, nanodrops with ~25 or more water molecules that contain either rhodamine 590(+), rhodamine 640(+), or Ce(3+) emit a photon with average energies of approximately 548, 590, and 348 nm, respectively. These values are very close to the emission maxima of the corresponding ions in solution, indicating that the photophysical properties of these ions in the nanodrops approach those of the fully hydrated ions at relatively small cluster size. As occurs in solution, these ions in nanodrops with 8 or more water molecules fluoresce with a quantum yield of ~1. Ce(3+) containing nanodrops that also contain OH(-) fluoresce, whereas those with NO(3)(-) do not. This indirect fluorescence detection method has the advantages of high sensitivity, and both the size of the nanodrops as well as their constituents can be carefully controlled. For ions that do not fluoresce in solution, such as protonated tryptophan, full internal conversion of the absorbed 248-nm photon occurs, and the average sequential water molecule binding energies to the hydrated ions can be accurately obtained at large cluster sizes. The average sequential water molecule binding energies for TrpH(+)(H(2)O)(n) and a doubly protonated tripeptide, [KYK + 2H](2+)(H(2)O)(n), approach asymptotic values of ~9.3 (n ≥ 11) and ~10.0 kcal/mol (n ≥ 25), respectively, consistent with a liquidlike structure of water in these nanodrops.

  1. Europium ion as a probe for binding sites to carrageenans

    International Nuclear Information System (INIS)

    Ramos, Ana P.; Goncalves, Rogeria R.; Serra, Osvaldo A.; Zaniquelli, Maria Elisabete D.; Wong, Kenneth

    2007-01-01

    Carrageenans, sulfated polysaccharides extracted from red algae, present a coil-helix transition and helix aggregation dependence on the type and concentration of counterions. In this study, we focus attention on a mixed valence counterion system: Eu 3+ /Na + or K + with different gel-forming carrageenans: kappa, iota, and kappa-2. Results of stationary and time-dependent luminescence showed to be a suitable tool to probe ion binding to both the negatively charged sulfate group and the hydroxyl groups present in the biopolymer. For lower europium ion concentrations, a single longer decay emission lifetime was detected, which was attributed to the binding of europium ion to the carrageenan sulfate groups. An additional decay ascribed to europium binding to hydroxyl groups was observed above a threshold concentration, and this decay was dependent on the carrageenan charge density. Symmetry of the europium ion microenvironment was estimated by the ratio between the intensities of its emission bands, which has been shown to depend on the concentration of europium ions and on the specificity of the monovalent counterion bound to the carrageenan

  2. Inosylyl(3'-->5')inosine (IpI-). Acid-base and metal ion-binding properties of a dinucleoside monophosphate in aqueous solution.

    Science.gov (United States)

    Knobloch, Bernd; Okruszek, Andrzej; Sigel, Helmut

    2008-04-07

    The acidity constants of the (N7)H(+) sites of inosylyl(3'-->5')inosine (IpI(-)) were estimated and those of its (N1)H sites were measured by potentiometric pH titrations in aqueous solution (25 degrees C; I = 0.1 M, NaNO3). The same method was used for the determination of the stability constants of the 1:1 complexes formed between Mg(2+), Co(2+), Ni(2+), Zn(2+), or Cd(2+) (= M(2+)) and (IpI - H)(2-) and, in the case of Mg(2+), also of (IpI - 2H)(3-). The stability constants of the M(IpI)(+) complexes were estimated. The acidity constants of H(inosine)(+) and the stability constants of the M(Ino)(2+) and M(Ino - H)(+) complexes were taken from the literature. The comparison of these and related data allows the conclusion that, in the M(IpI - H) species, chelates are formed; most likely they are preferably of an N7/N7 type. For the metal ions Co(2+), Ni(2+), Zn(2+), or Cd(2+), the formation degrees of the chelates are on the order of 60-80%; no chelates could be detected for the Mg(IpI - H) complexes. It is noteworthy that the (N1)H deprotonation, which leads to the M(IpI - H) species, occurs in all M(IpI)(+) complexes in the physiological pH range of about 7.5 or even below.

  3. Assessment of the binding properties of granuloszint

    Energy Technology Data Exchange (ETDEWEB)

    Schubiger, P.A.; Hasler, P.H.; Novak-Hofer, I.; Blaeuenstein, P.

    1989-09-01

    /sup 123/I-granuloszint (a murine monoclonal antibody - called AK-47 - against NCA-95 glycoprotein of granulocytes) has been proved to be a very convenient and successful radiopharmaceutical for visualizing infectious diseases. For a broad introduction in routine nuclear medicine it was necessary to optimize the labelling method and to determine in vitro exactly those biological and binding parameters which are relevant for an effective application in vivo. Binding to granulocytes has been shown to be specific and saturable (nonspecific binding about 10%) and is not via the Fc part of the antibody. The investigation of the binding properties of /sup 125/I-labelled AK-47 gave the following results: Affinity constant 5x10/sup 8/, 20,000-100,000 epitopes per granulocyte and an immunoreactivity of more than 90%. Labelling with /sup 123/I reduced the immunoreactivity to 40%. The Lindmo method and immunoblotting are used as quality control to check the likely in vivo behaviour of the labelled antibody. There is a good correspondence between the results from the two methods. With our special labelling method and the different in vitro checks we have found a reliable way to control the production and to assure an optimal binding behaviour of /sup 123/I-granuloszint. (orig.).

  4. Microwave/RESIS technique for measurement of heavy ion properties

    Science.gov (United States)

    Lundeen, Stephen; Keele, Julie; Woods, Shannon; Smith, Chris; Fehrenbach, Charles

    2012-06-01

    The subtle but distinctive patterns of binding energies of high-L Rydberg electrons bound to heavy positive ions reveal the ion properties, such as polarizabilities and permanent moments, that control the long-range interactions between ion and the Rydberg electron. A specialized experimental technique, Resonant Excitation Stark Ionization Spectroscopy (RESIS), facilitates study of these fine structure patterns in a wide variety of Rydberg systems. The simplest RESIS measurements use a Doppler-tuned CO2 laser to selectively detect individual high-L Rydberg states in a fast Rydberg beam by resonant excitation to a much higher level, followed by Stark ionization and collection of the resulting ion. Much more precise studies use the selective RESIS excitation to detect direct microwave transitions between Rydberg levels of the same n. Recent microwave/RESIS studies of this type have determined many properties of the ions Th^4+[1], Th^3+[2], and Ni^+[3]. Details of this method will be described, with particular attention to studies of multiply-charged Rydberg ions.[4pt] [1] Chris S. Smith et. al., DAMOP 2012[0pt] [2] Julie A. Keele, et. al., DAMOP 2012[0pt] [3] Shannon L. Woods, et. al. DAMOP 2012

  5. Chirality-induced conformational preferences in peptide-metal ion binding revealed by IR spectroscopy

    NARCIS (Netherlands)

    Dunbar, R.C.; Steill, J.D.; Oomens, J.

    2011-01-01

    Chirality reversal of a residue in a peptide can change its mode of binding to a metal ion, as shown here experimentally by gas-phase IR spectroscopy of peptide−metal ion complexes. The binding conformations of Li+, Na+, and H+ with the ll and dl stereoisomers of PhePhe were compared through IR ion

  6. Chirality-Induced Conformational Preferences in Peptide-Metal Ion Binding Revealed by IR Spectroscopy

    NARCIS (Netherlands)

    Dunbar, R. C.; Steill, J. D.; Oomens, J.

    2011-01-01

    Chirality reversal of a residue in a peptide can change its mode of binding to a metal ion, as shown here experimentally by gas-phase IR spectroscopy of peptide metal ion complexes. The binding conformations of Li+, Na+, and H+ with the LL and DL stereoisomers of PhePhe were compared through IR ion

  7. Spectral characterization and DNA binding properties of lanthanide(III)

    African Journals Online (AJOL)

    Spectral data of complexes suggest that the ligand binds metal ion through pyridine- nitrogen, azomethine-nitrogen and amido-oxygen donor atoms. Electrochemical behaviour of metal complexes was investigated by using cyclic voltammetry. The complexes undergo quasi-reversible one electron reduction. The binding ...

  8. Drug binding properties of neonatal albumin

    DEFF Research Database (Denmark)

    Brodersen, R; Honoré, B

    1989-01-01

    Neonatal and adult albumin was isolated by gel chromatography on Sephacryl S-300, from adult and umbilical cord serum, respectively. Binding of monoacetyl-diamino-diphenyl sulfone, warfarin, sulfamethizole, and diazepam was studied by means of equilibrium dialysis and the binding data were analyzed...... by the method of several acceptable fitted curves. It was found that the binding affinity to neonatal albumin is less than to adult albumin for monoacetyl-diamino-diphenyl sulfone and warfarin. Sulfamethizole binding to the neonatal protein is similarly reduced when more than one molecule of the drug is bound...... per albumin molecule, and binding of the first sulfamethizole molecule is possibly reduced as well. Diazepam binds with equal affinity to the fetal and adult proteins. Among the two main albumin drug-binding functions, for warfarin and diazepam, the former is thus compromised in the newborn infant...

  9. Assessment Criteria of Bentonite Binding Properties

    Directory of Open Access Journals (Sweden)

    S. Żymankowska-Kumon

    2012-09-01

    Full Text Available The criteria, with which one should be guided at the assessment of the binding properties of bentonites used for moulding sands, areproposed in the paper. Apart from the standard parameter which is the active bentonite content, the unrestrained growth indicator should be taken into account since it seems to be more adequate in the estimation of the sand compression strength. The investigations performed for three kinds of bentonites, applied in the Polish foundry plants, subjected to a high temperature influences indicate, that the pathway of changes of the unrestrained growth indicator is very similar to the pathway of changes of the sand compression strength. Instead, the character of changes of the montmorillonite content in the sand in dependence of the temperature is quite different. The sand exhibits the significant active bentonite content, and the sand compression strength decreases rapidly. The montmorillonite content in bentonite samples was determined by the modern copper complex method of triethylenetetraamine (Cu(II-TET. Tests were performed for bentonites and for sands with those bentonites subjected to high temperatures influences in a range: 100-700ºC.

  10. Drug binding properties of neonatal albumin

    DEFF Research Database (Denmark)

    Brodersen, R; Honoré, B

    1989-01-01

    Neonatal and adult albumin was isolated by gel chromatography on Sephacryl S-300, from adult and umbilical cord serum, respectively. Binding of monoacetyl-diamino-diphenyl sulfone, warfarin, sulfamethizole, and diazepam was studied by means of equilibrium dialysis and the binding data were analyzed...... by the method of several acceptable fitted curves. It was found that the binding affinity to neonatal albumin is less than to adult albumin for monoacetyl-diamino-diphenyl sulfone and warfarin. Sulfamethizole binding to the neonatal protein is similarly reduced when more than one molecule of the drug is bound...

  11. Dissecting electrostatic screening, specific ion binding, and ligand binding in an energetic model for glycine riboswitch folding

    Energy Technology Data Exchange (ETDEWEB)

    Lipfert, Jan; Sim, Adelene Y.L.; Herschlag, Daniel; Doniach, Sebastian (Stanford)

    2010-09-17

    Riboswitches are gene-regulating RNAs that are usually found in the 5{prime}-untranslated regions of messenger RNA. As the sugar-phosphate backbone of RNA is highly negatively charged, the folding and ligand-binding interactions of riboswitches are strongly dependent on the presence of cations. Using small angle X-ray scattering (SAXS) and hydroxyl radical footprinting, we examined the cation dependence of the different folding stages of the glycine-binding riboswitch from Vibrio cholerae. We found that the partial folding of the tandem aptamer of this riboswitch in the absence of glycine is supported by all tested mono- and divalent ions, suggesting that this transition is mediated by nonspecific electrostatic screening. Poisson-Boltzmann calculations using SAXS-derived low-resolution structural models allowed us to perform an energetic dissection of this process. The results showed that a model with a constant favorable contribution to folding that is opposed by an unfavorable electrostatic term that varies with ion concentration and valency provides a reasonable quantitative description of the observed folding behavior. Glycine binding, on the other hand, requires specific divalent ions binding based on the observation that Mg{sup 2+}, Ca{sup 2+}, and Mn{sup 2+} facilitated glycine binding, whereas other divalent cations did not. The results provide a case study of how ion-dependent electrostatic relaxation, specific ion binding, and ligand binding can be coupled to shape the energetic landscape of a riboswitch and can begin to be quantitatively dissected.

  12. Binding of iron, zinc, and lead ions from aqueous solution by shea butter (Butyrospermun Parkii) seed husks

    Energy Technology Data Exchange (ETDEWEB)

    Eromosele, I.C.; Otitolaye, O.O. (Federal Univ. of Technology, Yola, Adamawa State (Nigeria))

    1994-08-01

    Several workers have reported on the potential use of agricultural products as substrates for the removal of metal ions from aqueous solutions. These studies demonstrated that considerable amounts of metal ions can be removed from aqueous solutions by cellulosic materials. The merit in the use of the latter is their relative abundance and cheapness compared to conventional materials for the removal of toxic metal ions from waste-waters. In some of the studies, chemical modification of cellulosic materials significantly enhanced their ion-binding properties, providing greater flexibility in their applications to a wide range of heavy metal ions. Shea butter plant (Butyrospermun Parkii) normally grows in the wild within the guinea-savana zone of Nigeria. The seeds are a rich source of edible oils and the husks are usually discarded. The husk is thus available in abundance and, hence, there is reason to examine its ion-binding properties for its possible application in the removal of toxic metal ions from industrial waste-waters. This paper reports on preliminary studies of the sorption of iron, zinc and lead ions from aqueous solution by modified and unmodified shea butter seed husks. 8 refs., 5 figs., 1 tab.

  13. Selective Binding, Self-Assembly and Nanopatterning of the Creutz-Taube Ion on Surfaces

    Directory of Open Access Journals (Sweden)

    Qingling Hang

    2009-02-01

    Full Text Available The surface attachment properties of the Creutz-Taube ion, i.e., [(NH35Ru(pyrazineRu(NH35]5+, on both hydrophilic and hydrophobic types of surfaces were investigated using X-ray photoelectron spectroscopy (XPS. The results indicated that the Creutz-Taube ions only bound to hydrophilic surfaces, such as SiO2 and –OH terminated organic SAMs on gold substrates. No attachment of the ions on hydrophobic surfaces such as –CH3 terminated organic SAMs and poly(methylmethacrylate (PMMA thin films covered gold or SiO2 substrates was observed. Further ellipsometric, atomic force microscopy (AFM and time-dependent XPS studies suggested that the attached cations could form an inorganic analog of the self-assembled monolayer on SiO2 substrate with a “lying-down” orientation. The strong electrostatic interaction between the highly charged cations and the anionic SiO2 surface was believed to account for these observations. Based on its selective binding property, patterning of wide (~200 nm and narrow (~35 nm lines of the Creutz-Taube ions on SiO2 surface were demonstrated through PMMA electron resist masks written by electron beam lithography (EBL.

  14. Characteristics of the brown hagfish Paramyxine atami transthyretin: Metal ion-dependent thyroid hormone binding.

    Science.gov (United States)

    Suzuki, Shunsuke; Kasai, Kentaro; Nishiyama, Norihito; Ishihara, Akinori; Yamauchi, Kiyoshi

    2017-08-01

    Transthyretin (TTR) is a vertebrate-specific protein involved in thyroid hormone distribution in plasma, and its gene is thought to have emerged by gene duplication from the gene for the ancient TTR-related protein, 5-hydroxyisourate hydrolase, at some early stage of chordate evolution. We investigated the molecular and hormone-binding properties of the brown hagfish Paramyxine atami TTR. The amino acid sequence deduced from the cloned hagfish TTR cDNA shared 33-50% identities with those of other vertebrate TTRs but less than 24% identities with those of vertebrate and deuterostome invertebrate 5-hydroxyisourate hydrolases. Hagfish TTR, as well as lamprey and little skate TTRs, had an N-terminal histidine-rich segment, allowing purification by metal-affinity chromatography. The affinity of hagfish TTR for 3,3',5-triiodo-L-thyronine (T3) was 190 times higher than that for L-thyroxine, with a dissociation constant of 1.5-3.9nM at 4°C. The high-affinity binding sites were strongly sensitive to metal ions. Zn 2+ and Cu 2+ decreased the dissociation constant to one-order of magnitude, whereas a chelator, o-phenanthroline, increased it four times. The number of metal ions (mainly Zn 2+ and Cu 2+ ) was approximately 12/TTR (mol/mol). TTR was also a major T3-binding protein in adult hagfish sera and its serum concentration was approximately 8μM. These results suggest that metal ions and the acquisition of N-terminal histidine-rich segment may cooperatively contribute to the evolution toward an ancient TTR with high T3 binding activity from either 5-hydroxyisourate hydrolase after gene duplication. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Generic NICA-Donnan model parameters for metal-ion binding by humic substances

    NARCIS (Netherlands)

    Milne, C.J.; Kinniburgh, D.G.; Riemsdijk, van W.H.; Tipping, E.

    2003-01-01

    A total of 171 datasets of literature and experimental data for metal-ion binding by fulvic and humic acids have been digitized and re-analyzed using the NICA-Donnan model. Generic parameter values have been derived that can be used for modeling in the absence of specific metal-ion binding

  16. Ion binding by humic and fulvic acids: A computational procedure based on functional site heterogeneity and the physical chemistry of polyelectrolyte solutions

    International Nuclear Information System (INIS)

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

    1988-04-01

    Ion binding equilibria for humic and fulvic acids are examined from the point of view of functional site heterogeneity and the physical chemistry of polyelectrolyte solutions. A detailed explanation of the potentiometric properties of synthetic polyelectrolytes and ion-exchange gels is presented first to provide the basis for a parallel consideration of the potentiometric properties exhibited by humic and fulvic acids. The treatment is then extended to account for functional site heterogeneity. Sample results are presented for analysis of the ion-binding reactions of a standard soil fulvic acid (Armadale Horizons Bh) with this approach to test its capability for anticipation of metal ion removal from solution. The ultimate refined model is shown to be adaptable, after appropriate consideration of the heterogeneity and polyelectrolyte factors, to programming already available for the consideration of ion binding by inorganics in natural waters. (orig.)

  17. IBiSA_Tools: A Computational Toolkit for Ion-Binding State Analysis in Molecular Dynamics Trajectories of Ion Channels.

    Science.gov (United States)

    Kasahara, Kota; Kinoshita, Kengo

    2016-01-01

    Ion conduction mechanisms of ion channels are a long-standing conundrum. Although the molecular dynamics (MD) method has been extensively used to simulate ion conduction dynamics at the atomic level, analysis and interpretation of MD results are not straightforward due to complexity of the dynamics. In our previous reports, we proposed an analytical method called ion-binding state analysis to scrutinize and summarize ion conduction mechanisms by taking advantage of a variety of analytical protocols, e.g., the complex network analysis, sequence alignment, and hierarchical clustering. This approach effectively revealed the ion conduction mechanisms and their dependence on the conditions, i.e., ion concentration and membrane voltage. Here, we present an easy-to-use computational toolkit for ion-binding state analysis, called IBiSA_tools. This toolkit consists of a C++ program and a series of Python and R scripts. From the trajectory file of MD simulations and a structure file, users can generate several images and statistics of ion conduction processes. A complex network named ion-binding state graph is generated in a standard graph format (graph modeling language; GML), which can be visualized by standard network analyzers such as Cytoscape. As a tutorial, a trajectory of a 50 ns MD simulation of the Kv1.2 channel is also distributed with the toolkit. Users can trace the entire process of ion-binding state analysis step by step. The novel method for analysis of ion conduction mechanisms of ion channels can be easily used by means of IBiSA_tools. This software is distributed under an open source license at the following URL: http://www.ritsumei.ac.jp/~ktkshr/ibisa_tools/.

  18. Studies on the Binding of Lead and Zinc Ions by Modified Cellulosic ...

    African Journals Online (AJOL)

    substrate contact time, the metal ion concentration, the metal ion type and the substrate type. The amount of these ions absorbed varies with the cellulosic material and in the order Pb (II) > Zn (II). It is shown that the cellulosic materials could bind ...

  19. Polypeptide binding properties of the chaperone calreticulin

    DEFF Research Database (Denmark)

    Jørgensen, C S; Heegaard, N H; Holm, A

    2000-01-01

    to be elucidated. We have investigated the interactions of human calreticulin with denatured ovalbumin, proteolytic digests of ovalbumin, and different available peptides by solid phase assays, size-exclusion chromatography, capillary electrophoresis, and MS. The results show that calreticulin interacts better...... with unfolded ovalbumin than with native ovalbumin, that calreticulin strongly binds components in proteolytic digests of denatured ovalbumin, and that calreticulin interacts strongly with certain synthetic peptides....

  20. Binding of Cu(II) ions to peptides studied by fluorescence spectroscopy and isothermal titration calorimetry

    Science.gov (United States)

    Makowska, Joanna; Żamojć, Krzysztof; Wyrzykowski, Dariusz; Uber, Dorota; Wierzbicka, Małgorzata; Wiczk, Wiesław; Chmurzyński, Lech

    2016-01-01

    Steady-state and time-resolved fluorescence quenching measurements supported by Isothermal Titration Calorimetry (ITC) were used to study the interactions of Cu2 + with four peptides. Two of them were taken from the N-terminal part of the FBP28 protein (formin binding protein) WW domain: Tyr-Lys-Thr-Ala-Asp-Gly-Lys-Thr-Tyr-NH2 (D9) and its mutant Tyr-Lys-Thr-Ala-Asn-Gly-Lys-Thr-Tyr-NH2 (D9_M) as well as two mutated peptides from the B3 domain of the immunoglobulin binding protein G derived from Streptococcus: Asp-Val-Ala-Thr-Tyr-Thr-NH2 (J1) and Glu-Val-Ala-Thr-Tyr-Thr-NH2 (J2). The measurements were carried out at 298.15 K in 20 mM 2-(N-morpholino)ethanesulfonic acid (MES) buffer solution with a pH of 6. The fluorescence of all peptides was quenched by Cu2 + ions. The stoichiometry, conditional stability constants and thermodynamic parameters for the interactions of the Cu2 + ions with D9 and D9_M were determined from the calorimetric data. The values of the conditional stability constants were additionally determined from fluorescence quenching measurements and compared with those obtained from calorimetric studies. There was a good correlation between data obtained from the two techniques. On the other hand, the studies revealed that J1 and J2 do not exhibit an affinity towards metal ions. The obtained results prove that fluorescence quenching experiments may be successfully used in order to determine stability constants of complexes with fluorescent ligands. Finally, based on the obtained results, the coordinating properties of the peptides towards the Cu2 + ions are discussed.

  1. Ion-exchange properties of natural mordenite

    International Nuclear Information System (INIS)

    Chelishchev, N.F.; Volodin, V.F.

    1977-01-01

    Ion exchange properties are studied of natural mordenite Si(Al=4.75) exhibiting adequate mechanical characteristics and sufficient resistance to high temperature acids. Consideration is given to the pattern of exchange ions distribution among mordenite and chloride solutions of K, Cs, Rb, Sr. Mordenite shows sharp selectivity towards large alkali metal cations, particularly Cs + . In these processes the exchange isotherms are characterized by the constant selectivity towards a counterion. For the Sr 2+ -2Na + exchange the isotherm shows a change of selectivity after a definite counterion concentration has been reached in the solution. Correlation between the exchange thermodynamic constants makes it possible to propose the following range of mordenite selectivity towards the cations under study: Cs>Rb>K>Na>Sr

  2. short communication binding of nickel and zinc ions with activated ...

    African Journals Online (AJOL)

    a

    Equilibrium sorption of nickel and zinc ions by the activated carbon was studied using a range of metal ion concentrations. The sorption data was observed to have an adequate fit for the. Langmuir isotherm equation. The level of metal ion uptake was found to be of the order: Ni2+ >. Zn2+. The difference in the removal ...

  3. Electrochemical Characterization of Metal-Binding Properties of Metallothioneins Isolated from M. galloprovincialis

    OpenAIRE

    Raspor, Biserka; Pavičić, Jasenka

    1997-01-01

    Amperometric titrations of defined metallothionein concentrations with the standard CdCl2 solution have been performed in seawater samples at pH > 8, in order to define the metal-binding properties of purified mussel metallothionein component. The concentration of the formed Cd-thionein complex has been assessed in the indirect and direct mode. The results on the available ligand concentration CL for complexing Cd2+ ions and the apparent stability constant K, determined by two procedures are ...

  4. Calculated distortions induced by metal-ion binding to simple oligonucleotide systems: Implications for toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Turner, J.E.; Hingerty, B.E.; England, M.W.; Jacobson, K.B.

    1990-01-01

    We have previously published detailed results of calculations of the binding of the metal ions, Cd{sup 2+} and Ca{sup 2+}, to the dinucleoside monophosphate GpC in water. These ions, which have the same charge and radius, differ enormously in their toxicity to man and other biological systems. Our calculations showed contrasting behavior in the binding of these two metal ions to GpC. We suggest the hypothesis that structural distortions calculated for metal ions binding to simple nucleic-acid systems might serve as a indicator of an ion's potential ability to alter molecular activity and hence to be toxic to an organism. Furthermore, the degree of distortion might be correlated with the degree of toxicity as measured by some suitable criteria. The present paper reports the results of binding calculations for a number of other metal ions, of different valence states, with several dinucleoside monophosphates in water. A general trend of distortion with the type of binding of the metal ions is found. We are seeking quantitative measures of distortion to correlate with indicators of acute toxicity that we have measured for 24 metal ions using mice, Drosophila, and CHO cells. 3 refs., 3 figs.

  5. EMF signals and ion/ligand binding kinetics: prediction of bioeffective waveform parameters.

    Science.gov (United States)

    Pilla, A A; Muehsam, D J; Markov, M S; Sisken, B F

    1999-02-01

    The kinetics of an electromagnetic field (EMF) target pathway are used to estimate frequency windows for EMF bioeffects. Ion/ligand binding is characterized via first order kinetics from which a specific electrical impedance can be derived. The resistance/capacitance properties of the binding pathway impedance, determined by the kinetics of the rate-determining step, define the frequency range over which the target pathway is most sensitive to external EMF. Applied signals may thus be configured such that their spectral content closely matches that of the target, using evaluation of the signal to thermal noise ratio to optimize waveform parameters. Using the approach proposed in this study, a pulsed radio frequency (PRF) waveform, currently employed clinically for soft tissue repair, was returned by modulation of burst duration, producing significant bioeffects at substantially reduced signal amplitude. Application is made to Ca2+/Calmodulin-dependent myosin phosphorylation, for which the binding time constants may be estimated from reported kinetics, neurite outgrowth from embryonic chick dorsal root explants and bone repair in a fracture model. The results showed that the retuned signal produced increased phosphorylation rates, neurite outgrowth and biomechanical strength that were indistinguishable from those produced by the clinical signal, but with a tenfold reduction in peak signal amplitude, approximately 800-fold reduction in average amplitude and approximately 10(6)-fold reduction in average power.

  6. Positive cooperativity of the specific binding between Hg2+ ion and T:T mismatched base pairs in duplex DNA

    International Nuclear Information System (INIS)

    Torigoe, Hidetaka; Miyakawa, Yukako; Ono, Akira; Kozasa, Tetsuo

    2012-01-01

    Highlights: ► Hg 2+ specifically bound with the T:T mismatched base pair at 1:1 molar ratio. ► The binding constant between Hg 2+ and the T:T mismatched base pair was 10 6 M −1 . ► The binding constant was larger than those for nonspecific metal–DNA interactions. ► The binding constant for the second Hg 2+ was larger than that for the first Hg 2+ . ► The positive cooperative binding was observed between Hg 2+ and multiple T:T. - Abstract: Metal-mediated base pairs by the interaction between metal ions and artificial bases in oligonucleotides have been developed for their potential applications in nanotechnology. We recently found that a natural T:T mismatched base pair bound with Hg 2+ ion to form a novel T–Hg–T base pair. Here, we examined the thermodynamic properties of the binding between Hg 2+ and each of the single and double T:T mismatched base pair duplex DNAs by isothermal titration calorimetry. Hg 2+ specifically bound with the T:T mismatched base pair at 1:1 molar ratio with 10 6 M −1 binding constant, which was significantly larger than those for nonspecific metal ion–DNA interactions. In the Hg 2+ –double T:T mismatched base pair interaction, the affinity for the second Hg 2+ binding was significantly larger than that for the first Hg 2+ binding. The positively cooperative binding may be favorable to align multiple Hg 2+ in duplex DNA for the application of the metal-mediated base pairs in nanotechnology.

  7. Molecular mechanism of ATP binding and ion channel activation in P2X receptors

    Energy Technology Data Exchange (ETDEWEB)

    Hattori, Motoyuki; Gouaux, Eric (Oregon HSU)

    2012-10-24

    P2X receptors are trimeric ATP-activated ion channels permeable to Na{sup +}, K{sup +} and Ca{sup 2+}. The seven P2X receptor subtypes are implicated in physiological processes that include modulation of synaptic transmission, contraction of smooth muscle, secretion of chemical transmitters and regulation of immune responses. Despite the importance of P2X receptors in cellular physiology, the three-dimensional composition of the ATP-binding site, the structural mechanism of ATP-dependent ion channel gating and the architecture of the open ion channel pore are unknown. Here we report the crystal structure of the zebrafish P2X4 receptor in complex with ATP and a new structure of the apo receptor. The agonist-bound structure reveals a previously unseen ATP-binding motif and an open ion channel pore. ATP binding induces cleft closure of the nucleotide-binding pocket, flexing of the lower body {beta}-sheet and a radial expansion of the extracellular vestibule. The structural widening of the extracellular vestibule is directly coupled to the opening of the ion channel pore by way of an iris-like expansion of the transmembrane helices. The structural delineation of the ATP-binding site and the ion channel pore, together with the conformational changes associated with ion channel gating, will stimulate development of new pharmacological agents.

  8. Modification of thin film properties by ion bombardment during deposition

    International Nuclear Information System (INIS)

    Harper, J.M.E.; Cuomo, J.J.; Gambino, R.J.; Kaufman, H.R.

    1984-01-01

    Deposition methods involving ion bombardment are described, and the basic processes with which film properties are modified by ion bombardment are summarized. Examples of thin film property modification by ion bombardment during deposition, including effects which are primarily compositional as well as those which are primarily structural are presented. The examples demonstrate the usefulness of ion beam techniques in identifying and controlling the fundamental deposition parameters. 68 refs.; 15 figs.; 1 table

  9. short communication binding of nickel and zinc ions with activated ...

    African Journals Online (AJOL)

    a

    ABSTRACT. Activated carbon was prepared from sugar cane fibre by carbonizing at 500 oC for 30 minutes. ... Equilibrium sorption of nickel and zinc ions by the activated carbon was studied using a range of metal ion .... which means that limited sorption cycles will be required in the treatment of waste water containing the ...

  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. MeRNA: a Database of Metal Ion Binding Sites in RNAStructures

    Energy Technology Data Exchange (ETDEWEB)

    Stefan, Liliana R.; Zhang, Rui; Levitan, Aaron G.; Hendrix, DonnaF.; Brenner, Steven E.; Holbrook, Stephen R.

    2005-10-05

    Metal ions are essential for the folding of RNA into stable tertiary structures and for the catalytic activity of some RNA enzymes. To aid in the study of the roles of metal ions in RNA structural biology, we have created MeRNA (Metals in RNA), a comprehensive compilation of all metal binding sites identified in RNA three-dimensional structures available from the Protein Data Bank (PDB) and Nucleic Acid Database (NDB). Currently, our database contains information relating to binding of 9764 metal ions corresponding to 23 distinct elements; in 256 RNA structures. The metal ion locations were confirmed and ligands characterized using original literature references. MeRNA includes eight manually identified metal-ion binding motifs, which are described in the literature. MeRNA is searchable by PDB identifier, metal ion, method of structure determination, resolution and R-values for X-ray structure, and distance from metal to any RNA atom or to water. New structures with their respective binding motifs will be added to the database as they become available. The MeRNA database will further our understanding of the roles of metal ions in RNA folding and catalysis and have applications in structural and functional analysis, RNA design and engineering.

  12. Synthesis, spectral properties and DNA binding and nuclease ...

    Indian Academy of Sciences (India)

    The central metal is 12 coordinated and the coordination polyhedron around the cerium atom can be described as a distorted icosahedron. The existence of nitrate. . . and CH. . . stacking interactions in the [Ce(BPBH)2(NO3)3] leads to a supramolecular arrangement in its network. The binding properties of these ...

  13. Water-soluble cavitands - synthesis, solubilities and binding properties

    NARCIS (Netherlands)

    Middel, O.; Verboom, Willem; Reinhoudt, David

    2002-01-01

    Water-soluble cavitand receptors have been obtained by the introduction of ionizable groups (5, 21-28, 39) and neutral hydrophilic tetraethylene glycol based dendritic wedges (19, 20). The synthesis of these cavitands and a study of their water solubilities and binding properties toward neutral

  14. NMR Structures and Dynamics in a Prohead RNA Loop that Binds Metal Ions.

    Science.gov (United States)

    Gu, Xiaobo; Park, Sun-Young; Tonelli, Marco; Cornilescu, Gabriel; Xia, Tianbing; Zhong, Dongping; Schroeder, Susan J

    2016-10-06

    Metal ions are critical for RNA structure and enzymatic activity. We present the structure of an asymmetric RNA loop that binds metal ions and has an essential function in a bacteriophage packaging motor. Prohead RNA is a noncoding RNA that is required for genome packaging activity in phi29-like bacteriophage. The loops in GA1 and phi29 bacteriophage share a conserved adenine that forms a base triple, although the structural context for the base triple differs. NMR relaxation studies and femtosecond time-resolved fluorescence spectroscopy reveal the dynamic behavior of the loop in the metal ion bound and unbound forms. The mechanism of metal ion binding appears to be an induced conformational change between two dynamic ensembles rather than a conformational capture mechanism. These results provide experimental benchmarks for computational models of RNA-metal ion interactions.

  15. Heavy metal ion uptake properties of polystyrene-supported ...

    Indian Academy of Sciences (India)

    Metal ion uptake properties of polystyrene-supported chelating polymer resins functionalized with (i) glycine, (ii) hydroxy benzoic acid, (iii) Schiff base and (iv) diethanol amine have been investigated. The effects of pH, time and initial concentration on the uptake of metal ions have been studied. The uptake of metal ion ...

  16. Characterization of Mn(II) ion binding to the amyloid-β peptide in Alzheimer's disease.

    Science.gov (United States)

    Wallin, Cecilia; Kulkarni, Yashraj S; Abelein, Axel; Jarvet, Jüri; Liao, Qinghua; Strodel, Birgit; Olsson, Lisa; Luo, Jinghui; Abrahams, Jan Pieter; Sholts, Sabrina B; Roos, Per M; Kamerlin, Shina C L; Gräslund, Astrid; Wärmländer, Sebastian K T S

    2016-12-01

    Growing evidence links neurodegenerative diseases to metal exposure. Aberrant metal ion concentrations have been noted in Alzheimer's disease (AD) brains, yet the role of metals in AD pathogenesis remains unresolved. A major factor in AD pathogenesis is considered to be aggregation of and amyloid formation by amyloid-β (Aβ) peptides. Previous studies have shown that Aβ displays specific binding to Cu(II) and Zn(II) ions, and such binding has been shown to modulate Aβ aggregation. Here, we use nuclear magnetic resonance (NMR) spectroscopy to show that Mn(II) ions also bind to the N-terminal part of the Aβ(1-40) peptide, with a weak binding affinity in the milli- to micromolar range. Circular dichroism (CD) spectroscopy, solid state atomic force microscopy (AFM), fluorescence spectroscopy, and molecular modeling suggest that the weak binding of Mn(II) to Aβ may not have a large effect on the peptide's aggregation into amyloid fibrils. However, identification of an additional metal ion displaying Aβ binding reveals more complex AD metal chemistry than has been previously considered in the literature. Copyright © 2016 Elsevier GmbH. All rights reserved.

  17. Quaternary Benzyltriethylammonium Ion Binding to the Na,K-ATPase: a Tool to Investigate Extracellular K+ Binding Reactions†

    Science.gov (United States)

    Peluffo, R. Daniel; González-Lebrero, Rodolfo M.; Kaufman, Sergio B.; Kortagere, Sandhya; Orban, Branly; Rossi, Rolando C.; Berlin, Joshua R.

    2009-01-01

    This study examined how the quaternary organic ammonium ion, benzyltriethylamine (BTEA), binds to the Na,K-ATPase to produce membrane potential (VM)-dependent inhibition and tested the prediction that such a VM-dependent inhibitor would display electrogenic binding kinetics. BTEA competitively inhibited K+ activation of Na,K-ATPase activity and steady-state 86Rb+ occlusion. The initial rate of 86Rb+ occlusion was decreased by BTEA to a similar degree whether it was added to the enzyme prior to or simultaneously with Rb+, a demonstration that BTEA inhibits the Na,K-ATPase without being occluded. Several BTEA structural analogues reversibly inhibited Na,K-pump current, but none blocked current in a VM-dependent manner except BTEA and its para-nitro derivative, pNBTEA. Under conditions that promoted electroneutral K+-K+ exchange by the Na,K-ATPase, step changes in VM elicited pNBTEA-activated ouabain-sensitive transient currents that had similarities to those produced with the K+ congener, Tl+. pNBTEA- and Tl+-dependent transient currents both displayed saturation of charge moved at extreme negative and positive VM, equivalence of charge moved during and after step changes in VM, and similar apparent valence. The rate constant (ktot) for Tl+-dependent transient current asymptotically approached a minimum value at positive VM. In contrast, ktot for pNBTEA-dependent transient current was a “U”-shaped function of VM with a minimum value near 0 mV. Homology models of the Na,K-ATPase alpha subunit suggested that quaternary amines can bind to two extracellularly-accessible sites, one of them located at K+ binding sites positioned between transmembrane helices 4, 5, and 6. Altogether, these data revealed important information about electrogenic ion binding reactions of the Na,K-ATPase that are not directly measurable during ion transport by this enzyme. PMID:19621894

  18. The conserved potassium channel filter can have distinct ion binding profiles: structural analysis of rubidium, cesium, and barium binding in NaK2K.

    Science.gov (United States)

    Lam, Yee Ling; Zeng, Weizhong; Sauer, David Bryant; Jiang, Youxing

    2014-08-01

    Potassium channels are highly selective for K(+) over the smaller Na(+). Intriguingly, they are permeable to larger monovalent cations such as Rb(+) and Cs(+) but are specifically blocked by the similarly sized Ba(2+). In this study, we used structural analysis to determine the binding profiles for these permeant and blocking ions in the selectivity filter of the potassium-selective NaK channel mutant NaK2K and also performed permeation experiments using single-channel recordings. Our data revealed that some ion binding properties of NaK2K are distinct from those of the canonical K(+) channels KcsA and MthK. Rb(+) bound at sites 1, 3, and 4 in NaK2K, as it does in KcsA. Cs(+), however, bound predominantly at sites 1 and 3 in NaK2K, whereas it binds at sites 1, 3, and 4 in KcsA. Moreover, Ba(2+) binding in NaK2K was distinct from that which has been observed in KcsA and MthK, even though all of these channels show similar Ba(2+) block. In the presence of K(+), Ba(2+) bound to the NaK2K channel at site 3 in conjunction with a K(+) at site 1; this led to a prolonged block of the channel (the external K(+)-dependent Ba(2+) lock-in state). In the absence of K(+), however, Ba(2+) acts as a permeating blocker. We found that, under these conditions, Ba(2+) bound at sites 1 or 0 as well as site 3, allowing it to enter the filter from the intracellular side and exit from the extracellular side. The difference in the Ba(2+) binding profile in the presence and absence of K(+) thus provides a structural explanation for the short and prolonged Ba(2+) block observed in NaK2K. © 2014 Lam et al.

  19. Surface Charge and Ion Sorption Properties of Titanium Dioxide

    Science.gov (United States)

    Ridley, M. K.; Machesky, M. L.; Wesolowski, D. J.; Finnegan, M. P.; Palmer, D. A.

    2001-12-01

    The interaction of submicron metal oxide particles with natural aqueous solutions results in the hydroxylation of surface sites, which impart a pH-dependent surface charge. The charged submicron particles influence processes such as nanoparticle assembly and alteration, crystal growth rates and morphologies, colloid flocculation, and contaminant transport. The surface charge and ion sorption properties of metal-oxide particles may be studied by potentiometric titrations, using hydrogen-electrode concentration-cells or traditional glass electrodes and an autotitrator. These techniques have been used to quantify the adsorption of various ions (Na+, Rb+, Ca2+, Sr2+, Cl-) on rutile, at ionic strengths up to 1.0 molality and temperatures to 250° C. The crystalline rutile used in these studies is less than 400 nm in diameter, has a BET surface area of 17 m2/g, and the 110 and 100 faces predominate. The negative surface charge of the rutile was enhanced by increasing temperature, increasing ionic strength, and decreasing the ionic radii of the electrolyte cation. Moreover, the addition of a divalent cation significantly enhances the negative charge of the rutile surface. These data have been rationalized with the MUSIC model of Hiemestra and van Riemsdijk, and a Basic Stern layer description of the electric double layer (EDL). Model fitting of the experimental data provides binding constants for the adsorbed counterions and divalent cations, and capacitance values as well as corresponding electrical potential values of the binding planes. Recently, new studies have been initiated to determine particle size affects on the proton induced surface charge and ion sorption properties of titanium dioxide. In these studies, anatase with a BET surface area of 40 and 100 m2/g (primary particle sizes of 40 and 10 nm, respectively) is being investigated. The complexity of both the experimental and modeling procedures increases with decreasing particle size. For example, the fine

  20. Heavy metal ion uptake properties of polystyrene-supported ...

    Indian Academy of Sciences (India)

    Unknown

    at pH 6 they are found to be Cd(II) and Cr(VI) selective. Metal ion uptake properties of resins follow Freundlich's equation. The resins are recyclable and are therefore employed for the removal of heavy metal pollutants from industrial waste water. Keywords. Uptake properties; heavy metal ion; selectivity; recyclability. 1.

  1. Serum albumin forms a lactoferrin-like soluble iron-binding complex in presence of hydrogen carbonate ions.

    Science.gov (United States)

    Ueno, Hiroshi M; Urazono, Hiroshi; Kobayashi, Toshiya

    2014-02-15

    The iron-lactoferrin complex is a common food ingredient because of its iron-solubilizing capability in the presence of hydrogen carbonate ions. However, it is unclear whether the formation of a stable iron-binding complex is limited to lactoferrin. In this study, we investigated the effects of bovine serum albumin (BSA) on iron solubility and iron-catalyzed lipid oxidation in the presence of hydrogen carbonate ions. BSA could solubilize >100-fold molar equivalents of iron at neutral pH, exceeding the specific metal-binding property of BSA. This iron-solubilizing capability of BSA was impaired by thermally denaturing BSA at ≥ 70 °C for 10 min at pH 8.5. The resulting iron-BSA complex inhibited iron-catalyzed oxidation of soybean oil in a water-in-oil emulsion measured using the Rancimat test. Our study is the first to show that BSA, like lactoferrin, forms a soluble iron-binding complex in the presence of hydrogen carbonate ions. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. Binding of ligands to the catalytic zinc ion in horse liver alcohol dehydrogenase.

    Science.gov (United States)

    Syvertsen, C; McKinley-McKee, J S

    1984-01-01

    The affinity of nitrogen and sulfur ligands for the catalytic zinc ion in horse liver alcohol dehydrogenase has been investigated by their influence on the affinity labeling reaction with iodoacetate. All the nitrogen compounds including ammonia, a primary and a secondary amine, and heterocycles containing a pyridine-type nitrogen with the exception of 2,2-dipyridyl were found to activate the affinity labeling reaction. Activation results from inner-sphere ligand coordination to the catalytic zinc ion. Closely related pyridine compounds gave a regular increase in affinity for the enzyme with increasing basicity, as expected for coordination to a metal ion. The sulfur compounds penicillamine and mercaptoethanol also activated the affinity labeling reaction, but dimercaptopropanol bound very tightly as a bidentate inhibited the reaction. The anions hydrosulfide, diethyldithiocarbamate, and cyanide coordinated to the catalytic zinc ion, whereas azide, thiocyanate, tetrazole, and iodide complexed the anion-binding site. The anionic metal ligands increased the rate of inactivation of the enzyme with iodoacetamide by binding to the catalytic zinc ion, while the binding of iodoacetate to the anion-binding site was prevented.

  3. Evaluation of ion binding to DNA duplexes using a size-modified Poisson-Boltzmann theory.

    Science.gov (United States)

    Chu, Vincent B; Bai, Yu; Lipfert, Jan; Herschlag, Daniel; Doniach, Sebastian

    2007-11-01

    Poisson-Boltzmann (PB) theory is among the most widely applied electrostatic theories in biological and chemical science. Despite its reasonable success in explaining a wide variety of phenomena, it fails to incorporate two basic physical effects, ion size and ion-ion correlations, into its theoretical treatment. Recent experimental work has shown significant deviations from PB theory in competitive monovalent and divalent ion binding to a DNA duplex. The experimental data for monovalent binding are consistent with a hypothesis that attributes these deviations to counterion size. To model the observed differences, we have generalized an existing size-modified Poisson-Boltzmann (SMPB) theory and developed a new numerical implementation that solves the generalized theory around complex, atomistic representations of biological molecules. The results of our analysis show that good agreement to data at monovalent ion concentrations up to approximately 150 mM can be attained by adjusting the ion-size parameters in the new size-modified theory. SMPB calculations employing calibrated ion-size parameters predict experimental observations for other nucleic acid structures and salt conditions, demonstrating that the theory is predictive. We are, however, unable to model the observed deviations in the divalent competition data with a theory that only accounts for size but neglects ion-ion correlations, highlighting the need for theoretical descriptions that further incorporate ion-ion correlations. The accompanying numerical solver has been released publicly, providing the general scientific community the ability to compute SMPB solutions around a variety of different biological structures with only modest computational resources.

  4. Study of Binding Properties Between Two New Ibuprofen and Naproxen Based Acyl Hydrazone Derivatives and Trypsin.

    Science.gov (United States)

    Gökoğlu, Elmas; Yılmaz, Esra; Gökoğlu, Esra; Baran, Ayşe Uzgören

    2016-01-01

    Two acyl hydrazone derivatives, AHI and AHN,made from ibuprofen and naproxen-derived hydrazides, were prepared and studied of binding properties with serine protease trypsin by UV-vis absorption and fluorescence quenching at pH 7.4. The results suggest that both hydrazones can interact strongly with trypsin and there are the formation of trypsin-hydrazone complexes. The Stern-Volmer constants, binding constants,binding sites and the corresponding thermodynamic parameters ΔH°, ΔS° and ΔG° were calculated at different temperatures.The effect of common metal ions on the constants was also discussed. The binding modes can be explained on the basis of hydrogen bonds and van der Waals forces. The binding distance(r) ~3 nm between the donor (trypsin) and acceptors (AHI and AHN) was obtained according to Förster's non-radiative energy transfer theory. Moreover, LOD and LOQ of hydrazones were calculated in the presence of trypsin.

  5. Magnetic properties and core electron binding energies of liquid water

    Science.gov (United States)

    Galamba, N.; Cabral, Benedito J. C.

    2018-01-01

    The magnetic properties and the core and inner valence electron binding energies of liquid water are investigated. The adopted methodology relies on the combination of molecular dynamics and electronic structure calculations. Born-Oppenheimer molecular dynamics with the Becke and Lee-Yang-Parr functionals for exchange and correlation, respectively, and includes an empirical correction (BLYP-D3) functional and classical molecular dynamics with the TIP4P/2005-F model were carried out. The Keal-Tozer functional was applied for predicting magnetic shielding and spin-spin coupling constants. Core and inner valence electron binding energies in liquid water were calculated with symmetry adapted cluster-configuration interaction. The relationship between the magnetic shielding constant σ(17O), the role played by the oxygen atom as a proton acceptor and donor, and the tetrahedral organisation of liquid water are investigated. The results indicate that the deshielding of the oxygen atom in water is very dependent on the order parameter (q) describing the tetrahedral organisation of the hydrogen bond network. The strong sensitivity of magnetic properties on changes of the electronic density in the nuclei environment is illustrated by a correlation between σ(17O) and the energy gap between the 1a1[O1s] (core) and the 2a1 (inner valence) orbitals of water. Although several studies discussed the eventual connection between magnetic properties and core electron binding energies, such a correlation could not be clearly established. Here, we demonstrate that for liquid water this correlation exists although involving the gap between electron binding energies of core and inner valence orbitals.

  6. Binding of ArgTX-636 in the NMDA receptor ion channel

    DEFF Research Database (Denmark)

    Poulsen, Mette H; Andersen, Jacob; Christensen, Rune

    2015-01-01

    The N-methyl-d-aspartate receptors (NMDARs) constitute an important class of ligand-gated cation channels that are involved in the majority of excitatory neurotransmission in the human brain. Compounds that bind in the NMDAR ion channel and act as blockers are use- and voltage-dependent inhibitor...

  7. Some properties of ion and cluster plasma

    International Nuclear Information System (INIS)

    Gudzenko, L.I.; Derzhiev, V.I.; Yakovlenko, S.I.

    1982-01-01

    The aggregate of problems connected with the physics of ion and cluster plasma is qualitatively considered. Such a plasma can exist when a dense gas is ionized by a hard ionizer. The conditions for the formation of an ion plasma and the difference between its characteristics and those of an ordinary electron plasma are discussed; a solvated-ion model and the distribution of the clusters with respect to the number of solvated molecules are considered. The recombination rate of the positively and negatively charged clusters is roughly estimated. The parameters of a ball-lightning plasma are estimated on the basis of the cluster model

  8. Some properties of ion and cluster plasma

    Energy Technology Data Exchange (ETDEWEB)

    Gudzenko, L.I.; Derzhiev, V.I.; Yakovlenko, S.I.

    1982-11-01

    The aggregate of problems connected with the physics of ion and cluster plasma is qualitatively considered. Such a plasma can exist when a dense gas is ionized by a hard ionizer. The conditions for the formation of an ion plasma and the difference between its characteristics and those of an ordinary electron plasma are discussed; a solvated-ion model and the distribution of the clusters with respect to the number of solvated molecules are considered. The recombination rate of the positively and negatively charged clusters is roughly estimated. The parameters of a ball-lightning plasma are estimated on the basis of the cluster model.

  9. Spectrofluorometric and Molecular Modeling Studies on Binding of Nitrite Ion with Bovine Hemoglobin: Effect of Nitrite Ion on Amino Acid Residues

    Science.gov (United States)

    Madrakian, T.; Bagheri, H.; Afkhami, A.

    2015-05-01

    The interaction between nitrite ion and bovine hemoglobin was investigated by a spectrofluorometric technique. The experimental results indicated that the interaction causes a static quenching of the fluorescence of bovine hemoglobin, that the binding reaction is spontaneous, and that H-bonding interactions play a major role in binding of this ion to bovine hemoglobin. The formation constant for this interaction was calculated. Based on Förster's theory of nonradiative energy transfer, the binding distance between this ion and bovine hemoglobin was determined. Furthermore, the interaction of nitrite ion with tyrosine and tryptophan was investigated with synchronous fluorescence. There was no significant shift of the maximum emission wavelength with interactions of the mentioned ion with bovine hemoglobin, which implies that interaction of nitrite ion with bovine hemoglobin does not affect the microenvironment around the tryptophan and tyrosine residues. Furthermore, the effect of nitrite ion on amino acid residues of bovine hemoglobin was studied by a molecular docking technique.

  10. Heavy metal ion uptake properties of polystyrene-supported ...

    Indian Academy of Sciences (India)

    Unknown

    concentration on the uptake of metal ions have been studied. The uptake of metal ion depends on pH. The resins are more selective at pH 10 for Pb(II) and Hg(II), whereas at pH 6 they are found to be Cd(II) and Cr(VI) selective. Metal ion uptake properties of resins follow Freundlich's equation. The resins are recyclable and ...

  11. A mononuclear non-heme manganese(IV)-oxo complex binding redox-inactive metal ions.

    Science.gov (United States)

    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

    2013-05-01

    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 Sc(3+) 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.

  12. 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.

  13. Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.

    Science.gov (United States)

    Boura, Evzen; Baumlova, Adriana; Chalupska, Dominika; Dubankova, Anna; Klima, Martin

    2017-06-01

    Phage T4 lysozyme is a well folded and highly soluble protein that is widely used as an insertion tag to improve solubility and crystallization properties of poorly behaved recombinant proteins. It has been used in the fusion protein strategy to facilitate crystallization of various proteins including multiple G protein-coupled receptors, lipid kinases, or sterol binding proteins. Here, we present a structural and biochemical characterization of its novel, metal ions-binding mutant (mbT4L). We demonstrate that mbT4L can be used as a purification tag in the immobilized-metal affinity chromatography and that, in many respects, it is superior to the conventional hexahistidine tag. In addition, structural characterization of mbT4L suggests that mbT4L can be used as a purification tag compatible with X-ray crystallography. © 2017 The Protein Society.

  14. Structural, electrical and catalytic properties of ion-implanted oxides

    NARCIS (Netherlands)

    van Hassel, B.A.; Burggraaf, A.J.

    1989-01-01

    The potential application of ion implantation to modify the surfaces of ceramic materials is discussed. Changes in the chemical composition and microstructure result in important variations of the electrical and catalytic properties of oxides.

  15. Simple molecular model for the binding of antibiotic molecules to bacterial ion channels

    Science.gov (United States)

    Mafé, Salvador; Ramírez, Patricio; Alcaraz, Antonio

    2003-10-01

    A molecular model aimed at explaining recent experimental data by Nestorovich et al. [Proc. Natl. Acad. Sci. USA 99, 9789 (2002)] on the interaction of ampicillin molecules with the constriction zone in a channel of the general bacterial porin, OmpF (outer membrane protein F), is presented. The model extends T. L. Hill's theory for intermolecular interactions in a pair of binding sites [J. Am. Chem. Soc. 78, 3330 (1956)] by incorporating two binding ions and two pairs of interacting sites. The results provide new physical insights on the role of the complementary pattern of the charge distributions in the ampicillin molecule and the narrowest part of the channel pore. Charge matching of interacting sites facilitates drug binding. The dependence of the number of ampicillin binding events per second with the solution pH and salt concentration is explained qualitatively using a reduced number of fundamental concepts.

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

    Science.gov (United States)

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

    2017-01-01

    The identification of metal ion binding sites is important for protein function annotation and the design of new drug molecules. This study presents an effective method of analyzing and identifying the binding residues of metal ions based solely on sequence information. Ten metal ions were extracted from the BioLip database: Zn2+, Cu2+, Fe2+, Fe3+, Ca2+, Mg2+, Mn2+, Na+, K+ and Co2+. The analysis showed that Zn2+, Cu2+, Fe2+, Fe3+, and Co2+ were sensitive to the conservation of amino acids at binding sites, and promising results can be achieved using the Position Weight Scoring Matrix algorithm, with an accuracy of over 79.9% and a Matthews correlation coefficient of over 0.6. The binding sites of other metals can also be accurately identified using the Support Vector Machine algorithm with multifeature parameters as input. In addition, we found that Ca2+ was insensitive to hydrophobicity and hydrophilicity information and Mn2+ was insensitive to polarization charge information. An online server was constructed based on the framework of the proposed method and is freely available at http://60.31.198.140:8081/metal/HomePage/HomePage.html. PMID:28854211

  17. Binding of monovalent alkali metal ions with negatively charged phospholipid membranes.

    Science.gov (United States)

    Maity, Pabitra; Saha, Baishakhi; Kumar, Gopinatha Suresh; Karmakar, Sanat

    2016-04-01

    We have systematically investigated the effect of various alkali metal ions with negatively charged phospholipid membranes. Size distributions of large unilamellar vesicles have been confirmed using dynamic light scattering. Zeta potential and effective charges per vesicle in the presence of various alkali metal ions have been estimated from the measured electrophoretic mobility. We have determined the intrinsic binding constant from the zeta potential using electrostatic double layer theory. The reasonable and consistent value of the intrinsic binding constant of Na(+), found at moderate NaCl concentration (10-100 mM), indicates that the Gouy-Chapman theory cannot be applied for very high (> 100mM) and very low (concentrations. The isothermal titration calorimetry study has revealed that the net binding heat of interaction of the negatively charged vesicles with monovalent alkali metal ions is small and comparable to those obtained from neutral phosphatidylcholine vesicles. The overall endothermic response of binding heat suggests that interaction is primarily entropy driven. The entropy gain might arise due to the release of water molecules from the hydration layer vicinity of the membranes. Therefore, the partition model which does not include the electrostatic contribution suffices to describe the interaction. The binding constant of Na(+) (2.4 ± 0.1 M(-1)), obtained from the ITC, is in agreement with that estimated from the zeta potential (-2.0 M(-1)) at moderate salt concentrations. Our results suggest that hydration dynamics may play a vital role in the membrane solution interface which strongly affects the ion-membrane interaction. Copyright © 2016 Elsevier B.V. All rights reserved

  18. Binding and Anticancer Properties of Plumbagin with Human Serum Albumin.

    Science.gov (United States)

    Gou, Yi; Zhang, Yao; Qi, Jinxu; Kong, Linlin; Zhou, Zuping; Liang, Shichu; Yang, Feng; Liang, Hong

    2015-09-01

    Plumbagin has received extensive attention as a promising anticancer drug. Therefore, we investigated the binding and anticancer properties of plumbagin with human serum albumin. Fluorescence results demonstrated that plumbagin interacts with human serum albumin, although its binding affinity may be affected to various extents by different compounds. The human serum albumin-plumbagin complex structure revealed that plumbagin binds to the hydrophobic cavity in the IIA subdomain of human serum albumin through hydrogen bonding and hydrophobic interactions. The plumbagin-human serum albumin complex enhances cytotoxicity by 2- to 3-fold particularly in cancer cells but has no effect on normal cells in vitro. Compared with the unbound drug, the human serum albumin-plumbagin complex promotes HeLa cell apoptosis and has a stronger capacity for cell cycle arrest at the G2/M phase of HeLa cells. In conclusion, this study contributes to the rational design and development of plumbagin-based drugs and a drug-human serum albumin delivery system. © 2014 John Wiley & Sons A/S.

  19. Ion beam application for improved polymer surface properties

    International Nuclear Information System (INIS)

    Lee, E.H.; Rao, G.R.; Lewis, M.B.; Mansur, L.K.

    1992-01-01

    Various polymeric materials were subjected to bombardment by different energetic ions with energies ranging from 200 to 1000 keV. Tests showed substantial improvements in hardness, wear resistance, oxidation resistance, resistance to chemicals, and electrical conductivity. The magnitude of property changes was strongly dependent upon ion species, energy, dose, and polymer structure. Both hardness and electrical conductivity increased with ion energy and dose. These properties were apparently related to the effectiveness of cross-linking. Ion species with a large electronic stopping cross-section are expected to produce more crosslinking. It is believed that the polymer property improvements are commensurate with the extent of crosslinking, which is responsible for the formation of three-dimensionally-connected, carbon-rich, rigid networks. 22 refs, 5 figs

  20. New generation of composite inorganic ion-exchangers with polyacrylonitrile binding matrix

    International Nuclear Information System (INIS)

    Sebesta, F.; John, J.; Motl, A.; Uvirova, K.; Smrckova, S.

    1998-01-01

    General procedure for treatment of powdered inorganic ion-exchangers using binding polymer - modified polyacrylonitrile (PAN) into beads suitable for the application in column packed beds was proposed earlier. These composite ion-exchangers were tested for many applications, some of them are used in the full-scale treatment of liquid radioactive wastes and/or for radioanalytical purposes. New generation of the composite ion-exchangers was developed to improve their volume exchange capacity and mechanical strength. Further, composite absorbers with new active components or their mixtures were prepared. The possibility of preparation of magnetic composite adsorbers and magnetic composite ion-exchangers was also studied. The new prepared materials were mainly tested for their application in caesium separation from highly active acidic waste streams. The efficiency of AMP-PAN (ammonium molybdophosphate active component) and ferrocyanides based composite ion-exchangers for caesium separation was studied in more details. Possibilities of regeneration of the above mentioned composite ion-exchangers were also studied. In preliminary experiments, mercury sorption from model mixed radioactive wastes onto ferro- and ferricyanide based absorbers was tested. The new generation of composite ion-exchangers with hydrated titanium oxide or sodium titanate as active component was tested for strontium separation from alkaline solutions. (author)

  1. Electrical properties of polymer modified by metal ion implantation

    International Nuclear Information System (INIS)

    Wu Yuguang; Zhang Tonghe; Zhang Huixing; Zhang Xiaoji; Deng Zhiwei; Zhou Gu

    2000-01-01

    Polyethylene terephthalate (PET) has been modified by Ag, Cr, Cu and Si ion implantation with a dose range from 1x10 16 to 2x10 17 ions cm -2 using a metal vapor vacuum arc (MEVVA) source. The electrical properties of PET have been changed after metal ion implantation. The resistivity of implanted PET decreased obviously with an increase of ion dose. When metal ion dose of 2x10 17 cm -2 was selected, the resistivity of PET could be less than 10 Ω cm, but when Si ions are implanted, the resistivity of PET would be up to several hundred Ω cm. The results show that the conductive behavior of a metal ion implanted sample is obviously different from Si implantation one. The changes of the structure and composition have been observed with transmission electron microscope (TEM) and X-ray diffraction (XRD). The surface structure is varying after ion implantation and it is believed that the change would cause the improvement of the conductive properties. The mechanism of electrical conduction will be discussed

  2. Micro-Capillary Coatings Based on Spiropyran Polymeric Brushes for Metal Ion Binding, Detection, and Release in Continuous Flow

    Directory of Open Access Journals (Sweden)

    Aishling Dunne

    2018-04-01

    Full Text Available Micro-capillaries, capable of light-regulated binding and qualitative detection of divalent metal ions in continuous flow, have been realised through functionalisation with spiropyran photochromic brush-type coatings. Upon irradiation with UV light, the coating switches from the passive non-binding spiropyran form to the active merocyanine form, which binds different divalent metal ions (Zn2+, Co2+, Cu2+, Ni2+, Cd2+, as they pass through the micro-capillary. Furthermore, the merocyanine visible absorbance spectrum changes upon metal ion binding, enabling the ion uptake to be detected optically. Irradiation with white light causes reversion of the merocyanine to the passive spiropyran form, with simultaneous release of the bound metal ion from the micro-capillary coating.

  3. Combined sodium ion sensitivity in agonist binding and internalization of vasopressin V1b receptors.

    Science.gov (United States)

    Koshimizu, Taka-Aki; Kashiwazaki, Aki; Taniguchi, Junichi

    2016-05-03

    Reducing Na(+) in the extracellular environment may lead to two beneficial effects for increasing agonist binding to cell surface G-protein coupled receptors (GPCRs): reduction of Na(+)-mediated binding block and reduce of receptor internalization. However, such combined effects have not been explored. We used Chinese Hamster Ovary cells expressing vasopressin V1b receptors as a model to explore Na(+) sensitivity in agonist binding and receptor internalization. Under basal conditions, a large fraction of V1b receptors is located intracellularly, and a small fraction is in the plasma membrane. Decreases in external Na(+) increased cell surface [(3)H]AVP binding and decreased receptor internalization. Substitution of Na(+) by Cs(+) or NH4(+) inhibited agonist binding. To suppress receptor internalization, the concentration of NaCl, but not of CsCl, had to be less than 50 mM, due to the high sensitivity of the internalization machinery to Na(+) over Cs(+). Iso-osmotic supplementation of glucose or NH4Cl maintained internalization of the V1b receptor, even in a low-NaCl environment. Moreover, iodide ions, which acted as a counter anion, inhibited V1b agonist binding. In summary, we found external ionic conditions that could increase the presence of high-affinity state receptors at the cell surface with minimum internalization during agonist stimulations.

  4. Modification of thin film properties by ion bombardment during deposition

    International Nuclear Information System (INIS)

    Harper, J.M.E.; Cuomo, J.J.; Gambino, R.J.; Kaufman, H.R.

    1984-01-01

    Many thin film deposition techniques involve some form of energetic particle bombardment of the growing film. The degree of bombardment greatly influences the film composition, structure and other properties. While in some techniques the degree of bombardment is secondary to the original process design, in recent years more deposition systems are being designed with the capability for controlled ion bombardment of thin films during deposition. The highest degree of control is obtained with ion beam sources which operate independently of the vapor source providing the thin film material. Other plasma techniques offer varying degrees of control of energetic particle bombardment. Deposition methods involving ion bombardment are described, and the basic processes with which film properties are modified by ion bombardment are summarized. (Auth.)

  5. Modification of electrical properties of polymer membranes by ion implantation

    International Nuclear Information System (INIS)

    Dworecki, K.; Hasegawa, T.; Sudlitz, K.; Wasik, S.

    2000-01-01

    This paper presents an experimental study of the electrical properties of polymer ion irradiated polyethylene terephthalate (PET) membranes. The polymer samples have been implanted with a variety of ions (O 5+ , N 4+ , Kr 9+ ) by the energy of 10 keV/q up to doses of 10 15 ions/cm 2 and then they were polarized in an electric field of 4.16x10 6 V/m at non-isothermal conditions. The electrical properties and the changes in the chemical structure of implanted membrane were measured by conductivity and discharge currents and FTIR spectra. Electrical conductivity of the membranes PET increases to 1-3 orders of magnitude after implantation and is determined by the charge transport caused by free space charge and by thermal detrapping of charge carriers. The spectra of thermally induced discharge current (TDC) shows that ion irradiated PET membranes are characterized by high ability to accumulate charge

  6. Synthesis, characterization and ion exchange properties of ...

    Indian Academy of Sciences (India)

    –1 dry exchanger, respectively. The material ... been found to have better properties than the simple salts of metals. The selectivity may be enhanced ... capacity and higher stability at elevated temperature. This paper deals with the synthesis, ...

  7. Properties of the Carboxylate ion exchange resins

    International Nuclear Information System (INIS)

    Allard, Bert; Dario, Maarten; Boren, Hans; Torstenfelt, Boerje; Puigdomenech, Ignasi; Johansson, Claes

    2002-09-01

    Weakly acidic, carboxylic resin has been selected, together with strong base anion resins, for water purification at the Forsmark 1 and 2 reactors. For the strong (but not the weak) ion exchange resin the Nuclear Power Inspectorate has given permission to dispose the spent resins in the SFR 1 (the Final Repository for Radioactive Operational Waste). This report gives a review of the carboxylic resins and comes to the conclusion that the resins are very stable and that there should not exist any risks for increased leaching of radionuclides from SFR 1 if these resins are disposed (compared to the strong resins)

  8. Enhanced Physicochemical and Biological Properties of Ion-Implanted Titanium Using Electron Cyclotron Resonance Ion Sources

    Directory of Open Access Journals (Sweden)

    Csaba Hegedűs

    2016-01-01

    Full Text Available The surface properties of metallic implants play an important role in their clinical success. Improving upon the inherent shortcomings of Ti implants, such as poor bioactivity, is imperative for achieving clinical use. In this study, we have developed a Ti implant modified with Ca or dual Ca + Si ions on the surface using an electron cyclotron resonance ion source (ECRIS. The physicochemical and biological properties of ion-implanted Ti surfaces were analyzed using various analytical techniques, such as surface analyses, potentiodynamic polarization and cell culture. Experimental results indicated that a rough morphology was observed on the Ti substrate surface modified by ECRIS plasma ions. The in vitro electrochemical measurement results also indicated that the Ca + Si ion-implanted surface had a more beneficial and desired behavior than the pristine Ti substrate. Compared to the pristine Ti substrate, all ion-implanted samples had a lower hemolysis ratio. MG63 cells cultured on the high Ca and dual Ca + Si ion-implanted surfaces revealed significantly greater cell viability in comparison to the pristine Ti substrate. In conclusion, surface modification by electron cyclotron resonance Ca and Si ion sources could be an effective method for Ti implants.

  9. Selective Binding, Self-Assembly and Nanopatterning of the Creutz-Taube Ion on Surfaces

    OpenAIRE

    Wang, Yuliang; Lieberman, Marya; Hang, Qingling; Bernstein, Gary

    2009-01-01

    The surface attachment properties of the Creutz-Taube ion, i.e., [(NH3)5Ru(pyrazine)Ru(NH3)5]5+, on both hydrophilic and hydrophobic types of surfaces were investigated using X-ray photoelectron spectroscopy (XPS). The results indicated that the Creutz-Taube ions only bound to hydrophilic surfaces, such as SiO2 and –OH terminated organic SAMs on gold substrates. No attachment of the ions on hydrophobic surfaces such as –CH3 terminated organic SAMs and poly(methylmethacrylate) (PMMA) thin film...

  10. Electron binding energies of aqueous alkali and halide ions: EUV photoelectron spectroscopy of liquid solutions and combined ab initio and molecular dynamics calculations.

    Science.gov (United States)

    Winter, Bernd; Weber, Ramona; Hertel, Ingolf V; Faubel, Manfred; Jungwirth, Pavel; Brown, Eric C; Bradforth, Stephen E

    2005-05-18

    Photoelectron spectroscopy combined with the liquid microjet technique enables the direct probing of the electronic structure of aqueous solutions. We report measured and calculated lowest vertical electron binding energies of aqueous alkali cations and halide anions. In some cases, ejection from deeper electronic levels of the solute could be observed. Electron binding energies of a given aqueous ion are found to be independent of the counterion and the salt concentration. The experimental results are complemented by ab initio calculations, at the MP2 and CCSD(T) level, of the ionization energies of these prototype ions in the aqueous phase. The solvent effect was accounted for in the electronic structure calculations in two ways. An explicit inclusion of discrete water molecules using a set of snapshots from an equilibrium classical molecular dynamics simulations and a fractional charge representation of solvent molecules give good results for halide ions. The electron binding energies of alkali cations computed with this approach tend to be overestimated. On the other hand, the polarizable continuum model, which strictly provides adiabatic binding energies, performs well for the alkali cations but fails for the halides. Photon energies in the experiment were in the EUV region (typically 100 eV) for which the technique is probing the top layers of the liquid sample. Hence, the reported energies of aqueous ions are closely connected with both structures and chemical reactivity at the liquid interface, for example, in atmospheric aerosol particles, as well as fundamental bulk solvation properties.

  11. MtrA of the sodium ion pumping methyltransferase binds cobalamin in a unique mode.

    Science.gov (United States)

    Wagner, Tristan; Ermler, Ulrich; Shima, Seigo

    2016-06-21

    In the three domains of life, vitamin B12 (cobalamin) is primarily used in methyltransferase and isomerase reactions. The methyltransferase complex MtrA-H of methanogenic archaea has a key function in energy conservation by catalysing the methyl transfer from methyl-tetrahydromethanopterin to coenzyme M and its coupling with sodium-ion translocation. The cobalamin-binding subunit MtrA is not homologous to any known B12-binding proteins and is proposed as the motor of the sodium-ion pump. Here, we present crystal structures of the soluble domain of the membrane-associated MtrA from Methanocaldococcus jannaschii and the cytoplasmic MtrA homologue/cobalamin complex from Methanothermus fervidus. The MtrA fold corresponds to the Rossmann-type α/β fold, which is also found in many cobalamin-containing proteins. Surprisingly, the cobalamin-binding site of MtrA differed greatly from all the other cobalamin-binding sites. Nevertheless, the hydrogen-bond linkage at the lower axial-ligand site of cobalt was equivalently constructed to that found in other methyltransferases and mutases. A distinct polypeptide segment fixed through the hydrogen-bond linkage in the relaxed Co(III) state might be involved in propagating the energy released upon corrinoid demethylation to the sodium-translocation site by a conformational change.

  12. Properties and applications of ion-implanted alloys

    International Nuclear Information System (INIS)

    Myers, S.M.

    1979-01-01

    Ion implantation is a controlled and versatile means for near-surface alloying of metals. Supersaturated solutions, metastable compounds, amorphous phases, and equilibrium alloys have been produced. Uses include the investigation of new metastable phases, characterization of alloying reactions occurring in conventional materials, and improvement of surface properties such as hardness, wear, and corrosion. A brief review is given of the physical processes occurring during ion implantation, the types of alloys which result, and representative applications

  13. Enhanced AC conductivity and dielectric relaxation properties of polypyrrole nanoparticles irradiated with Ni12+ swift heavy ions

    International Nuclear Information System (INIS)

    Hazarika, J.; Kumar, A.

    2014-01-01

    In this paper, we report the 160 MeV Ni 12+ swift heavy ions (SHIs) irradiation effects on AC conductivity and dielectric relaxation properties of polypyrrole (PPy) nanoparticles in the frequency range of 42 Hz–5 MHz. Four ion fluences of 5 × 10 10 , 1 × 10 11 , 5 × 10 11 and 1 × 10 12 ions/cm 2 have been used for the irradiation purpose. Transport properties in the pristine and irradiated PPy nanoparticles have been investigated with permittivity and modulus formalisms to study the polarization effects and conductivity relaxation. With increasing ion fluence, the relaxation peak in imaginary modulus (M ″ ) plots shifts toward high frequency suggesting long range motion of the charge carriers. The AC conductivity studies suggest correlated barrier hopping as the dominant transport mechanism. The hopping distance (R ω ) of the charge carriers decreases with increasing the ion fluence. Binding energy (W m ) calculations depict that polarons are the dominant charge carriers

  14. Investigation of salt properties with electro-acoustic measurements and their effect on dynamic binding capacity in hydrophobic interaction chromatography.

    Science.gov (United States)

    Müller, Egbert; Faude, Alexander

    2008-01-11

    The pH dependence in hydrophobic interaction chromatography (HIC) is usually discussed exclusively in terms of protein dependence and there are no clear defined trends. Many of the deviations from an ideal solution are caused solely by the high salt concentration, as protein concentration is usually negligible. So pH dependency in hydrophobic interaction chromatography could also be the result of pH dependent changes of ion properties from the salt solution. The possibility that pH dependent ion hydration or ion association in highly concentrated salt solutions may influence the dynamic protein binding capacity onto HIC resins was investigated. In buffer solutions commonly used in HIC e.g. sodium chloride, ammonium sulphate and sodium citrate pH dependent maxima in the electro-acoustic signals were found. These maxima are related to an increase of the ion sizes by hydration or ion association. At low ionic strength the maxima are in the range between 4.5 and 6 and they increased in concentrated electrolyte solutions to values between 6 and 8. The range of these maxima is in the same region as dynamic protein binding capacity maxima often observed in HIC. For a qualitative interpretation of this phenomenon of increased protein stabilization by volume exclusion effect extended scaling theory can be used. This theory predicts a maximum of protein stabilization if the ratio of salt ion diameter to water is 1.8. According to the hypothesis raised here, if the pH dependent ratio of salt ion diameter to water approaches this value the transport of the protein in the pore system is less restricted and an increase in binding capacity can be produced.

  15. 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.

  16. Modification of electronic properties in insulators using ion microprobe

    International Nuclear Information System (INIS)

    Jaksic, M.; Karlusic, M.; Bogdanovic Radovic, I.; Pastuovic, Z.; Skukan, N.; Medunic, Z.

    2008-01-01

    Development of techniques that use focused ion beams of MeV energy range for creation of new structures in materials by modifying their properties has been initiated in order to expand application possibilities of ion accelerators at the Ruder Boskovic Institute. In particular we have focused on heavy ions that create significantly larger radiation damage in materials when compared to protons and He ions. Structuring of radiation damage using the ion microbeam in crystalline materials has been developed and tested on silicon and diamond. Application possibilities of created structures came from the fact that radiation damage can decrease charge collection properties in silicon which may be of interest in production of position sensitive sensors. This approach has been demonstrated by creating position dependent response of silicon pin diodes. In the case of diamond, excessive radiation damage can increase conductivity which may be of interest for production of diamond based devices. Buried conductive lines have been produced in single crystal diamond. Additional application that use ion tracks created in different materials by heavy ion beams from 6.0 MV Tandem accelerator has also been developed. Application was first tested on polymers and subsequently on other materials of technological interest (such as SrTiO 3 ). Cl and I ion beams of energies above 18 MeV have been used in this application. Implantation of lower energy ions such as carbon between 800 and 2000 keV has been performed also, using both broad and micro beam in order to form nanodiamonds in SiO 2 . (author)

  17. 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......-terminus. CueR has a high selectivity for Cu+, Ag+ and Au+, but exhibits no transcriptional activity for the divalent ions Hg2+ and Zn2+.2 The two Cys- residues of the metal binding loop were shown to settle M+ ions into a linear coordination environment but other factors may also play a role in the recognition...... 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....

  18. Characterization and antibacterial properties of porous fibers containing silver ions

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Zhaoyang; Fan, Chenxu; Tang, Xiaopeng; Zhao, Jianghui; Song, Yanhua; Shao, Zhongbiao [National Engineering Laboratory for Modern Silk, College of Textile and Engineering, Soochow University, 199 Ren-ai Road, Suzhou 215123 (China); Xu, Lan, E-mail: lanxu@suda.edu.cn [National Engineering Laboratory for Modern Silk, College of Textile and Engineering, Soochow University, 199 Ren-ai Road, Suzhou 215123 (China); Nantong Textile Institute of Soochow University, 58 Chong-chuan Road, Nantong 226018 (China)

    2016-11-30

    Highlights: • Antibacterial electrospun PLA porous fibers containing silver ions were prepared. • Porous structure and porosity of PLA/Ag{sup +} porous fibers were investigated. • The antibacterial effects of PLA/Ag{sup +} porous fibers were studied. • The released mechanism of silver ions in the porous fibers was illustrated. • The porous structure could improve the antibacterial properties. - Abstract: Materials prepared on the base of bioactive silver compounds have become more and more popular. In the present work, the surface morphology, structure and properties, of electrospun Polylactide Polylactic acid (PLA) porous fibers containing various ratios of silver ions were investigated by a combination of X-ray photoelectron spectroscopy (XPS), universal testing machine, thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and et al. The biological activities of the proposed porous fibers were discussed in view of the released silver ions concentration. Antibacterial properties of these porous fibers were studied using two bacterial strains: Escherichia coli (E. coli) and Methicillin-resistant Staphylococcus aureus (MRSA). Results of the antibacterial testing suggested that PLA porous fibers containing silver ions could be used as potent antibacterial wound dressing materials in the biomedical field.

  19. Characterization and antibacterial properties of porous fibers containing silver ions

    International Nuclear Information System (INIS)

    Sun, Zhaoyang; Fan, Chenxu; Tang, Xiaopeng; Zhao, Jianghui; Song, Yanhua; Shao, Zhongbiao; Xu, Lan

    2016-01-01

    Highlights: • Antibacterial electrospun PLA porous fibers containing silver ions were prepared. • Porous structure and porosity of PLA/Ag + porous fibers were investigated. • The antibacterial effects of PLA/Ag + porous fibers were studied. • The released mechanism of silver ions in the porous fibers was illustrated. • The porous structure could improve the antibacterial properties. - Abstract: Materials prepared on the base of bioactive silver compounds have become more and more popular. In the present work, the surface morphology, structure and properties, of electrospun Polylactide Polylactic acid (PLA) porous fibers containing various ratios of silver ions were investigated by a combination of X-ray photoelectron spectroscopy (XPS), universal testing machine, thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and et al. The biological activities of the proposed porous fibers were discussed in view of the released silver ions concentration. Antibacterial properties of these porous fibers were studied using two bacterial strains: Escherichia coli (E. coli) and Methicillin-resistant Staphylococcus aureus (MRSA). Results of the antibacterial testing suggested that PLA porous fibers containing silver ions could be used as potent antibacterial wound dressing materials in the biomedical field.

  20. Selective binding of oligonucleotide on TiO{sub 2} surfaces modified by swift heavy ion beam lithography

    Energy Technology Data Exchange (ETDEWEB)

    Vicente Pérez-Girón, J. [Nanoate, S.L. C/Poeta Rafael Morales 2, San Sebastian de los Reyes, 28702 Madrid (Spain); Emerging Viruses Department Heinrich Pette Institute, Hamburg 20251 (Germany); Hirtz, M. [Institute of Nanotechnology (INT) and Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology - KIT, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); McAtamney, C.; Bell, A.P. [Advanced Microscopy Laboratory, CRANN, Trinity College Dublin, Dublin 2 (Ireland); Antonio Mas, J. [Laboratorio de Genómica del Centro de Apoyo Tecnológico, Universidad Rey Juan Carlos, Campus de Alcorcón 28922, Madrid (Spain); Jaafar, M. [Nanoate, S.L. C/Poeta Rafael Morales 2, San Sebastian de los Reyes, 28702 Madrid (Spain); Departamento de Física de la Materia Condensada, Facultad de Ciencias, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid (Spain); Luis, O. de [Nanoate, S.L. C/Poeta Rafael Morales 2, San Sebastian de los Reyes, 28702 Madrid (Spain); Departamento de Bioquímica, Fisiología y Genética Molecular, Facultad de Ciencias de la Salud, Universidad Rey Juan Carlos, Campus de Alcorcón, 28922 Madrid (Spain); Fuchs, H. [Institute of Nanotechnology (INT) and Karlsruhe Nano Micro Facility (KNMF), Karlsruhe Institute of Technology - KIT, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Physical Institute and Center for Nanotechnology (CeNTech), Wilhelm-Klemm-Straße 10, University of Münster (Germany); and others

    2014-11-15

    We have used swift heavy-ion beam based lithography to create patterned bio-functional surfaces on rutile TiO{sub 2} single crystals. The applied lithography method generates a permanent and well defined periodic structure of micrometre sized square holes having nanostructured TiO{sub 2} surfaces, presenting different physical and chemical properties compared to the surrounding rutile single crystal surface. On the patterned substrates selective binding of oligonucleotides molecules is possible at the surfaces of the holes. This immobilisation process is only being controlled by UV light exposure. The patterned transparent substrates are compatible with fluorescence detection techniques, are mechanically robust, have a high tolerance to extreme chemical and temperature environments, and apparently do not degrade after ten cycles of use. These qualities make the patterned TiO{sub 2} substrates useful for potential biosensor applications.

  1. Properties of Transition Metal Atoms and Ions

    Energy Technology Data Exchange (ETDEWEB)

    Donald, Beck, R.

    2008-03-18

    Accomplishments of this project include: (1) improvement of the accuracy and efficiency of the RCI methodology to permit it to tackle almost all TM properties, and making good progress in extending these gains to the RE. Our improvements have stimulated improvements in the GRASP package, done by Froese Fischer. RCI efficiency gains are estimated to be {approx} 200x since the start of the project - about 10x from hardware improvements (originally DOE funded) and about 20x from software improvements. The net result is that currently the longest runs don't exceed 1 day. (2) identification and removal of systematic errors in several TM properties. To some extent, the PI became a 'court of last resort' for experimenters who wondered why certain theoretical-experimental discrepancies existed. Auxiliary analysis codes were written and successfully used to improve the systematic understanding of correlation effects in TM and RE. This improved efficiency and a priori understanding of what new projects might involve. [Unsurprisingly, there are several cases which the PI was unable to resolve. Work on these is unpublished]. (3) education and training of graduate students and postdocs.

  2. Mathematical Modeling of Avidity Distribution and Estimating General Binding Properties of Transcription Factors from Genome-Wide Binding Profiles.

    Science.gov (United States)

    Kuznetsov, Vladimir A

    2017-01-01

    The shape of the experimental frequency distributions (EFD) of diverse molecular interaction events quantifying genome-wide binding is often skewed to the rare but abundant quantities. Such distributions are systematically deviated from standard power-law functions proposed by scale-free network models suggesting that more explanatory and predictive probabilistic model(s) are needed. Identification of the mechanism-based data-driven statistical distributions that provide an estimation and prediction of binding properties of transcription factors from genome-wide binding profiles is the goal of this analytical survey. Here, we review and develop an analytical framework for modeling, analysis, and prediction of transcription factor (TF) DNA binding properties detected at the genome scale. We introduce a mixture probabilistic model of binding avidity function that includes nonspecific and specific binding events. A method for decomposition of specific and nonspecific TF-DNA binding events is proposed. We show that the Kolmogorov-Waring (KW) probability function (PF), modeling the steady state TF binding-dissociation stochastic process, fits well with the EFD for diverse TF-DNA binding datasets. Furthermore, this distribution predicts total number of TF-DNA binding sites (BSs), estimating specificity and sensitivity as well as other basic statistical features of DNA-TF binding when the experimental datasets are noise-rich and essentially incomplete. The KW distribution fits equally well to TF-DNA binding activity for different TFs including ERE, CREB, STAT1, Nanog, and Oct4. Our analysis reveals that the KW distribution and its generalized form provides the family of power-law-like distributions given in terms of hypergeometric series functions, including standard and generalized Pareto and Waring distributions, providing flexible and common skewed forms of the transcription factor binding site (TFBS) avidity distribution function. We suggest that the skewed binding

  3. 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.

  4. Modification of polyvinyl alcohol surface properties by ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Pukhova, I.V., E-mail: ivpuhova@mail.ru [National Research Tomsk State University, 36 Lenin Ave, Tomsk 634050 (Russian Federation); Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation); Kurzina, I.A. [National Research Tomsk State University, 36 Lenin Ave, Tomsk 634050 (Russian Federation); Savkin, K.P. [Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation); Laput, O.A. [National Research Tomsk Polytechnic University, 30 Lenin Ave, Tomsk 634050 (Russian Federation); Oks, E.M. [Institute of High Current Electronics, 2/3 Akademichesky Ave, Tomsk 634055 (Russian Federation)

    2017-05-15

    We describe our investigations of the surface physicochemical properties of polyvinyl alcohol modified by silver, argon and carbon ion implantation to doses of 1 × 10{sup 14}, 1 × 10{sup 15} and 1 × 10{sup 16} ion/cm{sup 2} and energies of 20 keV (for C and Ar) and 40 keV (for Ag). Infrared spectroscopy (IRS) indicates that destructive processes accompanied by chemical bond (−C=O) generation are induced by implantation, and X-ray photoelectron spectroscopy (XPS) analysis indicates that the implanted silver is in a metallic Ag3d state without stable chemical bond formation with polymer chains. Ion implantation is found to affect the surface energy: the polar component increases while the dispersion part decreases with increasing implantation dose. Surface roughness is greater after ion implantation and the hydrophobicity increases with increasing dose, for all ion species. We find that ion implantation of Ag, Ar and C leads to a reduction in the polymer microhardness by a factor of five, while the surface electrical resistivity declines modestly.

  5. Bilayer interfacial properties modulate the binding of amphipathic peptides.

    Science.gov (United States)

    Allende, Daniel; Vidal, Adriana; Simon, Sidney A; McIntosh, Thomas J

    2003-01-01

    The free energy of transfer (DeltaG degrees ) from water to lipid bilayers was measured for two amphipathic peptides, the presequence of the mitochondrial peptide rhodanese (MPR) and melittin. Experiments were designed to determine the effects on peptide partitioning of the addition of lipids that produce structural modifications to the bilayer/water interface. In particular, the addition of cholesterol or the cholesterol analog 6-ketocholestanol increases the bilayer area compressibility modulus, indicating that these molecules modify lipid-lipid interactions in the plane of the bilayer. The addition of 6-ketocholestanol or lipids with attached polyethylene glycol chains (PEG-lipids) modify the effective thickness of the interfacial region; 6-ketocholestanol increases the width of hydrophilic headgroup region in the direction of the acyl chains whereas the protruding PEG chains of PEG-lipids increase the structural width of the headgroup region into the surrounding aqueous phase. The incorporation of PEG-lipids with PEG molecular weights of 2000 or 5000 had no appreciable effect on peptide partitioning that could not be accounted for by the presence of surface charge. However, for both MPR and melittin DeltaG degrees decreased linearly with increasing bilayer compressibility modulus, demonstrating the importance of bilayer mechanical properties in the binding of amphipathic peptides.

  6. Electron impact phenomena and the properties of gaseous ions

    CERN Document Server

    Field, F H; Massey, H S W; Brueckner, Keith A

    1970-01-01

    Electron Impact Phenomena and the Properties of Gaseous Ions, Revised Edition deals with data pertaining to electron impact and to molecular gaseous ionic phenomena. This book discusses electron impact phenomena in gases at low pressure that involve low-energy electrons, which result in ion formation. The text also describes the use of mass spectrometers in electron impact studies and the degree of accuracy obtained when measuring electron impact energies. This book also reviews relatively low speed electrons and the transitions that result in the ionization of the atomic system. This text the

  7. Ion foreshock and magnetosheath properties in global hybrid simulations

    Science.gov (United States)

    Hercik, D.; Travnicek, P. M.; Schriver, D.; Hellinger, P.

    2010-12-01

    Properties of the interaction between the solar wind and magnetized small bodies is investigated using 3-D global hybrid simulations (Travnicek et al., 2009, 2010). We investigate the ion foreshock, formation and properties of the back-streaming proton population and the corresponding wave activity. We also investigate properties of the quasi-parallel shock and the adjacent magnetosheath. The properties of the quasi-parallel magnetosheath are compared with the properties of the quasi-perpendicular one. References Travnicek, P. M., P. Hellinger, D. Schriver, D. Hercik, J.A. Slavin, and B. J. Anderson (2009), Kinetic instabilities in Mercury's magnetosphere: three-dimensional simulatin results, Geophys. Res. Lett., 36, L07104,2009 Travnicek,P. M., D. Schriver, P. Hellinger, D. Hercik, B.J. Anderson, M Sarantos, and J.A. Slavin (2010), Mercury's magnetosphere-solar wind interaction for northward and southward interplanetary magnetic field: Hybrid simulation results, Icarus,209,11-22

  8. Sequential water molecule binding enthalpies for aqueous nanodrops containing a mono-, di- or trivalent ion and between 20 and 500 water molecules.

    Science.gov (United States)

    Heiles, Sven; Cooper, Richard J; DiTucci, Matthew J; Williams, Evan R

    2017-04-01

    Sequential water molecule binding enthalpies, Δ H n , n -1 , are important for a detailed understanding of competitive interactions between ions, water and solute molecules, and how these interactions affect physical properties of ion-containing nanodrops that are important in aerosol chemistry. Water molecule binding enthalpies have been measured for small clusters of many different ions, but these values for ion-containing nanodrops containing more than 20 water molecules are scarce. Here, Δ H n , n -1 values are deduced from high-precision ultraviolet photodissociation (UVPD) measurements as a function of ion identity, charge state and cluster size between 20-500 water molecules and for ions with +1, +2 and +3 charges. The Δ H n , n -1 values are obtained from the number of water molecules lost upon photoexcitation at a known wavelength, and modeling of the release of energy into the translational, rotational and vibrational motions of the products. The Δ H n , n -1 values range from 36.82 to 50.21 kJ mol -1 . For clusters containing more than ∼250 water molecules, the binding enthalpies are between the bulk heat of vaporization (44.8 kJ mol -1 ) and the sublimation enthalpy of bulk ice (51.0 kJ mol -1 ). These values depend on ion charge state for clusters with fewer than 150 water molecules, but there is a negligible dependence at larger size. There is a minimum in the Δ H n , n -1 values that depends on the cluster size and ion charge state, which can be attributed to the competing effects of ion solvation and surface energy. The experimental Δ H n , n -1 values can be fit to the Thomson liquid drop model (TLDM) using bulk ice parameters. By optimizing the surface tension and temperature change of the logarithmic partial pressure for the TLDM, the experimental sequential water molecule binding enthalpies can be fit with an accuracy of ±3.3 kJ mol -1 over the entire range of cluster sizes.

  9. Structures and metal-binding properties of Helicobacter pylori neutrophil-activating protein with a di-nuclear ferroxidase center.

    Science.gov (United States)

    Yokoyama, Hideshi; Fujii, Satoshi

    2014-06-26

    Helicobacter pylori causes severe diseases, such as chronic gastritis, peptic ulcers, and stomach cancers. H. pylori neutrophil-activating protein (HP-NAP) is an iron storage protein that forms a dodecameric shell, promotes the adhesion of neutrophils to endothelial cells, and induces the production of reactive oxygen radicals. HP-NAP belongs to the DNA-protecting proteins under starved conditions (Dps) family, which has significant structural similarities to the dodecameric ferritin family. The crystal structures of the apo form and metal-ion bound forms, such as iron, zinc, and cadmium, of HP-NAP have been determined. This review focused on the structures and metal-binding properties of HP-NAP. These metal ions bind at the di-nuclear ferroxidase center (FOC) by different coordinating patterns. In comparison with the apo structure, metal loading causes a series of conformational changes in conserved residues among HP-NAP and Dps proteins (Trp26, Asp52, and Glu56) at the FOC. HP-NAP forms a spherical dodecamer with 23 symmetry including two kinds of pores. Metal ions have been identified around one of the pores; therefore, the negatively-charged pore is suitable for the passage of metal ions.

  10. Ions interacting in solution: Moving from intrinsic to collective properties

    Energy Technology Data Exchange (ETDEWEB)

    Duignan, Timothy T.; Baer, Marcel D.; Mundy, Christopher J.

    2016-06-01

    A crucial determinant of Hofmeister effects is the direct interaction of ions in solution with the charged groups on the surface of larger particles. Understanding ion–ion interactions in solution is therefore a necessary first step to explaining Hofmeister effects. Here, we advocate an approach to modeling these types of properties where state of the art Ab Initio Molecular Dynamics (AIMD) simulation of ions in solution is used to establish benchmark values for the intrinsic properties of ions in solution such as solvation structures and ion–ion Potentials of Mean Force (PMFs). This information can then be combined with or used to parametrize and improve reduced models, which use approximations such as the continuum solvent model.(CSM) These reduced models can then be used to calculate collective and concentration dependent properties of electrolyte solution and so make accurate predictions about complex systems of relevance for direct applications. We provide an example of this approach using AIMD calculations of the sodium chloride dimer to calculate osmotic coefficients of all 20 alkali halide electrolytes. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TD and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS$^{3}$ (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy.

  11. Native Mass Spectrometry, Ion mobility, and Collision-Induced Unfolding Categorize Malaria Antigen/Antibody Binding

    Science.gov (United States)

    Huang, Yining; Salinas, Nichole D.; Chen, Edwin; Tolia, Niraj H.; Gross, Michael L.

    2017-09-01

    Plasmodium vivax Duffy Binding Protein (PvDBP) is a promising vaccine candidate for P. vivax malaria. Recently, we reported the epitopes on PvDBP region II (PvDBP-II) for three inhibitory monoclonal antibodies (2D10, 2H2, and 2C6). In this communication, we describe the combination of native mass spectrometry and ion mobility (IM) with collision induced unfolding (CIU) to study the conformation and stabilities of three malarial antigen-antibody complexes. These complexes, when collisionally activated, undergo conformational changes that depend on the location of the epitope. CIU patterns for PvDBP-II in complex with antibody 2D10 and 2H2 are highly similar, indicating comparable binding topology and stability. A different CIU fingerprint is observed for PvDBP-II/2C6, indicating that 2C6 binds to PvDBP-II on an epitope different from 2D10 and 2H2. This work supports the use of CIU as a means of classifying antigen-antibody complexes by their epitope maps in a high throughput screening workflow. [Figure not available: see fulltext.

  12. Modification of mechanical properties by ion-beam mixing

    Science.gov (United States)

    Hirvonen, J.-P.; Mayer, J. W.; Nastasi, M.; Stone, D.

    1987-05-01

    We have been investigating the application of ion-beam mixing of multilayer films on metal substrates to improve wear resistance and friction. With ion-beam mixed multilayers, the surface composition can be chosen independently of the substrate and adhesion can be obtained by a slight mixing at the multilayer/substrate interface. As a final state, the material has a modified surface which is an essential part of the substrate but tailored to provide the desired properties. As a result of ion-beam mixing, one can obtain a variety of microstructures ranging from amorphous to extended solid solutions to stable crystalline phases. Multilayer, Pd-Al, Fe-Ti, and Pd-Ti samples are prepared where each individual sublayer is a wedge so that as a result of ion beam mixing, a homogenous composition is formed throughout the thickness but the composition varies in the lateral direction from Ti-rich to Pd- or Fe-rich. The structure depends on composition. For example, in Fe-Ti a pure amorphous phase is obtained in a narrow composition range around FeTi and in Pd-Ti the microstructure is amorphous over a broad composition range. Wear and friction measurements of Fe-Ti layers on AISI 304 stainless steel show that both ion beam mixing and composition are important for improved tribology.

  13. Towards the role of metal ions in the structural variability of proteins: CdII speciation of a metal ion binding loop motif

    DEFF Research Database (Denmark)

    Jancsó, Attila; Szunyogh, Dániel; Gyurcsik, Béla

    2011-01-01

    A de novo designed dodecapeptide (HS), inspired by the metal binding loops of metal-responsive transcriptional activators, was synthesized. The aim was to create a model system for structurally promiscuous and intrinsically unstructured proteins, and explore the effect of metal ions on their stru...... the peptide is exchanging between a number of structures also in its metal ion bound state(s), as indicated by NMR and PAC data. © 2011 The Royal Society of Chemistry....

  14. Selective Binding and Precipitation of Cesium Ions from Aqueous Solutions: A Size-Driven Supramolecular Reaction.

    Science.gov (United States)

    Bengiat, Ravell; Bogoslavsky, Benny; Mandler, Daniel; Almog, Joseph

    2018-03-02

    The nuclear disasters of Chernobyl and Fukushima presented an urgent need for finding solutions to treatment of radioactive wastes. Among the by-products of nuclear fission is radioactive 137 Cs, which evokes an environmental hazard due to its long half-life (>30 years) and high solubility in water. In this work, a water-soluble organic ligand, readily obtained from alloxan and 1,3,5-benzenetriol, has been found to selectively bind and precipitate Cs + ions from aqueous solutions. The special rigid structure of the ligand, which consists of a "tripodal" carbonyl base above and below an aromatic plane, contributes to the size-driven selectivity towards the large Cs + ions and the formation of a giant, insoluble supramolecular complex. In addition to the low costs of the ligand, high yields and effectiveness in precipitating Cs + ions, the Cs-complex revealed a high endurance to continuous doses of γ-radiation, increasing its potential to act as a precipitating agent for 137 Cs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Mechanical and tribological properties of ion beam-processed surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kodali, Padma [Univ. of Maryland, College Park, MD (United States)

    1998-01-01

    The intent of this work was to broaden the applications of well-established surface modification techniques and to elucidate the various wear mechanisms that occur in sliding contact of ion-beam processed surfaces. The investigation included characterization and evaluation of coatings and modified surfaces synthesized by three surface engineering methods; namely, beam-line ion implantation, plasma-source ion implantation, and DC magnetron sputtering. Correlation among measured properties such as surface hardness, fracture toughness, and wear behavior was also examined. This dissertation focused on the following areas of research: (1) investigating the mechanical and tribological properties of mixed implantation of carbon and nitrogen into single crystal silicon by beam-line implantation; (2) characterizing the mechanical and tribological properties of diamond-like carbon (DLC) coatings processed by plasma source ion implantation; and (3) developing and evaluating metastable boron-carbon-nitrogen (BCN) compound coatings for mechanical and tribological properties. The surface hardness of a mixed carbon-nitrogen implant sample improved significantly compared to the unimplanted sample. However, the enhancement in the wear factor of this sample was found to be less significant than carbon-implanted samples. The presence of nitrogen might be responsible for the degraded wear behavior since nitrogen-implantation alone resulted in no improvement in the wear factor. DLC coatings have low friction, low wear factor, and high hardness. The fracture toughness of DLC coatings has been estimated for the first time. The wear mechanism in DLC coatings investigated with a ruby slider under a contact stress of 1 GPa was determined to be plastic deformation. The preliminary data on metastable BCN compound coatings indicated high friction, low wear factor, and high hardness.

  16. Mechanical and tribological properties of ion beam-processed surfaces

    International Nuclear Information System (INIS)

    Kodali, P.

    1998-01-01

    The intent of this work was to broaden the applications of well-established surface modification techniques and to elucidate the various wear mechanisms that occur in sliding contact of ion-beam processed surfaces. The investigation included characterization and evaluation of coatings and modified surfaces synthesized by three surface engineering methods; namely, beam-line ion implantation, plasma-source ion implantation, and DC magnetron sputtering. Correlation among measured properties such as surface hardness, fracture toughness, and wear behavior was also examined. This dissertation focused on the following areas of research: (1) investigating the mechanical and tribological properties of mixed implantation of carbon and nitrogen into single crystal silicon by beam-line implantation; (2) characterizing the mechanical and tribological properties of diamond-like carbon (DLC) coatings processed by plasma source ion implantation; and (3) developing and evaluating metastable boron-carbon-nitrogen (BCN) compound coatings for mechanical and tribological properties. The surface hardness of a mixed carbon-nitrogen implant sample improved significantly compared to the unimplanted sample. However, the enhancement in the wear factor of this sample was found to be less significant than carbon-implanted samples. The presence of nitrogen might be responsible for the degraded wear behavior since nitrogen-implantation alone resulted in no improvement in the wear factor. DLC coatings have low friction, low wear factor, and high hardness. The fracture toughness of DLC coatings has been estimated for the first time. The wear mechanism in DLC coatings investigated with a ruby slider under a contact stress of 1 GPa was determined to be plastic deformation. The preliminary data on metastable BCN compound coatings indicated high friction, low wear factor, and high hardness

  17. Binding Properties of General Odorant Binding Proteins from the Oriental Fruit Moth, Grapholita molesta (Busck (Lepidoptera: Tortricidae.

    Directory of Open Access Journals (Sweden)

    Guangwei Li

    Full Text Available The oriental fruit moth Grapholita molesta is a host-switching pest species. The adults highly depend on olfactory cues in locating optimal host plants and oviposition sites. Odorant binding proteins (OBPs are thought to be responsible for recognizing and transporting hydrophobic odorants across the aqueous sensillum lymph to stimulate the odorant receptors (ORs within the antennal sensilla and activate the olfactory signal transduction pathway. Exploring the physiological function of these OBPs could facilitate understanding insect chemical communications.Two antennae-specific general OBPs (GOBPs of G. molesta were expressed and purified in vitro. The binding affinities of G. molesta GOBP1 and 2 (GmolGOBP1 and 2 for sex pheromone components and host plant volatiles were measured by fluorescence ligand-binding assays. The distribution of GmolGOBP1 and 2 in the antennal sensillum were defined by whole mount fluorescence immunohistochemistry (WM-FIHC experiments. The binding sites of GmolGOBP2 were predicted using homology modeling, molecular docking and site-directed mutagenesis. Both GmolGOBP1 and 2 are housing in sensilla basiconica and with no differences in male and female antennae. Recombinant GmolGOBP1 (rGmolGOBP1 exhibited broad binding properties towards host plant volatiles and sex pheromone components; rGmolGOBP2 could not effectively bind host plant volatiles but showed specific binding affinity with a minor sex pheromone component dodecanol. We chose GmolGOBP2 and dodecanol for further homology modeling, molecular docking, and site-directed mutagenesis. Binding affinities of mutants demonstrated that Thr9 was the key binding site and confirmed dodecanol bonding to protein involves a hydrogen bond. Combined with the pH effect on binding affinities of rGmolGOBP2, ligand binding and release of GmolGOBP2 were related to a pH-dependent conformational transition.Two rGmolGOBPs exhibit different binding characteristics for tested ligands. r

  18. Binding Properties of General Odorant Binding Proteins from the Oriental Fruit Moth, Grapholita molesta (Busck) (Lepidoptera: Tortricidae).

    Science.gov (United States)

    Li, Guangwei; Chen, Xiulin; Li, Boliao; Zhang, Guohui; Li, Yiping; Wu, Junxiang

    2016-01-01

    The oriental fruit moth Grapholita molesta is a host-switching pest species. The adults highly depend on olfactory cues in locating optimal host plants and oviposition sites. Odorant binding proteins (OBPs) are thought to be responsible for recognizing and transporting hydrophobic odorants across the aqueous sensillum lymph to stimulate the odorant receptors (ORs) within the antennal sensilla and activate the olfactory signal transduction pathway. Exploring the physiological function of these OBPs could facilitate understanding insect chemical communications. Two antennae-specific general OBPs (GOBPs) of G. molesta were expressed and purified in vitro. The binding affinities of G. molesta GOBP1 and 2 (GmolGOBP1 and 2) for sex pheromone components and host plant volatiles were measured by fluorescence ligand-binding assays. The distribution of GmolGOBP1 and 2 in the antennal sensillum were defined by whole mount fluorescence immunohistochemistry (WM-FIHC) experiments. The binding sites of GmolGOBP2 were predicted using homology modeling, molecular docking and site-directed mutagenesis. Both GmolGOBP1 and 2 are housing in sensilla basiconica and with no differences in male and female antennae. Recombinant GmolGOBP1 (rGmolGOBP1) exhibited broad binding properties towards host plant volatiles and sex pheromone components; rGmolGOBP2 could not effectively bind host plant volatiles but showed specific binding affinity with a minor sex pheromone component dodecanol. We chose GmolGOBP2 and dodecanol for further homology modeling, molecular docking, and site-directed mutagenesis. Binding affinities of mutants demonstrated that Thr9 was the key binding site and confirmed dodecanol bonding to protein involves a hydrogen bond. Combined with the pH effect on binding affinities of rGmolGOBP2, ligand binding and release of GmolGOBP2 were related to a pH-dependent conformational transition. Two rGmolGOBPs exhibit different binding characteristics for tested ligands. rGmolGOBP1 has

  19. Binding Properties of General Odorant Binding Proteins from the Oriental Fruit Moth, Grapholita molesta (Busck) (Lepidoptera: Tortricidae)

    Science.gov (United States)

    Li, Guangwei; Chen, Xiulin; Li, Boliao; Zhang, Guohui; Li, Yiping; Wu, Junxiang

    2016-01-01

    Background The oriental fruit moth Grapholita molesta is a host-switching pest species. The adults highly depend on olfactory cues in locating optimal host plants and oviposition sites. Odorant binding proteins (OBPs) are thought to be responsible for recognizing and transporting hydrophobic odorants across the aqueous sensillum lymph to stimulate the odorant receptors (ORs) within the antennal sensilla and activate the olfactory signal transduction pathway. Exploring the physiological function of these OBPs could facilitate understanding insect chemical communications. Methodology/Principal Finding Two antennae-specific general OBPs (GOBPs) of G. molesta were expressed and purified in vitro. The binding affinities of G. molesta GOBP1 and 2 (GmolGOBP1 and 2) for sex pheromone components and host plant volatiles were measured by fluorescence ligand-binding assays. The distribution of GmolGOBP1 and 2 in the antennal sensillum were defined by whole mount fluorescence immunohistochemistry (WM-FIHC) experiments. The binding sites of GmolGOBP2 were predicted using homology modeling, molecular docking and site-directed mutagenesis. Both GmolGOBP1 and 2 are housing in sensilla basiconica and with no differences in male and female antennae. Recombinant GmolGOBP1 (rGmolGOBP1) exhibited broad binding properties towards host plant volatiles and sex pheromone components; rGmolGOBP2 could not effectively bind host plant volatiles but showed specific binding affinity with a minor sex pheromone component dodecanol. We chose GmolGOBP2 and dodecanol for further homology modeling, molecular docking, and site-directed mutagenesis. Binding affinities of mutants demonstrated that Thr9 was the key binding site and confirmed dodecanol bonding to protein involves a hydrogen bond. Combined with the pH effect on binding affinities of rGmolGOBP2, ligand binding and release of GmolGOBP2 were related to a pH-dependent conformational transition. Conclusion Two rGmolGOBPs exhibit different

  20. Binding properties of halogenated biphenyls to cells and macromolecules

    International Nuclear Information System (INIS)

    Pepe, M.G.

    1982-01-01

    The interaction of polychlorinated biphenyls (PCB) with serum proteins may help explain the cellular incorporation of PCB as the effect of PCB on thyroid hormone function. PCB reduces serum thyroxine and triiodothyronine levels in rats; the mechanism for this effect is unknown. The initial distribution of PCB from blood to tissue is rapid and depends on blood perfusion and tissue affinity; however, the translocation of unmetabolized PCB from its initial storage sites to adipose tissue may depend on serum and cellular protein interactions. Therefore, the ability of PCB to displace triiodothyronine binding to albumin and antibodies, as well as the effect of binding to serum proteins as a mechanism for cellular incorporation was measured. PCB binding to albumin showed both high and low affinity binding sites. This binding was able to prevent triiodothyronine binding to albumin. The distribution of PCB inserum showed that lipoproteins contained 94% of the total 14 C PCB added, while 5% of the 14 C PCB was bound to albumin. The in vitro binding of 14 C PCB to serum obtained from rats pretreated with PCB in their diets for 6 months showed a significant decrease (p 14 C PCB was higher (p < 0.05) in liver, adrenal and adipose cells than pituitary and thyroid cells

  1. 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.

  2. 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.

  3. Effects of metal ions on stability and activity of hyperthermophilic pyrolysin and further stabilization of this enzyme by modification of a Ca2+-binding site.

    Science.gov (United States)

    Zeng, Jing; Gao, Xiaowei; Dai, Zheng; Tang, Bing; Tang, Xiao-Feng

    2014-05-01

    Pyrolysin is an extracellular subtilase produced by the marine hyperthermophilic archaeon Pyrococcus furiosus. This enzyme functions at high temperatures in seawater, but little is known about the effects of metal ions on the properties of pyrolysin. Here, we report that the supplementation of Na(+), Ca(2+), or Mg(2+) salts at concentrations similar to those in seawater destabilizes recombinant pyrolysin but leads to an increase in enzyme activity. The destabilizing effect of metal ions on pyrolysin appears to be related to the disturbance of surface electrostatic interactions of the enzyme. In addition, mutational analysis of two predicted high-affinity Ca(2+)-binding sites (Ca1 and Ca2) revealed that the binding of Ca(2+) is important for the stabilization of this enzyme. Interestingly, Asn substitutions at residues Asp818 and Asp820 of the Ca2 site, which is located in the C-terminal extension of pyrolysin, resulted in improvements in both enzyme thermostability and activity without affecting Ca(2+)-binding affinity. These effects were most likely due to the elimination of unfavorable electrostatic repulsion at the Ca2 site. Together, these results suggest that metal ions play important roles in modulating the stability and activity of pyrolysin.

  4. Effects of Metal Ions on Stability and Activity of Hyperthermophilic Pyrolysin and Further Stabilization of This Enzyme by Modification of a Ca2+-Binding Site

    Science.gov (United States)

    Zeng, Jing; Gao, Xiaowei; Dai, Zheng; Tang, Bing

    2014-01-01

    Pyrolysin is an extracellular subtilase produced by the marine hyperthermophilic archaeon Pyrococcus furiosus. This enzyme functions at high temperatures in seawater, but little is known about the effects of metal ions on the properties of pyrolysin. Here, we report that the supplementation of Na+, Ca2+, or Mg2+ salts at concentrations similar to those in seawater destabilizes recombinant pyrolysin but leads to an increase in enzyme activity. The destabilizing effect of metal ions on pyrolysin appears to be related to the disturbance of surface electrostatic interactions of the enzyme. In addition, mutational analysis of two predicted high-affinity Ca2+-binding sites (Ca1 and Ca2) revealed that the binding of Ca2+ is important for the stabilization of this enzyme. Interestingly, Asn substitutions at residues Asp818 and Asp820 of the Ca2 site, which is located in the C-terminal extension of pyrolysin, resulted in improvements in both enzyme thermostability and activity without affecting Ca2+-binding affinity. These effects were most likely due to the elimination of unfavorable electrostatic repulsion at the Ca2 site. Together, these results suggest that metal ions play important roles in modulating the stability and activity of pyrolysin. PMID:24561589

  5. Computer simulations of ionenes, hydrophobic ions with unusual solution thermodynamic properties. The ion-specific effects.

    Science.gov (United States)

    Druchok, M; Vlachy, V; Dill, K A

    2009-10-29

    Ionenes are alkyl polymer chains in which different numbers of methylene groups separate quaternary ammonium groups. They are ideal molecules for studying the balance between hydrophobic and charge effects in water. Implicit-solvent models predict osmotic coefficients that are too high (too low water vapor pressures), compared to experiments. We present a molecular dynamics simulation, in explicit SPC/E water, of a solution of aliphatic 6,6 ionene oligocations with sodium co-ions and fluorine, chlorine, bromine, or iodine counterions. In the 6,6 ionene solution, the latter polyion has more hydrophobic groups than its 3,3 counterpart, the waters are displaced more from the oligoion surface. Also, we find that the large ions, such as iodine, act like hydrophobic groups insofar as they bind to ionene's methylene groups. The water-mediated attraction between fluorine ions is enhanced in presence of weakly charged 6,6 ionene molecules. This effect may additionally reduce the osmotic pressure in such systems. Our results can explain some experimental trends in ionene solutions and weakly charged polyelectrolytes in general.

  6. Distinct effect of xenobiotics on the metal-binding properties of protein molecules.

    Science.gov (United States)

    Novikova, Natalia; Kovalchuk, Mikhail; Stepina, Nina; Gaynutdinov, Radmir; Chukhrai, Elena; Yurieva, Eleonora

    2015-07-01

    The X-ray standing-wave method was applied to study the elemental composition and molecular organization of ordered protein films of alkaline phosphatase exposed to different xenobiotics (drug compounds, lead). Binding of metal ions from triply distilled water to protein molecules has been experimentally observed. Definite differences in the arrangement of impurity metal ions in the films have been established. The considerable enhancement of protein-metal interactions is attributed to partial rearrangement of the protein native structure, induced by xenobiotics.

  7. Properties of exotic matter for heavy-ion searches

    International Nuclear Information System (INIS)

    Schaffner-Bielich, J.; Greiner, C.; Stoecker, H.; Vischer, A.P.

    1997-01-01

    We examine the properties of both forms of strange matter, small lumps of strange quark matter (strangelets) and of strange hadronic matter (metastable exotic multihypernuclear objects (MEMOs)) and their relevance for present and future heavy-ion searches. The strong and weak decays are discussed separately to distinguish between long- and short-lived candidates where the former ones are detectable in present heavy-ion experiments while the latter ones are present in future heavy-ion experiments, respectively. We find some long-lived strangelet candidates which are highly negatively charged with a mass-to-charge ratio like a anti deuteron (M/Z approx.= -2) but masses of A 10-16. We also predict many short-lived candidates, both in quark and hadronic form, which can be highly charged. Purely hyperonic nuclei such as the Ξα (2Ξ 0 2Ξ - ) are bound and have a negative charge while carrying a positive baryon number. We also demonstrate that multiply charmed exotics (charmlets) might be bound and can be produced at future heavy-ion colliders. (author)

  8. Binding of antioxidant flavonol morin to the native state of bovine serum albumin: Effects of urea and metal ions on the binding

    Energy Technology Data Exchange (ETDEWEB)

    Singha Roy, Atanu; Dinda, Amit Kumar; Chaudhury, Susmitnarayan; Dasgupta, Swagata, E-mail: swagata@chem.iitkgp.ernet.in

    2014-01-15

    In consideration of the various medicinal aspects of the flavonoid polyphenols, the interaction of morin with bovine serum albumin (BSA) has been investigated using multi-spectroscopic approaches. The pKa{sub 1} of morin being 5.09, which is below physiological pH, binding studies provide important insights into its potential use as a biotherapeutic. The binding was performed under different pH (5, 7 and 9) conditions and in absence and presence of Cu(II) and Fe(III) ions. It is observed that the presence of metal ions affect the binding of morin towards BSA. The binding with BSA results in a motional restriction of morin in solution that causes an increase in anisotropy (r), rotational correlation time (t{sub r}) and steady-state lifetime (t{sub av}) of the ligand. Urea causes denaturation of BSA resulting in the release of morin from the protein core as determined from both the steady-state fluorescence and anisotropy (r) measurements. The possibility of non-radiative energy transfer from the donor tryptophan to the acceptor morin is detected following the Förster's theory. The site marker displacement studies along with the molecular docking results indicated that morin binds to the hydrophobic pocket of site 1 (subdomain IIA) near Trp 213 of BSA. -- Highlights: • Binding mainly occurs through the electrostatic forces with partial hydrophobic association. • Negative ΔG° indicates the spontaneity of the complexation between morin and BSA. • Morin binds near Trp 213 (site 1, subdomain IIA) of BSA only in its native state. • Lifetime of morin increases as a function of BSA. • Motional restriction of morin occurs in the presence of BSA.

  9. Effect of Cd ions on transport properties of orthomanganites

    CERN Document Server

    Troyanchuk, I O; Pastushonok, S N

    1998-01-01

    Magnetic and magnetotransport measurements have been used to study the compositional dependence of the electronic properties of the solid solutions La sub 0 sub . sub 7 (Pb sub 0 sub . sub 3 sub - sub x Cd sub x)MnO sub 3 and Nd sub 0 sub . sub 7 (Pb sub 0 sub . sub 3 sub - sub x Cd sub x)MnO sub 3. It was found that these compounds are ferromagnets and have the rhombohedrally or orthorhombically distorted perovskite structure. The substitution of Pb ions by Cd leads to the transition from the metallic to the insulating state. The intermediate compositions exhibit two peaks of the resistivity and magnetoresistance. The high-temperature peak is associated with the Curie temperature whereas there is no magnetic anomaly in the temperature interval of the second peak. We suppose that Cd ions participate in the formation of the narrow impurity band limiting the mobility of charge carriers. (author)

  10. Nucleic acid binding and other biomedical properties of artificial oligolysines

    Directory of Open Access Journals (Sweden)

    Roviello GN

    2016-11-01

    Full Text Available Giovanni N Roviello,1 Caterina Vicidomini,1 Vincenzo Costanzo,1 Valentina Roviello2 1CNR Istituto di Biostrutture e Bioimmagini, Via Mezzocannone site and Headquarters, 2Centro Regionale di Competenza (CRdC Tecnologie, Via Nuova Agnano, Napoli, Italy Abstract: In the present study, we report the interaction of an artificial oligolysine (referred to as AOL realized in our laboratory with targets of biomedical importance. These included polyinosinic acid (poly rI and its complex with polycytidylic acid (poly I:C, RNAs with well-known interferon-inducing ability, and double-stranded (ds DNA. The ability of the peptide to bind both single-stranded poly rI and ds poly I:C RNAs emerged from our circular dichroism (CD and ultraviolet (UV studies. In addition, we found that AOL forms complexes with dsDNA, as shown by spectroscopic binding assays and UV thermal denaturation experiments. These findings are encouraging for the possible use of AOL in biomedicine for nucleic acid targeting and oligonucleotide condensation, with the latter being a key step preceding their clinical application. Moreover, we tested the ability of AOL to bind to proteins, using serum albumin as a model protein. We demonstrated the oligolysine–protein binding by CD experiments which suggested that AOL, positively charged under physiological conditions, binds to the protein regions rich in anionic residues. Finally, the morphology characterization of the solid oligolysine, performed by scanning electron microscopy, showed different crystal forms including cubic-shaped crystals confirming the high purity of AOL. Keywords: nucleic acid binding, polyinosinic acid, double-stranded nucleic acids, oligolysine, circular dichroism

  11. Potential New Ligand Systems for Binding Uranyl Ions in Seawater Environments

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, John [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2014-12-13

    Work began this quarter on a new project involving a combined computational and biosynthetic approach to selective recognition of uranyl ion in aqueous solution. This project exploits the results of computational studies to discover new ligand classes. Synthetic studies will follow to generate target systems for uranyl binding and determination of binding constants. The process will be iterative, with results from computation informing synthesis, and vice versa. The theme of the ligand classes to be examined initially will be biologically based. New phosphonate-containing α-amino acid N-carboxyanhydride (NCA) monomers were used recently to prepare well-defined phosphonate-containing poly-peptides and block copolypeptides. Our first approach is to utilize these phosphate- and phosphonate-containing NCAs for the coordination of uranyl. The work includes the laboratory-scale preparation of a series of NCAs and the full thermodynamic and spectroscopic characterization of the resulting uranyl complexes. We are also evaluating the sequestering activity in different physiological and environmental conditions of these copolymers as well as their biodegradability.

  12. The binding of in vitro synthesized adenovirus DNA binding protein to single-stranded DNA is stimulated by zinc ions

    NARCIS (Netherlands)

    Vos, H.L.; Lee, F.M. van der; Sussenbach, J.S.

    1988-01-01

    We have synthesized wild type DNA binding protein (DBP) of adenovirus type 5 (Ad5) and several truncated forms of this protein by a combination of in vitro transcription and translation. The proteins obtained were tested for binding to a single-stranded DNA-cellulose column. It could be shown that

  13. Reconstruction of negative hydrogen ion beam properties from beamline diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Ruf, Benjamin

    2014-09-25

    For the experimental fusion reactor ITER, which should show the feasibility of sustaining a fusion plasma with a positive power balance, some technology still has to be developed, amongst others also the plasma heating system. One heating technique is the neutral beam injection (NBI). A beam of fast deuterium atoms is injected into the fusion plasma. By heavy particle collisions the beam particles give their energy to the plasma. A NBI system consists of three major components. First, deuterium ions are generated in a low temperature, low pressure plasma of an ion source. At ITER, the requirements on the beam energy of 1 MeV cause the necessity of negative charged deuterium ions. Secondly, the ions are accelerated within an acceleration system with several grids, where the plasma grid is the first grid. The grids are on different descending high voltage potentials. The source itself is on the highest negative potential. Thirdly, the fast deuterium ions have to be neutralised. This thesis deals with the second step in the mentioned beam system, the ion acceleration and beam formation. The underlying experiments and measurements were carried out at the testbeds BATMAN (BAvarianTest MAchine for Negative ions) and ELISE (Extraction from a Large Ion Source Experiment) at the Max-Planck-Institut fuer Plasmaphysik Garching (IPP Garching). The main goal of this thesis is to provide a tool which allows the determination of the beam properties. These are beam divergence, stripping losses and beam inhomogeneity. For this purpose a particle trajectory code has been developed from scratch, namely BBC-NI (Bavarian Beam Code for Negative Ions). The code is able to simulate the whole beam and the outcome of several beam diagnostic tools. The data obtained from the code together with the measurements of the beam diagnostic tools should allow the reconstruction of the beam properties. The major beam diagnostic tool, which is used in this thesis, is the beam emission spectroscopy

  14. Analysis of the ligand binding properties of recombinant bovine liver-type fatty acid binding protein

    DEFF Research Database (Denmark)

    Rolf, B; Oudenampsen-Krüger, E; Börchers, T

    1995-01-01

    The coding part of the cDNA for bovine liver-type fatty acid binding protein (L-FABP) has been amplified by RT-PCR, cloned and used for the construction of an Escherichia coli (E. coli) expression system. The recombinant protein made up to 25% of the soluble E. coli proteins and could be isolated...

  15. Magnetic properties of Pr ions in perovskite-type oxides

    International Nuclear Information System (INIS)

    Sekizawa, K.; Kitagawa, M.; Takano, Y.

    1998-01-01

    Magnetic properties of Pr ions with the controlled valence on the A and B sites of perovskite-type oxides (ABO 3 ) were investigated for two systems. PrSc 1-x Mg x O 3 and BaPr 1-x Bi x O 3 . From the magnetic susceptibility χ versus temperature T curves of PrSc 1-x Mg x O 3 , the χ-T curve for molar Pr 3+ ions on the A site and that of Pr 4+ ions were obtained. The 1/χ-T curves for both ions exhibit the crystalline electric field (CEF) effect and the effective magneticmoment μ eff above 100 K is 3.41 μ B for Pr 3- and 2.58 μ B for Pr 4+ , respectively. The χ-T curve of PrSc 0.8 Mg 0.2 O 3 is similar to that of PrBa 2 Cu 3 O y . In the BaPr 1-x Bi x O 3 system, only one intermediate phase BaPr 0.5 Bi 0.5 O 3 exists, in which Pr and Bi take an ordered arrangement on the B site. The magnetic susceptibility χ for Pr 4+ and that of Pr 3+ in the ordered arrangement with Bi 5- on the B site are much smaller than those for the A site, reflecting the strong CEF effect on the B site. Experimental χ-T curves can be well reproducedby the numerical calculation for Pr 3+ or Pr 4+ ions in the molecular field and the CEF with proper respective parameters. (orig.)

  16. 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.

  17. Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein-DNA Complex.

    Science.gov (United States)

    Sinha, Kaustubh; Sangani, Sahil S; Kehr, Andrew D; Rule, Gordon S; Jen-Jacobson, Linda

    2016-11-08

    Metal ion cofactors can alter the energetics and specificity of sequence specific protein-DNA interactions, but it is unknown if the underlying effects on structure and dynamics are local or dispersed throughout the protein-DNA complex. This work uses EcoRV endonuclease as a model, and catalytically inactive lanthanide ions, which replace the Mg 2+ cofactor. Nuclear magnetic resonance (NMR) titrations indicate that four Lu 3+ or two La 3+ cations bind, and two new crystal structures confirm that Lu 3+ binding is confined to the active sites. NMR spectra show that the metal-free EcoRV complex with cognate (GATATC) DNA is structurally distinct from the nonspecific complex, and that metal ion binding sites are not assembled in the nonspecific complex. NMR chemical shift perturbations were determined for 1 H- 15 N amide resonances, for 1 H- 13 C Ile-δ-CH 3 resonances, and for stereospecifically assigned Leu-δ-CH 3 and Val-γ-CH 3 resonances. Many chemical shifts throughout the cognate complex are unperturbed, so metal binding does not induce major conformational changes. However, some large perturbations of amide and side chain methyl resonances occur as far as 34 Å from the metal ions. Concerted changes in specific residues imply that local effects of metal binding are propagated via a β-sheet and an α-helix. Both amide and methyl resonance perturbations indicate changes in the interface between subunits of the EcoRV homodimer. Bound metal ions also affect amide hydrogen exchange rates for distant residues, including a distant subdomain that contacts DNA phosphates and promotes DNA bending, showing that metal ions in the active sites, which relieve electrostatic repulsion between protein and DNA, cause changes in slow dynamics throughout the complex.

  18. Metal Ion Binding at the Catalytic Site Induces Widely Distributed Changes in a Sequence Specific Protein–DNA Complex

    Science.gov (United States)

    2016-01-01

    Metal ion cofactors can alter the energetics and specificity of sequence specific protein–DNA interactions, but it is unknown if the underlying effects on structure and dynamics are local or dispersed throughout the protein–DNA complex. This work uses EcoRV endonuclease as a model, and catalytically inactive lanthanide ions, which replace the Mg2+ cofactor. Nuclear magnetic resonance (NMR) titrations indicate that four Lu3+ or two La3+ cations bind, and two new crystal structures confirm that Lu3+ binding is confined to the active sites. NMR spectra show that the metal-free EcoRV complex with cognate (GATATC) DNA is structurally distinct from the nonspecific complex, and that metal ion binding sites are not assembled in the nonspecific complex. NMR chemical shift perturbations were determined for 1H–15N amide resonances, for 1H–13C Ile-δ-CH3 resonances, and for stereospecifically assigned Leu-δ-CH3 and Val-γ-CH3 resonances. Many chemical shifts throughout the cognate complex are unperturbed, so metal binding does not induce major conformational changes. However, some large perturbations of amide and side chain methyl resonances occur as far as 34 Å from the metal ions. Concerted changes in specific residues imply that local effects of metal binding are propagated via a β-sheet and an α-helix. Both amide and methyl resonance perturbations indicate changes in the interface between subunits of the EcoRV homodimer. Bound metal ions also affect amide hydrogen exchange rates for distant residues, including a distant subdomain that contacts DNA phosphates and promotes DNA bending, showing that metal ions in the active sites, which relieve electrostatic repulsion between protein and DNA, cause changes in slow dynamics throughout the complex. PMID:27786446

  19. Elucidating the structures and cooperative binding mechanism of cesium salts to the multitopic ion-pair receptor through density functional theory calculations.

    Science.gov (United States)

    Sadhu, Biswajit; Sundararajan, Mahesh; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam

    2015-09-21

    Designing new and innovative receptors for the selective binding of radionuclides is central to nuclear waste management processes. Recently, a new multi-topic ion-pair receptor was reported which binds a variety of cesium salts. Due to the large size of the receptor, quantum chemical calculations on the full ion-pair receptors are restricted, thus the binding mechanisms are not well understood at the molecular level. We have assessed the binding strengths of various cesium salts to the recently synthesized multi-topic ion-pair receptor molecule using density functional theory based calculations. Our calculations predict that the binding of cesium salts to the receptor predominantly occurs via the cooperative binding mechanism. Cesium and the anion synergistically assist each other to bind favorably inside the receptor. Energy decomposition analysis on the ion-pair complexes shows that the Cs salts are bound to the receptor mainly through electrostatic interactions with small contribution from covalent interactions for large ionic radius anions. Further, QTAIM analysis characterizes the importance of different inter-molecular interactions between the ions and the receptor inside the ion-pair complexes. The role of the crystallographic solvent molecule contributes significantly by ~10 kcal mol(-1) to the overall binding affinities which is quite significant. Further, unlike the recent molecular mechanics (MM) calculations, our calculated binding affinity trends for various Cs ion-pair complexes (CsF, CsCl and CsNO3) are now in excellent agreement with the experimental binding affinity trends.

  20. Core-modified octaphyrins: Syntheses and anion-binding properties

    Indian Academy of Sciences (India)

    Unknown

    proton of the inverted ring of selenophene from the biselenophene unit forms a secondary interaction. (non-electrostatic) with oxygen of the TFA. Apart from the oxygen, the fluorine of the triflate anion also forms secondary interaction with the proton of the methyl group of the mesityl ring. Tetraoxaoctaphyrin 9 also binds two ...

  1. Auxilliary Dry Binding Properties of Some Hydrogenated Vegetable ...

    African Journals Online (AJOL)

    The ability of some hydrogenated vegetable oils to act as dry binder in direct compression tablet formulations was investigated using an instrumented rotary tablet press. The effect of these widely used tablet lubricants was compared to Avicel® PH 102, a standard, dry binding excipient in direct compression tablet ...

  2. Properties of the ion-ion hybrid resonator in fusion plasmas

    International Nuclear Information System (INIS)

    Morales, George J.

    2015-01-01

    The project developed theoretical and numerical descriptions of the properties of ion-ion hybrid Alfvn resonators that are expected to arise in the operation of a fusion reactor. The methodology and theoretical concepts were successfully compared to observations made in basic experiments in the LAPD device at UCLA. An assessment was made of the excitation of resonator modes by energetic alpha particles for burning plasma conditions expected in the ITER device. The broader impacts included the generation of basic insight useful to magnetic fusion and space science researchers, defining new avenues for exploration in basic laboratory experiments, establishing broader contacts between experimentalists and theoreticians, completion of a Ph.D. dissertation, and promotion of interest in science through community outreach events and classroom instruction.

  3. Oxygen binding properties of non-mammalian nerve globins

    DEFF Research Database (Denmark)

    Hundahl, Christian; Fago, Angela; Dewilde, Sylvia

    2006-01-01

    Oxygen-binding globins occur in the nervous systems of both invertebrates and vertebrates. While the function of invertebrate nerve haemoglobins as oxygen stores that extend neural excitability under hypoxia has been convincingly demonstrated, the physiological role of vertebrate neuroglobins...... is less well understood. Here we provide a detailed analysis of the oxygenation characteristics of nerve haemoglobins from an annelid (Aphrodite aculeata), a nemertean (Cerebratulus lacteus) and a bivalve (Spisula solidissima) and of neuroglobin from zebrafish (Danio rerio). The functional differences...... temperatures investigated and exhibited large enthalpies of oxygenation, the hexacoordinate globins showed reverse Bohr effects (at least at low temperature) and approximately twofold lower oxygenation enthalpies. Only S. solidissima nerve haemoglobin showed apparent cooperativity in oxygen binding, suggesting...

  4. Fluorescence properties of porcine odorant binding protein Trp 16 residue

    Energy Technology Data Exchange (ETDEWEB)

    Albani, Jihad Rene, E-mail: Jihad-Rene.Albani@univ-lille1.f [Laboratoire de Biophysique Moleculaire, Universite des Sciences et Technologies de Lille, F-59655 Villeneuve d' Ascq Cedex (France)

    2010-11-15

    Summary: The present work deals with fluorescence studies of adult porcine odorant binding protein at pH=7.5. At this pH, the protein is a dimer, each monomer contains one tryptophan residue. Our results show that tryptophan residue displays significant motions and emits with three fluorescence lifetimes. Decay associated spectra showed that the three lifetime's components emanate from sub-structures surrounded by the same microenvironment.

  5. Relation between heat of vaporization, ion transport, molar volume, and cation-anion binding energy for ionic liquids.

    Science.gov (United States)

    Borodin, Oleg

    2009-09-10

    A number of correlations between heat of vaporization (H(vap)), cation-anion binding energy (E(+/-)), molar volume (V(m)), self-diffusion coefficient (D), and ionic conductivity for 29 ionic liquids have been investigated using molecular dynamics (MD) simulations that employed accurate and validated many-body polarizable force fields. A significant correlation between D and H(vap) has been found, while the best correlation was found for -log(DV(m)) vs H(vap) + 0.28E(+/-). A combination of enthalpy of vaporization and a fraction of the cation-anion binding energy was suggested as a measure of the effective cohesive energy for ionic liquids. A deviation of some ILs from the reported master curve is explained based upon ion packing and proposed diffusion pathways. No general correlations were found between the ion diffusion coefficient and molecular volume or the diffusion coefficient and cation/anion binding energy.

  6. Proton and aluminum binding properties of organic acids in surface waters of the northeastern U.S.

    Science.gov (United States)

    Fakhraei, Habibollah; Driscoll, Charles T

    2015-03-03

    A variety of mathematical estimators have been used to quantify the degree of protonation of naturally occurring organic acids. These estimators range from monoprotic, diprotic, and triprotic analog models to the discrete and continuous (Gaussian) distributions of a single proton binding-dissociation. Natural water samples from two long-term monitoring programs in the northeastern U.S. were used to quantify proton- and aluminum-binding properties of naturally occurring organic matter. Water chemistry observations were clustered into 0.05 pH intervals (over 3.75-7.35 pH range) and fit to a triprotic analog model. The model optimization indicates that about 5% of dissolved organic carbon participates in ion binding, and organic acids are composed of both strong and weak acids (i.e., pKa1 = 2.54, pKa2 = 6.19, and pKa3 = 7.52 for Adirondack samples). Binding between organic acids and aluminum can substantially influence the acid behavior of dissolved organic matter and the availability of the toxic form of aluminum (i.e., inorganic monomeric aluminum).

  7. Yttrium ion implantation on the surface properties of magnesium

    International Nuclear Information System (INIS)

    Wang, X.M.; Zeng, X.Q.; Wu, G.S.; Yao, S.S.

    2006-01-01

    Owing to their excellent physical and mechanical properties, magnesium and its alloys are receiving more attention. However, their application has been limited to the high reactivity and the poor corrosion resistance. The aim of the study was to investigate the beneficial effects of ion-implanted yttrium using a MEVVA ion implanter on the surface properties of pure magnesium. Isothermal oxidation tests in pure O 2 at 673 and 773 K up to 90 min indicated that the oxidation resistance of magnesium had been significantly improved. Surface morphology of the oxide scale was analyzed using scanning electron microscope (SEM). Auger electron spectroscopy (AES) and X-ray diffraction (XRD) analyses indicated that the implanted layer was mainly composed of MgO and Y 2 O 3 , and the implanted layer with a duplex structure could decrease the inward diffusion of oxygen and reduce the outward diffusion of Mg 2+ , which led to improving the oxidation resistance of magnesium. Potentiodynamic polarization curves were used to evaluate the corrosion resistance of the implanted magnesium. The results show yttrium implantation could enhance the corrosion resistance of implanted magnesium compared with that of pure magnesium

  8. Synthesis and metal binding properties of salicylate-, catecholate-, and hydroxypyridinonate-functionalized dendrimers.

    Science.gov (United States)

    Cohen, S M; Petoud, S; Raymond, K N

    2001-01-05

    The synthesis, characterization, and metal-binding studies of chelate-functionalized dendrimers is reported. Salicylate, catecholate, and hydroxypyridinonate bidentate chelators have been coupled to the surface of both poly(propyleneimine) (Astramol) and poly(amidoamine) (Starburst, PAMAM) dendrimers up to the fifth generation (64 endgroups). A general method has been developed for the facile and high quality chromatographic purification of poly(propyleneimine) and poly(amidoamine) dendrimer derivatives. One- and two-dimensional (TOCSY) 1H NMR experiments and electrospray ionization mass spectrometry (ESI-MS) have confirmed the exhaustive coupling of these chelators to the primary amine functionalities of the dendrimers. Spectrophotometric titrations were used to investigate the metal binding ability of these macrochelates. Spectral analysis shows that ferric iron binding to these ligands is localized to the chelating endgroups. The ability of these dendritic polymers to bind large numbers of metal ions may lead to applications as metal sequestering agents for waste remediation technologies.

  9. 160 MeV Ni12+ ion irradiation effects on the dielectric properties of polyaniline nanotubes

    International Nuclear Information System (INIS)

    Hazarika, J.; Nath, Chandrani; Kumar, A.

    2012-01-01

    We report on the dielectric properties and a.c. conductivity studies of CSA doped polyaniline nanotubes. Nanotubes of 47–100 nm diameter, were synthesized by the self-assembly method and irradiated using Ni 12+ ions of 160 MeV energy with fluences of 1 × 10 10 , 5 × 10 10 , 1 × 10 11 and 3 × 10 11 ions/cm 2 . X-ray diffraction studies reveal an increase in the degree of crystallinity and consequently, the extent of order of the nanotubes with increasing fluence, but show a lower degree of crystallinity at higher fluence. The decrease in d-spacing for the (100) reflections with fluence is ascribed to the decrease in the tilt angle of the aligned polymer chains. A significant change was seen after irradiation in dielectric and electrical properties which may be correlated with the increased carrier concentration and structural modifications in the polymer films. The surface conductivity of films increases with increasing fluence, which also decreases at higher fluence. The a.c. conduction mechanism for the nanotubes could be explained in terms of correlated barrier hopping model. The existence of polarons as the major charge carriers in the present nanotube system was confirmed by the low values of polaron binding energy, found to decrease with fluence. The hopping distance increases with fluence indicating that the hopping probability increases with fluence.

  10. DNA binding properties of the small cascade subunit Csa5.

    Directory of Open Access Journals (Sweden)

    Michael Daume

    Full Text Available CRISPR-Cas systems provide immunity against viral attacks in archaeal and bacterial cells. Type I systems employ a Cas protein complex termed Cascade, which utilizes small CRISPR RNAs to detect and degrade the exogenic DNA. A small sequence motif, the PAM, marks the foreign substrates. Previously, a recombinant type I-A Cascade complex from the archaeon Thermoproteus tenax was shown to target and degrade DNA in vitro, dependent on a native PAM sequence. Here, we present the biochemical analysis of the small subunit, Csa5, of this Cascade complex. T. tenax Csa5 preferentially bound ssDNA and mutants that showed decreased ssDNA-binding and reduced Cascade-mediated DNA cleavage were identified. Csa5 oligomerization prevented DNA binding. Specific recognition of the PAM sequence was not observed. Phylogenetic analyses identified Csa5 as a universal member of type I-A systems and revealed three distinct groups. A potential role of Csa5 in R-loop stabilization is discussed.

  11. Quantifying metal ions binding onto dissolved organic matter using log-transformed absorbance spectra.

    Science.gov (United States)

    Yan, Mingquan; Wang, Dongsheng; Korshin, Gregory V; Benedetti, Marc F

    2013-05-01

    This study introduces the concept of consistent examination of changes of log-transformed absorbance spectra of dissolved organic matter (DOM) at incrementally increasing concentrations of heavy metal cations such as copper, cadmium, and aluminum at environmentally relevant concentrations. The approach is designed to highlight contributions of low-intensity absorbance features that appear to be especially sensitive to DOM reactions. In accord with this approach, log-transformed absorbance spectra of fractions of DOM from the Suwannee River were acquired at varying pHs and concentrations of copper, cadmium, and aluminum. These log-transformed spectra were processed using the differential approach and used to examine the nature of the observed changes of DOM absorbance and correlate them with the extent of Me-DOM complexation. Two alternative parameters, namely the change of the spectral slope in the range of wavelengths 325-375 nm (DSlope325-375) and differential logarithm of DOM absorbance at 350 nm (DLnA350) were introduced to quantify Cu(II), Cd(II), and Al(III) binding onto DOMs. DLnA350 and DSlope325-375 datasets were compared with the amount of DOM-bound Cu(II), Cd(II), and Al(III) estimated based on NICA-Donnan model calculations. This examination showed that the DLnA350 and DSlope325-375 acquired at various pH values, metal ions concentrations, and DOM types were strongly and unambiguously correlated with the concentration of DOM-bound metal ions. The obtained experimental results and their interpretation indicate that the introduced DSlope325-375 and DLnA35 parameters are predictive of and can be used to quantify in situ metal ions interactions with DOMs. The presented approach can be used to gain more information about DOM-metal interactions and for further optimization of existing formal models of metal-DOM complexation. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Binding properties and immunolocalization of a fatty acid-binding protein in Giardia lamblia.

    Science.gov (United States)

    Hassan, S M T; Maache, M; de la Guardia, R Díaz; Córdova, O M; García, J R Gil; Galiana, M; Acuña Castroviejo, D; Martins, M; Osuna, Antonio

    2005-04-01

    We describe here a fatty acid-binding protein (FABP) isolated and purified from the parasitic protozoon Giardia lamblia. The protein has a molecular mass of 8 kDa and an isoelectric point of 4.96. A Scatchard analysis of the data at equilibrium revealed a dissociation constant of 3.12 x 10(-8) M when the labeled oleic acid was displaced by a 10-fold greater concentration of unlabeled oleic acid. Testosterone, sodium desoxycholate, taurocholate, metronidazol, and alpha-tocopherol, together with butyric, arachidonic, palmitic, retinoic, and glycocholic acids, were also bound to the protein. Assays with polyclonal antibodies revealed that the protein is located in the ventral disk and also appears in the dorsal membrane, the cytoplasm, and in the vicinity of the lipid vacuoles.

  13. Iron-binding properties of sugar cane yeast peptides.

    Science.gov (United States)

    de la Hoz, Lucia; Ponezi, Alexandre N; Milani, Raquel F; Nunes da Silva, Vera S; Sonia de Souza, A; Bertoldo-Pacheco, Maria Teresa

    2014-01-01

    The extract of sugar-cane yeast (Saccharomyces cerevisiae) was enzymatically hydrolysed by Alcalase, Protex or Viscozyme. Hydrolysates were fractionated using a membrane ultrafiltration system and peptides smaller than 5kDa were evaluated for iron chelating ability through measurements of iron solubility, binding capacity and dialyzability. Iron-chelating peptides were isolated using immobilized metal affinity chromatography (IMAC). They showed higher content of His, Lys, and Arg than the original hydrolysates. In spite of poor iron solubility, hydrolysates of Viscozyme provided higher iron dialyzability than those of other enzymes. This means that more chelates of iron or complexes were formed and these kept the iron stable during simulated gastro-intestinal digestion in vitro, improving its dialyzability. Published by Elsevier Ltd.

  14. Synthesis and anion binding properties of porphyrins and related compounds

    KAUST Repository

    Figueira, Flávio

    2016-12-02

    Over the last two decades the preparation of pyrrole-based receptors for anion recognition has attracted considerable attention. In this regard porphyrins, phthalocyanines and expanded porphyrins have been used as strong and selective receptors while the combination of those with different techniques and materials can boost their applicability in different applications as chemosensors and extracting systems. Improvements in the field, including the synthesis of this kind of compounds, can contribute to the development of efficient, cheap, and easy-to-prepare anion receptors. Extensive efforts have been made to improve the affinity and selectivity of these compounds and the continuous expansion of related research makes this chemistry even more promising. In this review, we summarize the most recent developments in anion binding studies while outlining the strategies that may be used to synthesize and functionalize these type of macrocycles. © 2016 World Scientific Publishing Company.

  15. Modification of magnetic properties of polyethyleneterephthalate by iron ion implantation

    International Nuclear Information System (INIS)

    Lukashevich, M.G.; Batlle, X.; Labarta, A.; Popok, V.N.; Zhikharev, V.A.; Khaibullin, R.I.; Odzhaev, V.B.

    2007-01-01

    Fe + ions (40 keV) were implanted into polyethyleneterephthalate (PET) films with fluences of (0.25-1.5) x 10 17 cm -2 . Magnetic properties of the synthesised Fe:PET composites were studied using superconducting quantum interference device (SQUID) technique in temperature range of 2-300 K. For range of fluences (0.5-0.75) x 10 17 cm -2 the samples reveal superparamagnetic behaviour at room temperature. At fluences above 0.75 x 10 17 cm -2 the strong increase of magnetisation and transition to ferromagnetic properties are registered. Analysis of the magnetic hysteresis loops suggests an easy plane magnetic anisotropy similar to that found for thin magnetic films. Zero-field-cooled (ZFC) and field-cooled (FC) temperature measurements of magnetisation are found to be in agreement with earlier observed formation of Fe nanoparticles (NPs) in the implanted layers. The growth and agglomeration of the NPs forming the quasi-continuous labyrinth-like structure in the polymer film at the highest implantation fluence of 1.5 x 10 17 cm -2 is an origin for the transition to the ferromagnetic properties

  16. The interaction of human serum albumin with selected lanthanide and actinide ions: Binding affinities, protein unfolding and conformational changes.

    Science.gov (United States)

    Ali, Manjoor; Kumar, Amit; Kumar, Mukesh; Pandey, Badri N

    2016-04-01

    Human serum albumin (HSA), the most abundant soluble protein in blood plays critical roles in transportation of biomolecules and maintenance of osmotic pressure. In view of increasing applications of lanthanides- and actinides-based materials in nuclear energy, space, industries and medical applications, the risk of exposure with these metal ions is a growing concern for human health. In present study, binding interaction of actinides/lanthanides [thorium: Th(IV), uranium: U(VI), lanthanum: La(III), cerium: Ce(III) and (IV)] with HSA and its structural consequences have been investigated. Ultraviolet-visible, Fourier transform-infrared, Raman, Fluorescence and Circular dichroism spectroscopic techniques were applied to study the site of metal ions interaction, binding affinity determination and the effect of metal ions on protein unfolding and HSA conformation. Results showed that these metal ions interacted with carbonyl (CO..:)/amide(N..-H) groups and induced exposure of aromatic residues of HSA. The fluorescence analysis indicated that the actinide binding altered the microenvironment around Trp214 in the subdomain IIA. Binding affinity of U(VI) to HSA was slightly higher than that of Th(IV). Actinides and Ce(IV) altered the secondary conformation of HSA with a significant decrease of α-helix and an increase of β-sheet, turn and random coil structures, indicating a partial unfolding of HSA. A correlation was observed between metal ion's ability to alter HSA conformation and protein unfolding. Both cationic effects and coordination ability of metal ions seemed to determine the consequences of their interaction with HSA. Present study improves our understanding about the protein interaction of these heavy ions and their impact on its secondary structure. In addition, binding characteristics may have important implications for the development of rational antidote for the medical management of health effects of actinides and lanthanides. Copyright © 2016 Elsevier

  17. Influence of nanoparticle-ion and nanoparticle-polymer interactions on ion transport and viscoelastic properties of polymer electrolytes

    International Nuclear Information System (INIS)

    Mogurampelly, Santosh; Sethuraman, Vaidyanathan; Pryamitsyn, Victor; Ganesan, Venkat

    2016-01-01

    We use atomistic simulations to probe the ion conductivities and mechanical properties of polyethylene oxide electrolytes containing Al 2 O 3 nanoparticles. We specifically study the influence of repulsive polymer-nanoparticle and ion-nanoparticle interactions and compare the results with those reported for electrolytes containing the polymorph β-Al 2 O 3 nanoparticles. We observe that incorporating repulsive nanoparticle interactions generally results in increased ionic mobilities and decreased elastic moduli for the electrolyte. Our results indicate that both ion transport and mechanical properties are influenced by the polymer segmental dynamics in the interfacial zones of the nanoparticle in the ion-doped systems. Such effects were seen to be determined by an interplay between the nanoparticle-polymer, nanoparticle-ion, and ion-polymer interactions. In addition, such interactions were also observed to influence the number of dissociated ions and the resulting conductivities. Within the perspective of the influence of nanoparticles on the polymer relaxation times in ion-doped systems, our results in the context of viscoelastic properties were consistent with the ionic mobilities. Overall, our results serve to highlight some issues that confront the efforts to use nanoparticle dispersions to simultaneously enhance the conductivity and the mechanical strength of polymer electrolyte.

  18. Ion exchange resins for water purification : properties and characterisation

    International Nuclear Information System (INIS)

    Gokhale, A.S.; Mathur, P.K.; Venkateswarlu, K.S.

    1987-01-01

    The report is divided into three sections. The first section contains a general introduction to ion exchange resins used in various processes, the second section describes characteristic properties of the polymer materials and the inter relation between them. This will, in turn, be useful to interpret the data obtained from the various tests carried out on the resins in the laboratory. In the third section of the report, are given the details of each method used for a particular test to be carried out on a routine basis. Each method describes the principle involved, the reagents and apparatus used in the experiment, the actual procedure and calculations and recording of the data. 3 refs. (author)

  19. Acid-base characterization, coordination properties towards copper(II) ions and DNA interaction studies of ribavirin, an antiviral drug.

    Science.gov (United States)

    Nagaj, Justyna; Starosta, Radosław; Jeżowska-Bojczuk, Małgorzata

    2015-01-01

    We have studied processes of copper(II) ion binding by ribavirin, an antiviral agent used in treating hepatitis C, which is accompanied usually by an increased copper level in the serum and liver tissue. Protonation equilibria and Cu(II) binding were investigated using the UV-visible, EPR and NMR spectroscopic techniques as well as the DFT (density functional theory) calculations. The spectroscopic data suggest that the first complex is formed in the water solution at pH as low as 0.5. In this compound Cu(II) ion is bound to one of the nitrogen atoms from the triazole ring. Above pH6.0, the metal ion is surrounded by two nitrogen and two oxygen atoms from two ligand molecules. The DFT calculations allowed to determine the exact structure of this complex. We found that in the lowest energy isomer two molecules of the ligand coordinate via O and N4 atoms in trans positions. The hypothetical oxidative properties of the investigated system were also examined. It proved not to generate plasmid DNA scission products. However, the calf thymus (CT)-DNA binding studies showed that it reacts with ribavirin and its cupric complex. Moreover, the interaction with the complex is much more efficient. Copyright © 2014 Elsevier Inc. All rights reserved.

  20. Enhanced AC conductivity and dielectric relaxation properties of polypyrrole nanoparticles irradiated with Ni{sup 12+} swift heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Hazarika, J.; Kumar, A., E-mail: ask@tezu.ernet.in

    2014-08-15

    In this paper, we report the 160 MeV Ni{sup 12+} swift heavy ions (SHIs) irradiation effects on AC conductivity and dielectric relaxation properties of polypyrrole (PPy) nanoparticles in the frequency range of 42 Hz–5 MHz. Four ion fluences of 5 × 10{sup 10}, 1 × 10{sup 11}, 5 × 10{sup 11} and 1 × 10{sup 12} ions/cm{sup 2} have been used for the irradiation purpose. Transport properties in the pristine and irradiated PPy nanoparticles have been investigated with permittivity and modulus formalisms to study the polarization effects and conductivity relaxation. With increasing ion fluence, the relaxation peak in imaginary modulus (M{sup ″}) plots shifts toward high frequency suggesting long range motion of the charge carriers. The AC conductivity studies suggest correlated barrier hopping as the dominant transport mechanism. The hopping distance (R{sub ω}) of the charge carriers decreases with increasing the ion fluence. Binding energy (W{sub m}) calculations depict that polarons are the dominant charge carriers.

  1. ION SERIES AND THE PHYSICAL PROPERTIES OF PROTEINS. II.

    Science.gov (United States)

    Loeb, J

    1920-11-20

    1. Our results show clearly that the Hofmeister series is not the correct expression of the relative effect of ions on the swelling of gelatin, and that it is not true that chlorides, bromides, and nitrates have "hydrating," and acetates, tartrates, citrates, and phosphates "dehydrating," effects. If the pH of the gelatin is taken into considertion, it is found that for the same pH the effect on swelling is the same for gelatin chloride, nitrate, trichloracetate, tartrate, succinate, oxalate, citrate, and phosphate, while the swelling is considerably less for gelatin sulfate. This is exactly what we should expect on the basis of the combining ratios of the corresponding acids with gelatin since the weak dibasic and tribasic acids combine with gelatin in molecular proportions while the strong dibasic acid H(2)SO(4) combines with gelatin in equivalent proportions. In the case of the weak dibasic acids he anion in combination with gelatin is therefore monovalent and in the case of the strong H(2)SO(4) it is bivalent. Hence it is only the valency and not the nature of the ion in combination with gelatin which affects the degree of swelling. 2. This is corroborated in the experiments with alkalies which show that LiOH, NaOH, KOH, and NH(4)OH cause the same degree of swelling at the same pH of the gelatin solution and that this swelling is considerably higher than that caused by Ca(OH)(2) and Ba(OH)(2) for the same pH. This agrees with the results of the titration experiments which prove that Ca(OH)(2) and Ba(OH)(2) combine with gelatin in equivalent proportions and that hence the cation in combination with the gelatin salt with these two latter bases is bivalent. 3. The fact that proteins combine with acids and alkalies on the basis of the forces of primary valency is therefore not only in full agreement with the influence of ions on the physical properties of proteins but allows us to predict this influence qualitatively and quantitatively. 4. What has been stated in

  2. Targeted regulation of hygroscopicity of soybean antioxidant pentapeptide powder by zinc ions binding to the moisture absorption sites.

    Science.gov (United States)

    Xue, Peiyu; Sun, Na; Li, Yong; Cheng, Sheng; Lin, Songyi

    2018-03-01

    In the present study, a targeted regulation of hygroscopicity of soybean antioxidant pentapeptide (SAP) powder was explored by zinc ions binding to its moisture absorption sites. Scanning electron microscopy, X-ray diffraction analysis, Fourier transform infrared spectroscopy and an energy-dispersive X-ray spectroscope were used to confirm the formation of the SAP-zinc complex. The results showed that morphology of SAP-zinc complex belonged to crystalline nanoparticles. The moisture sorption/desorption kinetics of the SAP-zinc complex changed compared to that of the SAP. In particular, the moisture sorption capacity of the SAP decreased and the distribution of adsorbed water changed after zinc chelation. Based on the binding of zinc ions to the moisture absorption sites, the hygroscopicity of SAP powder could be target regulated. Thus, this study could provide a new method to regulate the hygroscopicity of peptide powder. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Temperature dependent dielectric properties and ion transportation in solid polymer electrolyte for lithium ion batteries

    Science.gov (United States)

    Sengwa, R. J.; Dhatarwal, Priyanka; Choudhary, Shobhna

    2016-05-01

    Solid polymer electrolyte (SPE) film consisted of poly(ethylene oxide) (PEO) and poly(methyl methacrylate) (PMMA) blend matrix with lithium tetrafluroborate (LiBF4) as dopant ionic salt and poly(ethylene glycol) (PEG) as plasticizer has been prepared by solution casting method followed by melt pressing. Dielectric properties and ionic conductivity of the SPE film at different temperatures have been determined by dielectric relaxation spectroscopy. It has been observed that the dc ionic conductivity of the SPE film increases with increase of temperature and also the decrease of relaxation time. The temperature dependent relaxation time and ionic conductivity values of the electrolyte are governed by the Arrhenius relation. Correlation observed between dc conductivity and relaxation time confirms that ion transportation occurs with polymer chain segmental dynamics through hopping mechanism. The room temperature ionic conductivity is found to be 4 × 10-6 S cm-1 which suggests the suitability of the SPE film for rechargeable lithium batteries.

  4. VASP: a volumetric analysis of surface properties yields insights into protein-ligand binding specificity.

    Directory of Open Access Journals (Sweden)

    Brian Y Chen

    2010-08-01

    Full Text Available Many algorithms that compare protein structures can reveal similarities that suggest related biological functions, even at great evolutionary distances. Proteins with related function often exhibit differences in binding specificity, but few algorithms identify structural variations that effect specificity. To address this problem, we describe the Volumetric Analysis of Surface Properties (VASP, a novel volumetric analysis tool for the comparison of binding sites in aligned protein structures. VASP uses solid volumes to represent protein shape and the shape of surface cavities, clefts and tunnels that are defined with other methods. Our approach, inspired by techniques from constructive solid geometry, enables the isolation of volumetrically conserved and variable regions within three dimensionally superposed volumes. We applied VASP to compute a comparative volumetric analysis of the ligand binding sites formed by members of the steroidogenic acute regulatory protein (StAR-related lipid transfer (START domains and the serine proteases. Within both families, VASP isolated individual amino acids that create structural differences between ligand binding cavities that are known to influence differences in binding specificity. Also, VASP isolated cavity subregions that differ between ligand binding cavities which are essential for differences in binding specificity. As such, VASP should prove a valuable tool in the study of protein-ligand binding specificity.

  5. 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.

  6. Expression and divalent cation binding properties of the novel chemotactic inflammatory protein psoriasin

    DEFF Research Database (Denmark)

    Vorum, H; Madsen, Peder; Rasmussen, H H

    1996-01-01

    Psoriasin is a novel chemotactic inflammatory protein that possesses weak similarity to the S100 family members of Ca(2+)-binding proteins, and that is highly up-regulated in hyperproliferative psoriatic keratinocytes. Here we have used the psoriasin cDNA to express recombinant human (rh) psoriasin...... in Escherichia coli as a fusion protein containing a hexa His tag and a factor Xa cleavage site in the NH2-terminus. The protein was purified by affinity chromatography on Ni(2+)-nitrilotriacetic acid agarose, digested with factor Xa, further purified by ion-exchange chromatography and characterized by two......-dimensional (2-D) gel electrophoresis and NH2-terminal sequencing. The ability of rh psoriasin to bind Ca2+, Zn2+, and Mg2+ was determined by dialysis experiments. We found that rh psoriasin may bind at least seven molecules of Ca2+ in KCl and several molecules in NaCl, with an affinity for the first bound...

  7. Fundamental properties of secondary negative ion emission by sputtering

    International Nuclear Information System (INIS)

    Shimizu, Toshiki; Tsuji, Hiroshi; Ishikawa, Junzo

    1989-01-01

    The report describes some results obtained from preliminary experiments on secondary negative ion emission from a cesiated surface by Xe-ion beam sputtering, which give the production probability. A measuring system is constructed for secondary negative ion emission. The system consists of a microwave ion source with a lens, a sputtering target holder with a heater, a cesium oven, a limiting aperture with a substrate for deposition, a negative-ion extractor and lens, and a ExB type mass separator. Observations are made on the dependence of negative ion current on cesium supply, dependence of negative ion current on target temperature, and negative ion production probability. The cesium supply and the target temperature are found to strongly influence the negative ion emission. By controlling these factors, the optimum condition for secondary negative ion emission is achieved with a minimum surface work function. The production probability of the negative ion is found to be very high, about 20% for carbon. Therefore, the secondary negative ion emission is considered a useful and highly efficient method to obtain high current ion beams. The constant in the Rasser's theoretical equation is experimentally determined to be 4.1 x 10 -4 eV sec/m. (N.K.)

  8. Tuning of the electronic structure and magnetic properties of xenon ion implanted zinc oxide

    Science.gov (United States)

    Ghosh, B.; Ray, Sekhar C.; Pattanaik, Shreenu; Sarma, Sweety; Mishra, Dilip K.; Pontsho, Mbule; Pong, W. F.

    2018-03-01

    A correlation between the electronic structure and magnetic properties of ZnO single crystals (ZnO SCs) and 300 keV xenon ion (Xe3+) implanted ZnO SCs has been studied using x-ray absorption near edge structure (XANES) spectroscopy, valence band photoemission spectroscopy (VB-PES), x-ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and a superconducting quantum interference device-type magnetometer. The XANES studies revealed that the number of unoccupied p-states in the implanted ZnO SCs is higher than in the pristine ZnO SCs. In the implanted ZnO SCs, the binding energy of the Zn 2p 3/2 core level peak shifted to higher energy which further confirmed the increase in the valence band maximum (VBM) energy level. The VBM of the xenon ion (Xe3+) implanted ZnO SCs increased from 3.17–3.49 eV, obtained from UPS (He-I) measurements. A VB-PES study revealed that the number of electrons in the valence band of the O 2p–Zn 4sp hybridized states of the implanted ZnO SCs is higher than in the pristine ZnO SCs. The magnetic M–H loops demonstrated enhanced room temperature ferromagnetism in the Xe implanted ZnO SCs, attributable to the increasing number of surface defects and native defect sites in oxygen vacancies and zinc interstitials.

  9. SISGR: Linking Ion Solvation and Lithium Battery Electrolyte Properties

    Energy Technology Data Exchange (ETDEWEB)

    Trulove, Paul C. [U.S. Naval Academy, Annapolis, MD (United States); Foley, Matthew P. [U.S. Naval Academy, Annapolis, MD (United States)

    2012-09-30

    The solvation and phase behavior of the model battery electrolyte salt lithium trifluoromethanesulfonate (LiCF3SO3) in commonly used organic solvents; ethylene carbonate (EC), gamma-butyrolactone (GBL), and propylene carbonate (PC) was explored. Data from differential scanning calorimetry (DSC), Raman spectroscopy, and X-ray diffraction were correlated to provide insight into the solvation states present within a sample mixture. Data from DSC analyses allowed the construction of phase diagrams for each solvent system. Raman spectroscopy enabled the determination of specific solvation states present within a solvent-salt mixture, and X-ray diffraction data provided exact information concerning the structure of a solvates that could be isolated Thermal analysis of the various solvent-salt mixtures revealed the phase behavior of the model electrolytes was strongly dependent on solvent symmetry. The point groups of the solvents were (in order from high to low symmetry): C2V for EC, CS for GBL, and C1 for PC(R). The low symmetry solvents exhibited a crystallinity gap that increased as solvent symmetry decreased; no gap was observed for EC-LiTf, while a crystallinity gap was observed spanning 0.15 to 0.3 mole fraction for GBL-LiTf, and 0.1 to 0.33 mole fraction for PC(R)-LiTf mixtures. Raman analysis demonstrated the dominance of aggregated species in almost all solvent compositions. The AGG and CIP solvates represent the majority of the species in solutions for the more concentrated mixtures, and only in very dilute compositions does the SSIP solvate exist in significant amounts. Thus, the poor charge transport characteristics of CIP and AGG account for the low conductivity and transport properties of LiTf and explain why is a poor choice as a source of Li+ ions in a Li-ion battery.

  10. Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel.

    Science.gov (United States)

    Jalily Hasani, Horia; Ganesan, Aravindhan; Ahmed, Marawan; Barakat, Khaled H

    2018-01-01

    The voltage-gated KCNQ1 potassium ion channel interacts with the type I transmembrane protein minK (KCNE1) to generate the slow delayed rectifier (IKs) current in the heart. Mutations in these transmembrane proteins have been linked with several heart-related issues, including long QT syndromes (LQTS), congenital atrial fibrillation, and short QT syndrome. Off-target interactions of several drugs with that of KCNQ1/KCNE1 ion channel complex have been known to cause fatal cardiac irregularities. Thus, KCNQ1/KCNE1 remains an important avenue for drug-design and discovery research. In this work, we present the structural and mechanistic details of potassium ion permeation through an open KCNQ1 structural model using the combined molecular dynamics and steered molecular dynamics simulations. We discuss the processes and key residues involved in the permeation of a potassium ion through the KCNQ1 ion channel, and how the ion permeation is affected by (i) the KCNQ1-KCNE1 interactions and (ii) the binding of chromanol 293B ligand and its derivatives into the complex. The results reveal that interactions between KCNQ1 with KCNE1 causes a pore constriction in the former, which in-turn forms small energetic barriers in the ion-permeation pathway. These findings correlate with the previous experimental reports that interactions of KCNE1 dramatically slows the activation of KCNQ1. Upon ligand-binding onto the complex, the energy-barriers along ion permeation path are more pronounced, as expected, therefore, requiring higher force in our steered-MD simulations. Nevertheless, pulling the ion when a weak blocker is bound to the channel does not necessitate high force in SMD. This indicates that our SMD simulations have been able to discern between strong and week blockers and reveal their influence on potassium ion permeation. The findings presented here will have some implications in understanding the potential off-target interactions of the drugs with the KCNQ1/KCNE1 channel

  11. Structural and electrical properties of swift heavy ion beam irradiated ...

    Indian Academy of Sciences (India)

    Synthesis of swift heavy ion induced metal silicide is a new advancement in materials science research. We have investigated the mixing at Co/Si interface by swift heavy ion beam induced irradiation in the electronic stopping power regime. Irradiations were undertaken at room temperature using 120 MeV Au ions at the ...

  12. Serotoninergic receptors in brain tissue: properties and identification of various 3H-ligand binding sites in vitro

    International Nuclear Information System (INIS)

    Leysen, J.E.

    1981-01-01

    In vitro binding studies to serotoninergic receptors were performed using 3 H-LSD, 3 H-5-HT and 3 H-spiperone. An overwiew is given on findings using these three ligands with respect to the following: localization of specific binding sites, in various animal species, the regional distribution in the brain and periphery, the subcellular and cellular distribution. Properties of the binding sites, influence of the composition of the assay medium, binding kinetic properties, receptor regulation in vivo. Identity of the binding sites, differences between site for various 3 H-ligands, pharmacological specificity of the membranous binding sites, chemical composition of the macromolecular complex constituting the binding site. Function of the receptor. Binding affinities of 44 compounds were measured in binding assays using 3 H-spiperone and 3 H-LSD with rat frontal cortex membrane preparations and using 3 H-5-HT and 3 H-LSD with rat hippocampal membrane preparations

  13. Modification of anti-bacterial surface properties of textile polymers by vacuum arc ion source implantation

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaev, A.G., E-mail: nik@opee.hcei.tsc.ru [High Current Electronics Institute, Siberian Branch of the Russian Academy of Sciences, Tomsk 634055 (Russian Federation); Yushkov, G.Yu.; Oks, E.M. [High Current Electronics Institute, Siberian Branch of the Russian Academy of Sciences, Tomsk 634055 (Russian Federation); Oztarhan, A. [Izmir University, Izmir 35140 (Turkey); Akpek, A.; Hames-Kocabas, E.; Urkac, E.S. [Bioengineering Department, Ege University, Bornova 35100, Izmir (Turkey); Brown, I.G. [Lawrence Berkeley National Laboratory, Berkeley, CA 94708 (United States)

    2014-08-15

    Highlights: • Ion implantation. • Anti-bacterial properties. • Textile polymer. • Vacuum arc ion source. - Abstract: Ion implantation provides an important technology for the modification of material surface properties. The vacuum arc ion source is a unique instrument for the generation of intense beams of metal ions as well as gaseous ions, including mixed metal–gas beams with controllable metal:gas ion ratio. Here we describe our exploratory work on the application of vacuum arc ion source-generated ion beams for ion implantation into polymer textile materials for modification of their biological cell compatibility surface properties. We have investigated two specific aspects of cell compatibility: (i) enhancement of the antibacterial characteristics (we chose to use Staphylococcus aureus bacteria) of ion implanted polymer textile fabric, and (ii) the “inverse” concern of enhancement of neural cell growth rate (we chose Rat B-35 neuroblastoma cells) on ion implanted polymer textile. The results of both investigations were positive, with implantation-generated antibacterial efficiency factor up to about 90%, fully comparable to alternative conventional (non-implantation) approaches and with some potentially important advantages over the conventional approach; and with enhancement of neural cell growth rate of up to a factor of 3.5 when grown on suitably implanted polymer textile material.

  14. Binding properties of HABA-type azo derivatives to avidin and avidin-related protein 4.

    Science.gov (United States)

    Repo, Susanna; Paldanius, Tiina A; Hytönen, Vesa P; Nyholm, Thomas K M; Halling, Katrin K; Huuskonen, Juhani; Pentikäinen, Olli T; Rissanen, Kari; Slotte, J Peter; Airenne, Tomi T; Salminen, Tiina A; Kulomaa, Markku S; Johnson, Mark S

    2006-10-01

    The chicken genome encodes several biotin-binding proteins, including avidin and avidin-related protein 4 (AVR4). In addition to D-biotin, avidin binds an azo dye compound, 4-hydroxyazobenzene-2-carboxylic acid (HABA), but the HABA-binding properties of AVR4 are not yet known. Differential scanning calorimetry, UV/visible spectroscopy, and molecular modeling were used to analyze the binding of 15 azo molecules to avidin and AVR4. Significant differences are seen in azo compound preferences for the two proteins, emphasizing the importance of the loop between strands beta3 and beta4 for azo ligand recognition; information on these loops is provided by the high-resolution (1.5 A) X-ray structure for avidin reported here. These results may be valuable in designing improved tools for avidin-based life science and nanobiotechnology applications.

  15. Properties of achetakinin binding sites on malpighian tubule membranes from the house cricket, Acheta domesticus.

    Science.gov (United States)

    Chung, J S; Wheeler, C H; Goldsworthy, G J; Coast, G M

    1995-01-01

    A biologically active 125I-labeled analogue of AK-II (3'-hydroxyphenyl propionic-Gly-Gly-Gly-Phe-Ser-Pro-Trp-Gly-NH2) was used to investigate the properties of achetakinin binding sites on plasma membranes from Malpighian tubules of Acheta domesticus. With optimized conditions, binding was rapid, reversible, and specific, and saturation studies revealed a single class of binding sites with Kd 0.55 nM and Bmax 39.9 fmol/mg membrane protein. The affinities of achetakinins for binding sites on tubule membranes ranked AK-V > AK III > AK-II > AK-I > or = AK-IV, in general agreement with their potencies in functional assays. However, IC50 values were several orders of magnitude higher than corresponding values for EC50, which suggests a considerable receptor reserve.

  16. Liquid crystalline polymer electrolyte membranes with ion gating properties

    Science.gov (United States)

    Cao, Jinwei; Piedrahita, Camilo; Koterasawa, Kagami; Freedman, Abegel; Martins, Juliana; Kyu, Thein; Pugh, Coleen; Adachi, Kaoru; Tsukahara, Yasuhisa

    Polymer electrolyte membranes (PEMs) with ion conducting channels have been fabricated via photo-polymerization of liquid crystalline monomers, synthesized in our laboratory. The monomers consist of polyethylene glycol segments as the ion conduction medium and photoactive azobenzene mesogen. Guided by the phase diagram of azobenzene LC and nematic LC, ion conducting channels are formed in the liquid crystalline phases. Ionic conductivities of the azobenzene LCs were measured in trans-state and cis-state using AC impedance spectroscopy. By applying UV or visible light, the opening/closing of ion channels may be controlled through rapid trans-cis isomerization of azobenzene mesogen by light irradiation. Therefore, the ion conduction ability of the PEMs can be optically controlled, affording ion gating capability of the PEMs. These PEMs can act as the ion conducting channels on cell membranes and, therefore, may be used to construct artificial neurons. Supported by NSF-DMR 1502543.

  17. Molecular Properties of Globin Channels and Pores: Role of Cholesterol in Ligand Binding and Movement

    Directory of Open Access Journals (Sweden)

    Gene A Morrill

    2016-09-01

    Full Text Available ABSTRACT: Globins contain one or more cavities that control or affect such functions as ligand movement and ligand binding. Here we report that the extended globin family [cytoglobin (Cygb; neuroglobin (Ngb; myoglobin (Mb; hemoglobin (Hb subunits Hba(α and Hbb(β] contain either a transmembrane (TM helix or pore-lining region as well as internal cavities. Protein motif/domain analyses indicate that Ngb and Hbb each contain 5 cholesterol-binding (CRAC/CARC domains and 1 caveolin binding motif, whereas the Cygb dimer has 6 cholesterol-binding domains but lacks caveolin-binding motifs. Mb and Hba each exhibit 2 cholesterol-binding domains and also lack caveolin-binding motifs. The Hb αβ-tetramer contains 14 cholesterol-binding domains. Computer algorithms indicate that Cygb and Ngb cavities display multiple partitions and C-terminal pore-lining regions, whereas Mb has three major cavities plus a C-terminal pore-lining region. The Hb tetramer exhibits a large internal cavity but the subunits differ in that they contain a C-terminal TM helix (Hba and pore-lining region (Hbb. The cavities include 43 of 190 Cygb residues, 38 of 151 of Ngb residues, 55 of 154 Mb residues and 137 of 688 residues in the Hb tetramer. Each cavity complex includes 6 to 8 residues of the TM helix or pore-lining region and CRAC/CARC domains exist within all cavities. Erythrocyte Hb αβ-tetramers are largely cytosolic but also bind to a membrane anion exchange protein, band 3, which contains a large internal cavity and 12 TM helices (5 being pore-lining regions. The Hba TM helix may be the erythrocyte membrane band 3 attachment site. Band 3 contributes 4 caveolin binding motifs and 10 CRAC/CARC domains. Cholesterol binding may create lipid-disordered phases that alter globin cavities and facilitate ligand movement, permitting ion channel formation and conformational changes that orchestrate anion and ligand (O2, CO2, NO movement within the large internal cavities and

  18. Properties of Folate Binding Protein Purified from Cow’s Milk

    Directory of Open Access Journals (Sweden)

    SUBANDRATE

    2012-09-01

    Full Text Available Folic acid played an important role in the metabolism of the body. To measure the serum folic acid levels could use the folate binding protein (FBP from cow’s milk with a technique analogous to ELISA. The aims of this study were to identify characteristics of FBP from cow’s milk and binding capacity of FBP to folic acid and to purify FBP from other whey protein passed through DEAE-cellulose chromatography column. Each of DEAE-cellulose peaks was passed in affinity chromatography column. FBP was released from affinity column with sodium acetate buffer pH 3.5. The purity of obtained FBP was demonstrated by a single spot in SDS-PAGE analysis and the estimated molecular weight of FBP was around 31 kDa. Our study indicated that 1 mol FBP bound 1 mol folic acid. Alkylation with iodoacetic acid decreased the binding capacity of FBP which suggested the presence of a–SH or imidazol group in its active site. The importance of disulfide bridge was proven by decreasing of folate binding capacity of FBP after -mercaptoethanol treatment. In contrary, the folate binding didn need Ca2+ ion, as indicated by EDTA test which gave the same result as control.

  19. Identification of fluorescent compounds with non-specific binding property via high throughput live cell microscopy.

    Directory of Open Access Journals (Sweden)

    Sangeeta Nath

    Full Text Available INTRODUCTION: Compounds exhibiting low non-specific intracellular binding or non-stickiness are concomitant with rapid clearing and in high demand for live-cell imaging assays because they allow for intracellular receptor localization with a high signal/noise ratio. The non-stickiness property is particularly important for imaging intracellular receptors due to the equilibria involved. METHOD: Three mammalian cell lines with diverse genetic backgrounds were used to screen a combinatorial fluorescence library via high throughput live cell microscopy for potential ligands with high in- and out-flux properties. The binding properties of ligands identified from the first screen were subsequently validated on plant root hair. A correlative analysis was then performed between each ligand and its corresponding physiochemical and structural properties. RESULTS: The non-stickiness property of each ligand was quantified as a function of the temporal uptake and retention on a cell-by-cell basis. Our data shows that (i mammalian systems can serve as a pre-screening tool for complex plant species that are not amenable to high-throughput imaging; (ii retention and spatial localization of chemical compounds vary within and between each cell line; and (iii the structural similarities of compounds can infer their non-specific binding properties. CONCLUSION: We have validated a protocol for identifying chemical compounds with non-specific binding properties that is testable across diverse species. Further analysis reveals an overlap between the non-stickiness property and the structural similarity of compounds. The net result is a more robust screening assay for identifying desirable ligands that can be used to monitor intracellular localization. Several new applications of the screening protocol and results are also presented.

  20. In Vitro Antioxidant versus Metal Ion Chelating Properties of Flavonoids: A Structure-Activity Investigation

    Science.gov (United States)

    Cherrak, Sabri Ahmed; Mokhtari-Soulimane, Nassima; Berroukeche, Farid; Bensenane, Bachir; Cherbonnel, Angéline; Merzouk, Hafida; Elhabiri, Mourad

    2016-01-01

    Natural flavonoids such as quercetin, (+)catechin and rutin as well as four methoxylated derivatives of quercetin used as models were investigated to elucidate their impact on the oxidant and antioxidant status of human red blood cells (RBCs). The impact of these compounds against metal toxicity was studied as well as their antiradical activities with DPPH assay. Antihemolytic experiments were conducted on quercetin, (+)catechin and rutin with excess of Fe, Cu and Zn (400 μM), and the oxidant (malondialdehyde, carbonyl proteins) and antioxidant (reduced glutathione, catalase activity) markers were evaluated. The results showed that Fe and Zn have the highest prooxidant effect (37 and 33% of hemolysis, respectively). Quercetin, rutin and (+)catechin exhibited strong antioxidant properties toward Fe, but this effect was decreased with respect to Zn ions. However, the Cu showed a weak antioxidant effect at the highest flavonoid concentration (200 μM), while a prooxidant effect was observed at the lowest flavonoid concentration (100 μM). These results are in agreement with the physico-chemical and antiradical data which demonstrated that binding of the metal ions (for FeNTA: (+)Catechin, KLFeNTA = 1.6(1) × 106 M-1 > Rutin, KLFeNTA = 2.0(9) × 105 M-1 > Quercetin, KLFeNTA = 1.0(7) × 105 M-1 > Q35OH, KLFeNTA = 6.3(8.7) × 104 M-1 > Quercetin3’4’OH and Quercetin 3OH, KLFeNTA ~ 2 × 104 M-1) reflects the (anti)oxidant status of the RBCs. This study reveals that flavonoids have both prooxidant and antioxidant activity depending on the nature and concentration of the flavonoids and metal ions. PMID:27788249

  1. The copper binding properties of metformin - QCM-D, XPS and nanobead agglomeration

    DEFF Research Database (Denmark)

    Quan, Xueling; Uddin, Rokon; Heiskanen, Arto

    2015-01-01

    Study of the copper binding properties of metformin is important for revealing its mechanism of action as a first-line type-2 diabetes drug. A quantitative investigation of interactions between metformin and l-cysteine-copper complexes was performed. The results suggest that metformin could inter...

  2. Structure and binding properties of a cameloid nanobody raised against KDM5B

    DEFF Research Database (Denmark)

    Wiuf, Anders; Kristensen, Line Hyltoft; Kristensen, Ole

    2015-01-01

    The histone demethylase KDM5B is considered to be a promising target for anticancer therapy. Single-chain antibodies from llama (nanobodies) have been raised to aid in crystallization and structure determination of this enzyme. The antigen-binding properties of 15 of these nanobodies have been...

  3. Surface binding properties of aged and fresh (recently excreted) Toxoplasma gondii oocysts

    Science.gov (United States)

    The surface properties of aged (stored for 10 years) and fresh (recently excreted) oocysts of Toxoplasma gondii were investigated using monoclonal antibody (mAb) and lectin-binding assays. Fresh oocysts bound a wall-specific mAb labeled with fluorescein isothiocyanate while aged oocysts did not. In ...

  4. Aggregation induced emission enhancement (AIEE) characteristics of quinoline based compound - A versatile fluorescent probe for pH, Fe(III) ion, BSA binding and optical cell imaging

    Science.gov (United States)

    Manikandan, Irulappan; Chang, Chien-Huei; Chen, Chia-Ling; Sathish, Veerasamy; Li, Wen-Shan; Malathi, Mahalingam

    2017-07-01

    Novel benzimidazoquinoline derivative (AVT) was synthesized through a substitution reaction and characterized by various spectral techniques. Analyzing the optical properties of AVT under absorption and emission spectral studies in different environments exclusively with respect to solvents and pH, intriguing characteristics viz. aggregation induced emission enhancement (AIEE) in the THF solvent and 'On-Off' pH sensing were found at neutral pH. Sensing nature of AVT with diverse metal ions and bovine serum albumin (BSA) was also studied. Among the metal ions, Fe3 + ion alone tunes the fluorescence intensity of AVT probe in aqueous medium from ;turn-on; to ;turn-off; through ligand (probe) to metal charge transfer (LMCT) mechanism. The probe AVT in aqueous medium interacts strongly with BSA due to Fluorescence Resonance Energy Transfer (FRET) and the conformational change in BSA was further analyzed using synchronous fluorescence techniques. Docking study of AVT with BSA reveals that the active site of binding is tryptophan residue which is also supported by the experimental results. Interestingly, fluorescent AVT probe in cells was examined through cellular imaging studies using BT-549 and MDA-MB-231 cells. Thus, the single molecule probe based detection of multiple species and stimuli were described.

  5. Supramolecular Properties of Triazole-containing Two Armed Peptidomimetics: From Organogelators to Nucleotide-binding Tweezers

    Science.gov (United States)

    Chui, Tin Ki

    obtain a clearer picture on the mode of association of these two series of branched peptidomimetics, the length of the tripeptidomimetic arms was truncated to a dipeptide, and the amino acid, valine, was used for further studies. Both the two new candidates, 88-K-V2 and 89-B-V2, were shown to dimerize in chloroform as shown from vapor pressure osmometry (VPO) studies. 1H NMR titration experiments indicated a better dimerization strength for the latter candidate due to the intermolecular pi-pi interactions offered by its benzene ring in addition to the intermolecular hydrogen bonding by the amides and triazole units. H/D exchange and 2D NMR experiments, and molecular modeling revealed that 88-K-V2 dimerized through the formation of antiparallel beta-strands whereas formation of parallel beta-strands took place in 89-B-V2. Compound 88-K-V2 was found to form 1:1 complexes with chloride (Ka 640 M-1) and monobasic diethyl phosphate (DEP) ion (Ka 810 M-1) in chloroform. Interestingly, 89-B-V 2 was shown to form the usual 1:1 complex with the former ion (Ka 970 M-1) while forming an unexpected 2:1 complex with the latter with positive cooperativity. It was observed that both the amides and triazole protons were involved in anion-binding. In the 88-K-V2-DEP complex, the host formed a helix-like structure that wrapped around the anion located at the center of the complex as determined by 2D NMR and molecular modeling studies. Finally, further structural modification of 88-K-V2 gave a water-soluble nucleotide-binding tweezer 93-K-R2·4TFA . This tweezer consisted of four arginines (R), two triazole units, two pyrene probes and a small hydrophilic ethanolamine tail. Fluorescence study showed that this tweezer was able to form 1:1 complexes with different nucleotides in water with similar binding strength regardless of the number of phosphate groups present in the nucleotides. Moleular modeling suggested that such a charge-independent binding behavior was due to the similar number

  6. 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....

  7. Thermal properties of lithium-ion battery and components

    Energy Technology Data Exchange (ETDEWEB)

    Maleki, H.; Hallaj, S.A.; Selman, J.R. [Illinois Inst. of Tech., Chicago, IL (United States). Center for Electrochemical Science and Engineering; Dinwiddie, R.B.; Wang, H. [Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.

    1999-03-01

    Experimental thermal property data of the Sony US-18650 lithium-ion battery and components are presented, as well as thermal property measuring techniques. The properties in question are specific heat capacity (C{sub p}), thermal diffusivity ({alpha}), and thermal conductivity ({kappa}), in the presence and absence of electrolyte [1 M LiPF{sub 6} in ethylene carbonate-dimethyl carbonate (EC:DMC, 1:1 wt %)]. The heat capacity of the battery, C{sub p}, is 0.96 {+-} 0.02 J/g K at an open-circuit voltage (OCV) of 2.75 V, and 1.04 {+-} 0.02 J/g K at 3.75 V. The thermal conductivity, {kappa}, was calculated from {kappa} {identical_to} {alpha}{rho}C{sub p} where {alpha} was measured by a xenon-flash technique. In the absence of electrolyte, {kappa} increases with OCV, for both the negative electrode (NE) and the positive electrode (PE). For the NE, the increase is 26% as the OCV increases from 2.75 to 3.75 V, whereas for the PE the increase is only 5 to 6%. The dependence of both C{sub p} and {kappa} on OCV is explained qualitatively by considering the effect of lithiation and delithiation on the electron carrier density, which leads to n-type semiconduction in the graphitic NE material, but a change from semiconducting to metallic character in Li{sub x}CoO{sub 2} PE material. The overall effect is an increase of C{sub p} and {kappa} with OCV. For {kappa} this dependence is eliminated by electrolyte addition, which, however, greatly increases the effective {kappa} of the layered battery components by lowering the thermal contact resistance. For both NE and PE, the in-plane {kappa} value (measured along layers) is nearly one order of magnitude higher than the cross-plane {kappa}. This is ascribed mostly to the high thermal conductivity of the current collectors and to a lesser extent to the orientation of particles in the layers of electrodes.

  8. Benchmarking a computational design method for the incorporation of metal ion-binding sites at symmetric protein interfaces.

    Science.gov (United States)

    Hansen, William A; Khare, Sagar D

    2017-08-01

    The design of novel metal-ion binding sites along symmetric axes in protein oligomers could provide new avenues for metalloenzyme design, construction of protein-based nanomaterials and novel ion transport systems. Here, we describe a computational design method, symmetric protein recursive ion-cofactor sampling (SyPRIS), for locating constellations of backbone positions within oligomeric protein structures that are capable of supporting desired symmetrically coordinated metal ion(s) chelated by sidechains (chelant model). Using SyPRIS on a curated benchmark set of protein structures with symmetric metal binding sites, we found high recovery of native metal coordinating rotamers: in 65 of the 67 (97.0%) cases, native rotamers featured in the best scoring model while in the remaining cases native rotamers were found within the top three scoring models. In a second test, chelant models were crossmatched against protein structures with identical cyclic symmetry. In addition to recovering all native placements, 10.4% (8939/86013) of the non-native placements, had acceptable geometric compatibility scores. Discrimination between native and non-native metal site placements was further enhanced upon constrained energy minimization using the Rosetta energy function. Upon sequence design of the surrounding first-shell residues, we found further stabilization of native placements and a small but significant (1.7%) number of non-native placement-based sites with favorable Rosetta energies, indicating their designability in existing protein interfaces. The generality of the SyPRIS approach allows design of novel symmetric metal sites including with non-natural amino acid sidechains, and should enable the predictive incorporation of a variety of metal-containing cofactors at symmetric protein interfaces. © 2017 The Protein Society.

  9. Ion binding to natural organic matter : General considerations and the NICA-Donnan model

    NARCIS (Netherlands)

    Koopal, L.K.; Saito, T.; Pinheiro, J.P.; Riemsdijk, van W.H.

    2005-01-01

    The general principles of cation binding to humic matter and the various aspects of modeling used in general-purpose speciation programs are discussed. The discussion will focus on (1) the discrimination between chemical and electrostatic interactions, (2) the binding site heterogeneity, (3) the

  10. Metal Cation Binding to Gas-Phase Pentaalanine: Divalent Ions Restructure the Complex

    NARCIS (Netherlands)

    Dunbar, R.C.; Steill, J.D.; Polfer, N.C.; Oomens, J.

    2013-01-01

    Ion-neutral complexes of pentaalalanine with several singly- and doubly charged metal ions are examined using conformation analysis by infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) computations. The infrared spectroscopy in the 1500-1800 cm(-1) region

  11. PatchSurfers: Two methods for local molecular property-based binding ligand prediction.

    Science.gov (United States)

    Shin, Woong-Hee; Bures, Mark Gregory; Kihara, Daisuke

    2016-01-15

    Protein function prediction is an active area of research in computational biology. Function prediction can help biologists make hypotheses for characterization of genes and help interpret biological assays, and thus is a productive area for collaboration between experimental and computational biologists. Among various function prediction methods, predicting binding ligand molecules for a target protein is an important class because ligand binding events for a protein are usually closely intertwined with the proteins' biological function, and also because predicted binding ligands can often be directly tested by biochemical assays. Binding ligand prediction methods can be classified into two types: those which are based on protein-protein (or pocket-pocket) comparison, and those that compare a target pocket directly to ligands. Recently, our group proposed two computational binding ligand prediction methods, Patch-Surfer, which is a pocket-pocket comparison method, and PL-PatchSurfer, which compares a pocket to ligand molecules. The two programs apply surface patch-based descriptions to calculate similarity or complementarity between molecules. A surface patch is characterized by physicochemical properties such as shape, hydrophobicity, and electrostatic potentials. These properties on the surface are represented using three-dimensional Zernike descriptors (3DZD), which are based on a series expansion of a 3 dimensional function. Utilizing 3DZD for describing the physicochemical properties has two main advantages: (1) rotational invariance and (2) fast comparison. Here, we introduce Patch-Surfer and PL-PatchSurfer with an emphasis on PL-PatchSurfer, which is more recently developed. Illustrative examples of PL-PatchSurfer performance on binding ligand prediction as well as virtual drug screening are also provided. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. Electronic transport properties of fullerene functionalized carbon nanotubes: Ab initio and tight-binding calculations

    DEFF Research Database (Denmark)

    Fürst, Joachim Alexander; Hashemi, J.; Markussen, Troels

    2009-01-01

    techniques and tight-binding calculations to illustrate these materials' transmission properties and give physical arguments to interpret the numerical results. Specifically, above the Fermi energy we find a strong reduction in electron transmission due to localized states in certain regions of the structure......Fullerene functionalized carbon nanotubes-NanoBuds-form a novel class of hybrid carbon materials, which possesses many advantageous properties as compared to the pristine components. Here, we report a theoretical study of the electronic transport properties of these compounds. We use both ab initio...

  13. Alteration of human serum albumin binding properties induced by modifications: A review

    Science.gov (United States)

    Maciążek-Jurczyk, Małgorzata; Szkudlarek, Agnieszka; Chudzik, Mariola; Pożycka, Jadwiga; Sułkowska, Anna

    2018-01-01

    Albumin, a major transporting protein in the blood, is the main target of modification that affects the binding of drugs to Sudlow's site I and II. These modification of serum protein moderates its physiological function, and works as a biomarker of some diseases. The main goal of the paper was to explain the possible alteration of human serum albumin binding properties induced by modifications such as glycation, oxidation and ageing, their origin, methods of evaluation and positive and negative meaning described by significant researchers.

  14. Mechanical properties of ion-beam-textured surgical implant alloys

    Science.gov (United States)

    Weigand, A. J.

    1977-01-01

    An electron-bombardment Hg ion thruster was used as an ion source to texture surfaces of materials used to make orthopedic and/or dental prostheses or implants. The materials textured include 316 stainless steel, titanium-6% aluminum, 4% vanadium, and cobalt-20% chromium, 15% tungsten. To determine the effect of ion texturing on the ultimate strength and yield strength, stainless steel and Co-Cr-W alloy samples were tensile tested to failure. Three types of samples of both materials were tested. One type was ion-textured (the process also heats each sample to 300 C), another type was simply heated to 300 C in an oven, and the third type was untreated. Stress-strain diagrams, 0.2% offset yield strength data, total elongation data, and area reduction data are presented. Fatigue specimens of ion textured and untextured 316 stainless steel and Ti-6% Al-4% V were tested. Included as an ion textured sample is a Ti-6% Al-4% V sample which was ion machined by means of Ni screen mask so as to produce an array of 140 mu m x 140 mu m x 60 mu m deep pits. Scanning electron microscopy was used to characterize the ion textured surfaces.

  15. The effect of metal ion implantation on the surface mechanical properties of Mylar (PET)

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, W.; Sood, D.K. [Royal Melbourne Inst. of Tech., VIC (Australia); Yao, X.; Brown, I.G. [California Univ., Berkeley, CA (United States). Lawrence Berkeley Lab.

    1993-12-31

    Ion implantation of polymers leads to the formation of new carbonaceous materials, the revolution during implantation of various species consists of (1) ion beam induced damage: chain scission, crosslinking, molecular emission of volatile elements and compounds, stoichiometric change in the surface layer of pristine polymers; and (2) chemical effect between ion and target materials: microalloying and precipitation. Literature regarding ion implanted polymers shows that the reorganisation of the carbon network after implantation can dramatically modify several properties of pristine polymers solubility, molecular weight, and electrical, optical and mechanical properties. However, ion implantation of polymers is actually a very complex interaction which depends on not only ion species, implantation condition, but also polymer type and specific structure. In this paper the effect of Ag or Ti ions implantation on surface mechanical properties of PET (polyethylenne terephthalate) polymer is reported. There was a clear deterioration in wear resistance after implantation of both Ag and Ti ions. It is suggested that the increment of wear after implantation may result from not only ion damage but also chemical effect between ion and target material. 3 refs., 1 tab., 2 figs.

  16. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Science.gov (United States)

    Ahmad, Shahbaz; Bashir, Shazia; Ali, Nisar; Umm-i-Kalsoom; Yousaf, Daniel; Faizan-ul-Haq; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 1012 to 26 × 1013 ions/cm2. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation, augmentation, recombination and annihilation of the ion-induced defects.

  17. Processing-property relationship in ion-exchanged ESP (engineered stress profile) glasses

    Science.gov (United States)

    Shen, Junwu

    2003-06-01

    A novel two-step ion exchange process was recently proposed to produce Engineered Stress Profile (ESP) glass. Important characteristics of ESP glass include high strength, relatively low strength variability and high surface damage resistance. It has been found that the mechanical reliability of ESP glass is mainly dependent on the processing conditions. Therefore, the primary objective of the current thesis is to quantitatively study the relationship between the mechanical properties of ESP glasses and the ion exchange processing conditions. Based on this relationship, processing conditions can be determined for any particular requirement of mechanical behavior for ion exchanged glass. To establish a property-processing relationship in ESP glasses, it is necessary to predict the stress profile in ion exchanged glass from the processing conditions. Since the residual stress profile in ion exchanged glass is mainly caused by the K/Na ion exchange and the stress relaxation, the diffusion process and the stress relaxation behavior of glass were studied. The K2O concentration profiles in singe-step and two-step ion exchanged soda lime silicate (SLS) glasses were calculated and found to be in a good agreement with the measured concentration profiles. The uniaxial compressive stress relaxation behavior of the SLS glass in the current thesis at typical ion exchange temperatures was studied. Since the surface composition in ion exchanged glass is significantly different from the composition of untreated glass, this composition difference could cause significant difference in glass properties including viscosity and stress relaxation. Therefore, properties of glasses with different K/Na ratios were studied, and empirical equations were obtained to estimate glass properties from the glass composition. Given the diffusion coefficient, surface concentration, composition-dependent dilation coefficient and stress relaxation data, residual stress profiles in ion-exchanged glasses

  18. Synthesis and Ion-Exchange Properties of Graphene Th(IV) Phosphate Composite Cation Exchanger: Its Applications in the Selective Separation of Lead Metal Ions

    OpenAIRE

    Rangreez, Tauseef Ahmad; Inamuddin,; Asiri, Abdullah M.; Alhogbi, Basma G.; Naushad, Mu.

    2017-01-01

    In this study, graphene Th(IV) phosphate was prepared by sol?gel precipitation method. The ion-exchange behavior of this cation-exchanger was studied by investigating properties like ion-exchange capacity for various metal ions, the effect of eluent concentration, elution behavior, and thermal effect on ion-exchange capacity (IEC). Several physicochemical properties as Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD) study, thermal studies, scanning electron microscopy ...

  19. Sequential binding of calcium ions to the B-repeat domain of SdrD from Staphylococcus aureus.

    Science.gov (United States)

    Roman, Andrei Yu; Devred, François; Lobatchov, Vladimir M; Makarov, Alexander A; Peyrot, Vincent; Kubatiev, Aslan A; Tsvetkov, Philipp O

    2016-02-01

    Biofilms of live bacteria forming on medical devices and implants contribute significantly to bacterial blood dissemination and to the spread of nosocomial infections. Cell surface SdrD protein plays a key role in the attachment of Staphylococcus aureus to the extracellular matrix (ECM) and in the formation of biofilm. SdrD binds calcium ions using its B1-B5 region bearing EF-hand Ca-binding sites, leading to conformational changes in the structure of SdrD. This alters the distance between the bacterial surface and the ECM-interacting domain of SdrD in a spring-like fashion, participating in bacterial attachment. In this study we investigated calcium binding to EF-hand sites of SdrD using isothermal titration calorimetry and determined the impact of this process on SdrD's thermodynamic stability. This allowed us to propose a model of B1-B5 reorganization upon binding of calcium and to get new insight into the molecular mechanism of SdrD's action.

  20. Composite absorbers consisting of inorganic ion-exchangers and polyacrylonitrile binding matrix

    International Nuclear Information System (INIS)

    Sebesta, F.; John, J.; Motl, A.; Peka, V.; Vackova, E.

    1997-01-01

    Both cementation and vitrification was shown by preliminary experiments to be applicable for treatment of the spent composite absorbers with polyacrylonitrile binding matrix for final disposal. Loading of cement mix with composite absorbers up to 5-9% (w/w) were achieved Admixtures of natural clinoptilolite were found to improve compressive strength of the samples. The presence of PAN binding polymer was found not to disqualify the composite absorber tested from final treatment by vitrification. (author)

  1. Kinetic Properties of Solar Wind Silicon and Iron Ions

    Science.gov (United States)

    Janitzek, N. P.; Berger, L.; Drews, C.; Wimmer-Schweingruber, R. F.

    2017-12-01

    Heavy ions with atomic numbers Z>2 account for less than one percent of the solar wind ions. However, serving as test particles with differing mass and charge, they provide a unique experimental approach to major questions of solar and fundamental plasma physics such as coronal heating, the origin and acceleration of the solar wind and wave-particle interaction in magnetized plasma. Yet the low relative abundances of the heavy ions pose substantial challenges to the instrumentation measuring these species with reliable statistics and sufficient time resolution. As a consequence the numbers of independent measurements and studies are small. The Charge Time-Of-Flight (CTOF) mass spectrometer as part of the Charge, ELement and Isotope Analysis System (CELIAS) onboard the SOlar and Heliospheric Observatory (SOHO) is a linear time-of-flight mass spectrometer which was operated at Lagrangian point L1 in 1996 for a few months only, before it suffered an instrument failure. Despite its short operation time, the CTOF sensor measured solar wind heavy ions with excellent charge state separation, an unprecedented cadence of 5 minutes and very high counting statistics, exceeding similar state-of-the-art instruments by a factor of ten. In contrast to earlier CTOF studies which were based on reduced onboard post-processed data, in our current studies we use raw Pulse Height Analysis (PHA) data providing a significantly increased mass, mass-per-charge and velocity resolution. Focussing on silicon and iron ion measurements, we present an overview of our findings on (1) short time behavior of heavy ion 1D radial velocity distribution functions, (2) differential streaming between heavy ions and solar wind bulk protons, (3) kinetic temperatures of heavy ions. Finally, we compare the CTOF results with measurements of the Solar Wind Ion Composition Spectrometer (SWICS) instrument onboard the Advanced Composition Explorer (ACE).

  2. Effect of ion irradiation on the surface, structural and mechanical properties of brass

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Shahbaz; Bashir, Shazia, E-mail: shaziabashir@gcu.edu.pk; Ali, Nisar; Umm-i-Kalsoom,; Yousaf, Daniel; Faizan-ul-Haq,; Naeem, Athar; Ahmad, Riaz; Khlaeeq-ur-Rahman, M.

    2014-04-01

    Highlights: • Brass targets were exposed to carbon ions of energy 2 MeV. • The effect of ion dose has been investigated. • The surface morphology is investigated by SEM analysis. • XRD analysis is performed to reveal structural modification. • Mechanical properties were investigated by tensile testing and microhardness testing. - Abstract: Modifications to the surface, structural and mechanical properties of brass after ion irradiation have been investigated. Brass targets were bombarded by carbon ions of 2 MeV energy from a Pelletron linear accelerator for various fluences ranging from 56 × 10{sup 12} to 26 × 10{sup 13} ions/cm{sup 2}. A scanning electron microscope and X-ray diffractometer were utilized to analyze the surface morphology and crystallographic structure respectively. To explore the mechanical properties e.g., yield stress, ultimate tensile strength and microhardness of irradiated brass, an universal tensile testing machine and Vickers microhardness tester were used. Scanning electron microscopy results revealed an irregular and randomly distributed sputter morphology for a lower ion fluence. With increasing ion fluence, the incoherently shaped structures were transformed into dendritic structures. Nano/micro sized craters and voids, along with the appearance of pits, were observed at the maximum ion fluence. From X-ray diffraction results, no new phases were observed to be formed in the brass upon irradiation. However, a change in the peak intensity and higher and lower angle shifting were observed, which represents the generation of ion-induced defects and stresses. Analyses confirmed modifications in the mechanical properties of irradiated brass. The yield stress, ultimate tensile strength and hardness initially decreased and then increased with increasing ion fluence. The changes in the mechanical properties of irradiated brass are well correlated with surface and crystallographic modifications and are attributed to the generation

  3. Novel molecular-level evidence of iodine binding to natural organic matter from Fourier transform ion cyclotron resonance mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Chen, E-mail: xuchen66@tamu.edu [Laboratory for Environmental and Oceanographic Research, Department of Marine Sciences, Texas A and M University, Building 3029, Galveston, TX 77551 (United States); Chen, Hongmei [Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, VA 23529 (United States); Sugiyama, Yuko [Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, VA 23529 (United States); University of Hyogo, 1-1-12, Shinzaike-honcho, Himeji, Hyogo 670-0092 (Japan); Zhang, Saijin; Li, Hsiu-Ping; Ho, Yi-Fang; Chuang, Chia-ying; Schwehr, Kathleen A. [Laboratory for Environmental and Oceanographic Research, Department of Marine Sciences, Texas A and M University, Building 3029, Galveston, TX 77551 (United States); Kaplan, Daniel I. [Savannah River National Laboratory, Aiken, SC 29808 (United States); Yeager, Chris [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Roberts, Kimberly A. [Savannah River National Laboratory, Aiken, SC 29808 (United States); Hatcher, Patrick G. [Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, VA 23529 (United States); Santschi, Peter H. [Laboratory for Environmental and Oceanographic Research, Department of Marine Sciences, Texas A and M University, Building 3029, Galveston, TX 77551 (United States)

    2013-04-01

    Major fractions of radioiodine ({sup 129}I) are associated with natural organic matter (NOM) in the groundwater and surface soils of the Savannah River Site (SRS). Electrospray ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS) was applied to elucidate the interactions between inorganic iodine species (iodide and iodate) and a fulvic acid (FA) extracted from a SRS surface soil. Iodate is likely reduced to reactive iodine species by the lignin- and tannin-like compounds or the carboxylic-rich alicyclic molecules (CRAM), during which condensed aromatics and lignin-like compounds were generated. Iodide is catalytically oxidized into reactive iodine species by peroxides, while FA is oxidized by peroxides into more aliphatic and less aromatic compounds. Only 9% of the total identified organo-iodine compounds derived from molecules originally present in the FA, whereas most were iodine binding to newly-produced compounds. The resulting iodinated molecules were distributed in three regions in the van Krevelen diagrams, denoting unsaturated hydrocarbons, lignin and protein. Moreover, characteristics of these organo-iodine compounds, such as their relatively low O/C ratios (< 0.2 or < 0.4) and yet some degree of un-saturation close to that of lignin, have multiple important environmental implications concerning possibly less sterically-hindered aromatic ring system for iodine to get access to and a lower hydrophilicity of the molecules thus to retard their migration in the natural aquatic systems. Lastly, ∼ 69% of the identified organo-iodine species contains nitrogen, which is presumably present as -NH{sub 2} or -HNCOR groups and a ring-activating functionality to favor the electrophilic substitution. The ESI-FTICR-MS technique provides novel evidence to better understand the reactivity and scavenging properties of NOM towards radioiodine and possible influence of NOM on {sup 129}I migration. Highlights: ► IO{sub 3}{sup

  4. Neutralizing mutations of carboxylates that bind metal 2 in T5 flap endonuclease result in an enzyme that still requires two metal ions.

    Science.gov (United States)

    Tomlinson, Christopher G; Syson, Karl; Sengerová, Blanka; Atack, John M; Sayers, Jon R; Swanson, Linda; Tainer, John A; Williams, Nicholas H; Grasby, Jane A

    2011-09-02

    Flap endonucleases (FENs) are divalent metal ion-dependent phosphodiesterases. Metallonucleases are often assigned a "two-metal ion mechanism" where both metals contact the scissile phosphate diester. The spacing of the two metal ions observed in T5FEN structures appears to preclude this mechanism. However, the overall reaction catalyzed by wild type (WT) T5FEN requires three Mg(2+) ions, implying that a third ion is needed during catalysis, and so a two-metal ion mechanism remains possible. To investigate the positions of the ions required for chemistry, a mutant T5FEN was studied where metal 2 (M2) ligands are altered to eliminate this binding site. In contrast to WT T5FEN, the overall reaction catalyzed by D201I/D204S required two ions, but over the concentration range of Mg(2+) tested, maximal rate data were fitted to a single binding isotherm. Calcium ions do not support FEN catalysis and inhibit the reactions supported by viable metal cofactors. To establish participation of ions in stabilization of enzyme-substrate complexes, dissociation constants of WT and D201I/D204S-substrate complexes were studied as a function of [Ca(2+)]. At pH 9.3 (maximal rate conditions), Ca(2+) substantially stabilized both complexes. Inhibition of viable cofactor supported reactions of WT, and D201I/D204S T5FENs was biphasic with respect to Ca(2+) and ultimately dependent on 1/[Ca(2+)](2). By varying the concentration of viable metal cofactor, Ca(2+) ions were shown to inhibit competitively displacing two catalytic ions. Combined analyses imply that M2 is not involved in chemical catalysis but plays a role in substrate binding, and thus a two-metal ion mechanism is plausible.

  5. Neutralizing Mutations of Carboxylates That Bind Metal 2 in T5 Flap Endonuclease Result in an Enzyme That Still Requires Two Metal Ions*

    Science.gov (United States)

    Tomlinson, Christopher G.; Syson, Karl; Sengerová, Blanka; Atack, John M.; Sayers, Jon R.; Swanson, Linda; Tainer, John A.; Williams, Nicholas H.; Grasby, Jane A.

    2011-01-01

    Flap endonucleases (FENs) are divalent metal ion-dependent phosphodiesterases. Metallonucleases are often assigned a “two-metal ion mechanism” where both metals contact the scissile phosphate diester. The spacing of the two metal ions observed in T5FEN structures appears to preclude this mechanism. However, the overall reaction catalyzed by wild type (WT) T5FEN requires three Mg2+ ions, implying that a third ion is needed during catalysis, and so a two-metal ion mechanism remains possible. To investigate the positions of the ions required for chemistry, a mutant T5FEN was studied where metal 2 (M2) ligands are altered to eliminate this binding site. In contrast to WT T5FEN, the overall reaction catalyzed by D201I/D204S required two ions, but over the concentration range of Mg2+ tested, maximal rate data were fitted to a single binding isotherm. Calcium ions do not support FEN catalysis and inhibit the reactions supported by viable metal cofactors. To establish participation of ions in stabilization of enzyme-substrate complexes, dissociation constants of WT and D201I/D204S-substrate complexes were studied as a function of [Ca2+]. At pH 9.3 (maximal rate conditions), Ca2+ substantially stabilized both complexes. Inhibition of viable cofactor supported reactions of WT, and D201I/D204S T5FENs was biphasic with respect to Ca2+ and ultimately dependent on 1/[Ca2+]2. By varying the concentration of viable metal cofactor, Ca2+ ions were shown to inhibit competitively displacing two catalytic ions. Combined analyses imply that M2 is not involved in chemical catalysis but plays a role in substrate binding, and thus a two-metal ion mechanism is plausible. PMID:21734257

  6. Structural and electronic properties of ion-implanted superconductors

    International Nuclear Information System (INIS)

    Bernas, H.; Nedellec, P.

    1980-01-01

    Recent work on ion implanted superconductors is reviewed. In situ x-ray, channeling, resistivity, and electron tunneling experiments now approach the relation between lattice order (or disorder) and superconductivity

  7. ATP Binding and Hydrolysis Properties of ABCB10 and Their Regulation by Glutathione

    Science.gov (United States)

    Qiu, Wei; Liesa, Marc; Carpenter, Elizabeth P.; Shirihai, Orian S.

    2015-01-01

    ABCB10 (ATP binding cassette sub-family B10) is a mitochondrial inner-membrane ABC transporter. ABCB10 has been shown to protect the heart from the impact of ROS during ischemia-reperfusion and to allow for proper hemoglobin synthesis during erythroid development. ABC transporters are proteins that increase ATP binding and hydrolysis activity in the presence of the transported substrate. However, molecular entities transported by ABCB10 and its regulatory mechanisms are currently unknown. Here we characterized ATP binding and hydrolysis properties of ABCB10 by using the 8-azido-ATP photolabeling technique. This technique can identify potential ABCB10 regulators, transported substrates and amino-acidic residues required for ATP binding and hydrolysis. We confirmed that Gly497 and Lys498 in the Walker A motif, Glu624 in the Walker B motif and Gly602 in the C-Loop motif of ABCB10 are required for proper ATP binding and hydrolysis activity, as their mutation changed ABCB10 8-Azido-ATP photo-labeling. In addition, we show that the potential ABCB10 transported entity and heme precursor delta-aminolevulinic acid (dALA) does not alter 8-azido-ATP photo-labeling. In contrast, oxidized glutathione (GSSG) stimulates ATP hydrolysis without affecting ATP binding, whereas reduced glutathione (GSH) inhibits ATP binding and hydrolysis. Indeed, we detectABCB10 glutathionylation in Cys547 and show that it is one of the exposed cysteine residues within ABCB10 structure. In all, we characterize essential residues for ABCB10 ATPase activity and we provide evidence that supports the exclusion of dALA as a potential substrate directly transported by ABCB10. Last, we show the first molecular mechanism by which mitochondrial oxidative status, through GSH/GSSG, can regulate ABCB10. PMID:26053025

  8. The oxygen-binding properties of hemocyanin from the mollusk Concholepas concholepas.

    Science.gov (United States)

    González, Andrea; Nova, Esteban; Del Campo, Miguel; Manubens, Augusto; De Ioannes, Alfredo; Ferreira, Jorge; Becker, María Inés

    2017-12-01

    Hemocyanins have highly conserved copper-containing active sites that bind oxygen. However, structural differences among the hemocyanins of various mollusks may affect their physicochemical properties. Here, we studied the oxygen-binding cooperativity and affinity of Concholepas concholepas hemocyanin (CCH) and its two isolated subunits over a wide range of temperatures and pH values. Considering the differences in the quaternary structures of CCH and keyhole limpet hemocyanin (KLH), we hypothesized that the heterodidecameric CCH has different oxygen-binding parameters than the homodidecameric KLH. A novel modification of the polarographic method was applied in which rat liver submitochondrial particles containing cytochrome c oxidase were introduced to totally deplete oxygen of the test solution using ascorbate as the electron donor. This method was both sensitive and reproducible. The results showed that CCH, like other hemocyanins, exhibits cooperativity, showing an inverse relationship between the oxygen-binding parameters and temperature. According to their Hill coefficients, KLH has greater cooperativity than CCH at physiological pH; however, CCH is less sensitive to pH changes than KLH. Appreciable differences in binding behavior were found between the CCH subunits: the cooperativity of CCH-A was not only almost double that of CCH-B, but it was also slightly superior to that of CCH, thus suggesting that the oxygen-binding domains of the CCH subunits are different in their primary structure. Collectively, these data suggest that CCH-A is the main oxygen-binding domain in CCH; CCH-B may play a more structural role, perhaps utilizing its surprising predisposition to form tubular polymers, unlike CCH-A, as demonstrated here using electron microscopy. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties*

    Science.gov (United States)

    Schuepbach-Mallepell, Sonia; Das, Dolon; Willen, Laure; Vigolo, Michele; Tardivel, Aubry; Lebon, Luc; Kowalczyk-Quintas, Christine; Nys, Josquin; Smulski, Cristian; Zheng, Timothy S.; Maskos, Klaus; Lammens, Alfred; Jiang, Xuliang; Hess, Henry; Tan, Seng-Lai; Schneider, Pascal

    2015-01-01

    The closely related TNF family ligands B cell activation factor (BAFF) and a proliferation-inducing ligand (APRIL) serve in the generation and maintenance of mature B-lymphocytes. Both BAFF and APRIL assemble as homotrimers that bind and activate several receptors that they partially share. However, heteromers of BAFF and APRIL that occur in patients with autoimmune diseases are incompletely characterized. The N and C termini of adjacent BAFF or APRIL monomers are spatially close and can be linked to create single-chain homo- or hetero-ligands of defined stoichiometry. Similar to APRIL, heteromers consisting of one BAFF and two APRILs (BAA) bind to the receptors B cell maturation antigen (BCMA), transmembrane activator and CAML interactor (TACI) but not to the BAFF receptor (BAFFR). Heteromers consisting of one APRIL and two BAFF (ABB) bind to TACI and BCMA and weakly to BAFFR in accordance with the analysis of the receptor interaction sites in the crystallographic structure of ABB. Receptor binding correlated with activity in reporter cell line assays specific for BAFFR, TACI, or BCMA. Single-chain BAFF (BBB) and to a lesser extent single-chain ABB, but not APRIL or single-chain BAA, rescued BAFFR-dependent B cell maturation in BAFF-deficient mice. In conclusion, BAFF-APRIL heteromers of different stoichiometries have distinct receptor-binding properties and activities. Based on the observation that heteromers are less active than BAFF, we speculate that their physiological role might be to down-regulate BAFF activity. PMID:25953898

  10. Nucleic acid-binding properties of the RRM-containing protein RDM1

    International Nuclear Information System (INIS)

    Hamimes, Samia; Bourgeon, Dominique; Stasiak, Alicja Z.; Stasiak, Andrzej; Van Dyck, Eric

    2006-01-01

    RDM1 (RAD52 Motif 1) is a vertebrate protein involved in the cellular response to the anti-cancer drug cisplatin. In addition to an RNA recognition motif, RDM1 contains a small amino acid motif, named RD motif, which it shares with the recombination and repair protein, RAD52. RDM1 binds to single- and double-stranded DNA, and recognizes DNA distortions induced by cisplatin adducts in vitro. Here, we have performed an in-depth analysis of the nucleic acid-binding properties of RDM1 using gel-shift assays and electron microscopy. We show that RDM1 possesses acidic pH-dependent DNA-binding activity and that it binds RNA as well as DNA, and we present evidence from competition gel-shift experiments that RDM1 may be capable of discrimination between the two nucleic acids. Based on reported studies of RAD52, we have generated an RDM1 variant mutated in its RD motif. We find that the L 119 GF → AAA mutation affects the mode of RDM1 binding to single-stranded DNA

  11. Structural properties governing drug-plasma protein binding determined by high-performance liquid chromatography method.

    Science.gov (United States)

    Kamble, Sharad; Loadman, Paul; Abraham, Michael H; Liu, Xiangli

    2018-02-05

    The high-performance liquid chromatography (HPLC) method employing stationary phases immobilized with plasma proteins was used for this study to investigate the structural properties governing drug-plasma protein binding. A set of 65 compounds with a broad range of structural diversity (in terms of volume, hydrogen-bonding, polarity and electrostatic force) were selected for this purpose. The Abraham linear free energy relationship (LFER) analyses of the retention factors on the immobilized HSA (human serum albumin) and AGP (α 1 -acid glycoprotein) stationary phases showed that McGowan's characteristic molecular volume (V), dipolarity/polarizability (S) and hydrogen bond basicity (B) are the three significant molecular descriptors of solutes determining the interaction with immobilized plasma proteins, whereas excess molar refraction (E) is less important and hydrogen bond acidity (A) is not of statistical significance in both systems, for electrically neutral compounds. It was shown that ionised acids, as carboxylate anions, bind very strongly to the immobilized HSA stationary phase and that ionised bases, as cations bind strongly to the AGP stationary phase. This is the first time that the effect of ionised species on plasma protein binding has been determined quantitatively; the increased binding of acids to HSA is due almost entirely to acids in their ionised form. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Ion implantation to improve mechanical and electrical properties of resistive materials based on ruthenium dioxide

    International Nuclear Information System (INIS)

    Byeli, A.V.; Shykh, S.K.; Beresina, V.P.

    1996-01-01

    This paper reports the influence of ion implantation, using different chemical species, on the surface micromorphology, wear resistance, coefficient of friction and electrical resistivity, and its variation during friction for resistive materials based on ruthenium dioxide. It is demonstrated that nitrogen and hydrogen ions are the most effective for modifying surface properties. (Author)

  13. Binding energies and isomerization in metallocene ions from threshold photoelectron photoion coincidence spectroscopy.

    Science.gov (United States)

    Révész, Agnes; Szepes, László; Baer, Tomas; Sztáray, Bálint

    2010-12-22

    Metallocene ions (Cp(2)M(+), M = Cr, Co, Ni) were studied by threshold photoelectron photoion coincidence spectroscopy (TPEPICO) to investigate the mechanism, energetics, and kinetics of the ionic dissociation processes. The examined energy-selected Cp(2)M(+) ions fragment by losing the neutral cyclopentadienyl ligand. In addition, CH and C(2)H(2) losses appear as minor channels, while the cobaltocene ion also loses an H atom. A possible isomerization pathway has also been observed for Cp(2)Ni(+), yielding a complex with pentafulvalene (C(10)H(8)) with a loss of H(2). In order to determine the 0 K appearance energies for the CpM(+) fragment ions, the asymmetric time-of-flight peak shapes and the breakdown diagrams of the energy-selected metallocene ions were modeled by both the rigid activated complex (RAC) Rice-Ramsperger-Kassel-Marcus (RRKM) theory and the simplified statistical adiabatic channel model (SSACM). The following appearance energies were obtained with SSACM, which is more reliable for loose transition states: 10.57 ± 0.14, 11.01 ± 0.13, and 10.18 ± 0.13 eV for M = Cr, Co, and Ni, respectively. These values combined with the corresponding adiabatic ionization energies yield M-Cp bond dissociation energies in Cp(2)M(+) ions of 5.04 ± 0.16, 5.77 ± 0.15, and 3.96 ± 0.15 eV. Density functional calculations at the B3LYP/6-311G(d,p) level of theory were used to determine the structures of these complexes and to provide parameters necessary for the analysis of the experimental data. The trends in the M-Cp bond energies can be related to the electronic structures of the metallocene ions based on a simple molecular orbital picture.

  14. Gas phase noncovalent protein complexes that retain solution binding properties: Binding of xylobiose inhibitors to the beta-1, 4 exoglucanase from cellulomonas fimi.

    Science.gov (United States)

    Tesić, Milica; Wicki, Jacqueline; Poon, David K Y; Withers, Stephen G; Douglas, Donald J

    2007-01-01

    Tandem mass spectrometry has been used to compare gas-phase and solution binding of three small-molecule inhibitors to the wild type and three mutant forms of the catalytic domain of Cex, an enzyme that hydrolyses xylan and xylo-oligosaccharides. The inhibitors, xylobiosyl-deoxynojirimycin, xylobiosyl-isofagomine lactam, and xylobiosyl-isofagomine consist of a common distal xylose linked to different proximal aza-sugars. The three mutant forms of the enzyme contain the substitutions Asn44Ala, Gln87Met, and Gln87Tyr that alter the binding interactions between Cex and the distal sugar of each inhibitor. An electrospray ionization (ESI) triple quadrupole MS/MS system is used to measure the internal energies, DeltaE(int), that must be added to gas-phase ions to cause dissociation of the noncovalent enzyme-inhibitor complexes. Collision cross sections of ions of the apo-enzyme and enzyme-inhibitor complexes, which are required for the calculations of DeltaE(int), have also been measured. The results show that, in the gas phase, enzyme-inhibitor complexes have more compact, folded conformations than the corresponding apo-enzyme ions. With the mutant enzymes, the effects of substituting a single residue can be detected. The energies required to dissociate the gas-phase complexes follow the same trend as the values of DeltaG0 for dissociation of the complexes in solution. This trend is observed both with different inhibitors, which probe binding to the proximal sugar, and with mutants of Cex, which probe binding to the distal sugar. Thus the gas-phase complexes appear to retain much of their solution binding characteristics.

  15. 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)

  16. Differences in both glycosylation and binding properties between rat and mouse liver prolactin receptors.

    Science.gov (United States)

    Lascols, O; Cherqui, G; Munier, A; Picard, J; Capeau, J

    1994-05-01

    To investigate whether glycanic chains of prolactin receptors (PRL-R) play a role in hormone binding activity, comparison was made of rat and mouse liver solubilized receptors with respect to both their affinity for the hormone and their glycosylation properties. As compared with rat receptors, mouse receptors exhibited a 2-fold higher affinity for human growth hormone (hGH), the hormone being bound by both tissues with a lactogenic specificity. Along with this increased affinity, mouse receptors had a 2 lower M(r) relative to rat receptors (62 kDa versus 64 kDa as measured on hGH cross-linked receptors). These differences could be ascribed to different glycosylation properties of the receptors from the two species, as supported by the followings. 1) After treatment with endoglycosidase F (endo F), rat and mouse PRL-R no longer exhibited any difference in their M(r) (54 kDa for both cross-linked receptors). 2) Neuraminidase treatment increased by 37% the binding of hGH to mouse receptors, but was ineffective on the hormone-binding to rat receptors. Conversely, wheat germ agglutinin (WGA), another sialic acid specific probe, decreased hGH binding to rat receptors by 25%, but had no effect on this process for mouse ones. 3) Marked differences were observed in the recoveries of rat and mouse hormone-receptor (HR) complexes from ricin-1- (RCA1-), concanavalin A- (ConA-) and WGA-immobilized lectins. These differences were reduced (RCA1 and ConA) or abolished (WGA) after rat and mouse receptor desialylation by neuraminidase, a treatment which decreased the M(r) of both receptors by 2 kDa. Taken together, these results strongly suggest that the PRL-R from rat and mouse liver contain biantennary N-linked oligosaccharidic chains with distinct type of sialylation, which may account for their differential hormone-binding affinities.

  17. Effects of copper ions on DNA binding and cytotoxic activity of a chiral salicylidene Schiff base.

    Science.gov (United States)

    Fei, Bao-Li; Xu, Wu-Shuang; Tao, Hui-Wen; Li, Wen; Zhang, Yu; Long, Jian-Ying; Liu, Qing-Bo; Xia, Bing; Sun, Wei-Yin

    2014-03-05

    A chiral Schiff base HL N-(5-bromo-salicylaldehyde)dehydroabietylamine (1) and its chiral dinuclear copper complex [Cu2L4]·4DMF (2) have been synthesized and fully characterized. The interactions of 1 and 2 with salmon sperm DNA have been investigated by viscosity measurements, UV, fluorescence and circular dichroism (CD) spectroscopic techniques. Absorption spectral (Kb=3.30 × 10(5)M(-)(1) (1), 6.63 × 10(5)M(-)(1)(2)), emission spectral (Ksv=7.58 × 10(3)M(-)(1) (1), 1.52 × 10(4)M(-)(1) (2)), and viscosity measurements reveal that 1 and 2 interact with DNA through intercalation and 2 exhibits a higher DNA binding ability. In addition, CD study indicates 2 cause a more evident perturbation on the base stacking and helicity of B-DNA upon binding to it. In fluorimetric studies, the enthalpy (ΔH>0) and entropy (ΔS>0) changes of the reactions between the compounds with DNA demonstrate hydrophobic interactions. 1 and 2 were also screened for their cytotoxic ability and 2 demonstrates higher growth inhibition of the selected cancer cells at concentration of 50 μM, this result is identical with their DNA binding ability order. All the experimental results show that the involvement of Cu (II) centers has some interesting effect on DNA binding ability and cytotoxicity of the chiral Schiff base. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Reflection properties of hydrogen ions at helium irradiated tungsten surfaces

    International Nuclear Information System (INIS)

    Doi, K; Tawada, Y; Kato, S; Sasao, M; Kenmotsu, T; Wada, M; Lee, H T; Ueda, Y; Tanaka, N; Kisaki, M; Nishiura, M; Matsumoto, Y; Yamaoka, H

    2016-01-01

    Nanostructured W surfaces prepared by He bombardment exhibit characteristic angular distributions of hydrogen ion reflection upon injection of 1 keV H + beam. A magnetic momentum analyzer that can move in the vacuum chamber has measured the angular dependence of the intensity and the energy of reflected ions. Broader angular distributions were observed for He-irradiated tungsten samples compared with that of the intrinsic polycrystalline W. Both intensity and energy of reflected ions decreased in the following order: the polycrystalline W, the He-bubble containing W, and the fuzz W. Classical trajectory Monte Carlo simulations based on Atomic Collision in Amorphous Target code suggests that lower atom density near the surface can make the reflection coefficients lower due to increasing number of collisions. (paper)

  19. The Survey of Sorption Ion-Exchange Properties of Paleozoic Zeolites Before and After Regeneration

    Science.gov (United States)

    Valieva, I. R.; Germanova, T. V.; Nefedov, V. A.

    2018-01-01

    The presented results of experimental studies on the removal of iron ions, manganese, ammonium nitrogen, strontium and cadmium from aqueous solutions by the paleozoic zeolites of the Urals in dynamic conditions. Experiments have been carried out on the regeneration of mineral zeolite filters in order to restore the sorption properties of the explored minerals. The results of the researches show that ion-exchange minerals can be used as highly effective sorbents, with a large ion-exchange capacity and a multifaceted ability to restore the original properties.

  20. Tribological properties and surface structures of ion implanted 9Cr18Mo stainless steels

    Science.gov (United States)

    Fengbin, Liu; Guohao, Fu; Yan, Cui; Qiguo, Sun; Min, Qu; Yi, Sun

    2013-07-01

    The polished quenched-and-tempered 9Cr18Mo steels were implanted with N ions and Ti ions respectively at a fluence of 2 × 1017 ions/cm2. The mechanical properties of the samples were investigated by using nanoindenter and tribometer. The results showed that the ion implantations would improve the nanohardness and tribological property, especially N ion implantation. The surface analysis of the implanted samples was carried out by using XRD, XPS and AES. It indicated that the surface exhibits graded layers after ion implantation. For N ion implantation, the surface about 20 nm thickness is mainly composed of supersaturated interstitial N solid solution, oxynitrides, CrxCy phase and metal nitrides. In the subsurface region, the metal nitrides dominate and the other phases disappear. For Ti ion implantation, the surface of about 20 nm thickness is mainly composed of titanium oxides and carbon amorphous phase, the interstitial solid solution of Ti in Fe is abundant in the subsurface region. The surface components and structures have significant contributions to the improved mechanical properties.

  1. Tribological properties and surface structures of ion implanted 9Cr18Mo stainless steels

    International Nuclear Information System (INIS)

    Fengbin, Liu; Guohao, Fu; Yan, Cui; Qiguo, Sun; Min, Qu; Yi, Sun

    2013-01-01

    The polished quenched-and-tempered 9Cr18Mo steels were implanted with N ions and Ti ions respectively at a fluence of 2 × 10 17 ions/cm 2 . The mechanical properties of the samples were investigated by using nanoindenter and tribometer. The results showed that the ion implantations would improve the nanohardness and tribological property, especially N ion implantation. The surface analysis of the implanted samples was carried out by using XRD, XPS and AES. It indicated that the surface exhibits graded layers after ion implantation. For N ion implantation, the surface about 20 nm thickness is mainly composed of supersaturated interstitial N solid solution, oxynitrides, Cr x C y phase and metal nitrides. In the subsurface region, the metal nitrides dominate and the other phases disappear. For Ti ion implantation, the surface of about 20 nm thickness is mainly composed of titanium oxides and carbon amorphous phase, the interstitial solid solution of Ti in Fe is abundant in the subsurface region. The surface components and structures have significant contributions to the improved mechanical properties

  2. K+ congeners that do not compromise Na+ activation of the Na+,K+-ATPase: hydration of the ion binding cavity likely controls ion selectivity.

    Science.gov (United States)

    Mahmmoud, Yasser A; Kopec, Wojciech; Khandelia, Himanshu

    2015-02-06

    The Na(+),K(+)-ATPase is essential for ionic homeostasis in animal cells. The dephosphoenzyme contains Na(+) selective inward facing sites, whereas the phosphoenzyme contains K(+) selective outward facing sites. Under normal physiological conditions, K(+) inhibits cytoplasmic Na(+) activation of the enzyme. Acetamidinium (Acet(+)) and formamidinium (Form(+)) have been shown to permeate the pump through the outward facing sites. Here, we show that these cations, unlike K(+), are unable to enter the inward facing sites in the dephosphorylated enzyme. Consistently, the organic cations exhibited little to no antagonism to cytoplasmic Na(+) activation. Na(+),K(+)-ATPase structures revealed a previously undescribed rotamer transition of the hydroxymethyl side chain of the absolutely conserved Thr(772) of the α-subunit. The side chain contributes its hydroxyl to Na(+) in site I in the E1 form and rotates to contribute its methyl group toward K(+) in the E2 form. Molecular dynamics simulations to the E1·AlF4 (-)·ADP·3Na(+) structure indicated that 1) bound organic cations differentially distorted the ion binding sites, 2) the hydroxymethyl of Thr(772) rotates to stabilize bound Form(+) through water molecules, and 3) the rotamer transition is mediated by water traffic into the ion binding cavity. Accordingly, dehydration induced by osmotic stress enhanced the interaction of the congeners with the outward facing sites and profoundly modified the organization of membrane domains of the α-subunit. These results assign a catalytic role for water in pump function, and shed light on a backbone-independent but a conformation-dependent switch between H-bond and dispersion contact as part of the catalytic mechanism of the Na(+),K(+)-ATPase. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  3. Wear properties of metal ion implanted 4140 steel

    International Nuclear Information System (INIS)

    Evans, P.J.; Paoloni, F.J.

    1994-01-01

    AISI type 4140 (high tensile) steel has been implanted with tungsten and titanium using a metal vapour vacuum arc ion source. Doses in the range (1-5)x10 16 ionscm -2 were implanted to a depth of approximately 30nm. The relative wear resistance between non-implanted and implanted specimens has been estimated using pin-on-disc and abrasive wear tests. Implantation of titanium decreased the area of wear tracks by a factor of 5 over unimplanted steel. In some cases the steel was also hardened by a liquid carburization treatment before implantation. Abrasion tests revealed a further improvement in wear resistance on this material following ion irradiation. ((orig.))

  4. Influence of ion irradiation induced defects on mechanical properties of copper nanowires

    International Nuclear Information System (INIS)

    Li, Weina; Sun, Lixin; Xue, Jianming; Wang, Jianxiang; Duan, Huiling

    2013-01-01

    The mechanical properties of copper nanowires irradiated with energetic ions have been investigated by using molecular dynamics simulations. The Cu ions with energies ranging from 0.2 to 8.0 keV are used in our simulation, and both the elastic properties and yields under tension and compression are analyzed. The results show that two kinds of defects, namely point defects and stacking faults, appear in the irradiated nanowires depending on the incident ion energy. The Young modulus is significantly reduced by the ion irradiation, and the reduction magnitude depends on the vacancy number, which is determined by the ion energy. Moreover, the irradiated nanowires yield at a smaller strain, compared with the unirradiated nanowire. The mechanism for these changes are also discussed

  5. Ion adsorption on oxides : surface charge formation and cadmium binding on rutile and hematite

    NARCIS (Netherlands)

    Fokkink, L.G.J.

    1987-01-01

    The adsorption of charge-determining (H +and OH -) and cadmium ions on rutile (TiO 2 ) and hematite (α-Fe

  6. Binding of nickel and zinc ions with activated carbon prepared from ...

    African Journals Online (AJOL)

    Activated carbon was prepared from sugar cane fibre by carbonizing at 500 oC for 30 minutes. This was followed by activation with ammonium chloride. The activated carbon was characterised in terms of pH, bulk density, ash content, surface area and surface charge. Equilibrium sorption of nickel and zinc ions by the ...

  7. Investigation of the lithium ion mobility in cyclic model compounds and their ion conduction properties

    Energy Technology Data Exchange (ETDEWEB)

    Thielen, Joerg

    2011-07-27

    In view of both, energy density and energy drain, rechargeable lithium ion batteries outperform other present accumulator systems. However, despite great efforts over the last decades, the ideal electrolyte in terms of key characteristics such as capacity, cycle life, and most important reliable safety, has not yet been identified. Steps ahead in lithium ion battery technology require a fundamental understanding of lithium ion transport, salt association, and ion solvation within the electrolyte. Indeed, well defined model compounds allow for systematic studies of molecular ion transport. Thus, in the present work, based on the concept of immobilizing ion solvents, three main series with a cyclotriphosphazene (CTP), hexaphenylbenzene (HBP), and tetramethylcyclotetrasiloxane (TMS) scaffold were prepared. Lithium ion solvents, among others ethylene carbonate (EC), which has proven to fulfill together with propylene carbonate safety and market concerns in commercial lithium ion batteries, were attached to the different cores via alkyl spacers of variable length. All model compounds were fully characterized, pure and thermally stable up to at least 235 C, covering the requested broad range of glass transition temperatures from -78.1 C up to +6.2 C. While the CTP models tend to rearrange at elevated temperatures over time, which questions the general stability of alkoxide related (poly)phosphazenes, both, the HPB and CTP based models show no evidence of core stacking. In particular the CTP derivatives represent good solvents for various lithium salts, exhibiting no significant differences in the ionic conductivity {sigma}{sub dc} and thus indicating comparable salt dissociation and rather independent motion of cations and ions. In general, temperature-dependent bulk ionic conductivities investigated via impedance spectroscopy follow a William-Landel-Ferry (WLF) type behavior. Modifications of the alkyl spacer length were shown to influence ionic conductivities only in

  8. Electrochemical and SEM properties of Co ion in hexagonal ...

    Indian Academy of Sciences (India)

    Administrator

    ion to Co metal. The hexagonal (H1) lyotropic liquid crystalline phases of P84 surfactant have been used to template the electrochemical deposition of nanostructured cobalt films as well as its uses as background electrolyte. Elec- trochemical studies show that these films have very high surface areas, which reveals that the ...

  9. Structural and electrical properties of swift heavy ion beam irradiated ...

    Indian Academy of Sciences (India)

    Unknown

    at the Co/Si interface for investigation of ion beam mixing at various doses: 8 × 1012, 5 × 1013 and 1 × 1014 cm–2. Formation of different phases of cobalt silicide is identified by the grazing incidence X-ray diffraction. (GIXRD) technique, which shows enhancement of intermixing and silicide formation as a result of irradiation ...

  10. 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

  11. Effects of soil salinity on the content, composition, and ion binding capacity of glomalin-related soil protein (GRSP).

    Science.gov (United States)

    Zhang, Zhonghua; Wang, Qiong; Wang, Hua; Nie, Siming; Liang, Zhengwei

    2017-03-01

    Soil aggregation, an ecosystem function correlated with the concentration of glomalin-related soil protein (GRSP), is highly disturbed in saline soil. However, few studies have focused on differences in amount, composition, and ion binding capacity of GRSP in typical sodic-saline soils. In this study, a field study was performed in Songnen Plain. Combined indicators of soil salinity (Q value) were significant negatively correlated with GRSP concentration by Principal Component Analysis. Multiple linear regression models showed that soil salinity might account for 46%, 25% and 44% variation in total GRSP (T-GRSP), easily-extractable GRSP (EE-GRSP) and difficultly-extractable GRSP (DE-GRSP), respectively. Soil bulk density had most important impact on GRSP concentration, followed by the pH, soil EC had the weak influence. Comparative analysis was carried out between low-salinity and high-salinity soil. Purified T-GRSP of high-saline soil contained higher N content (13.13%), lower C content (43.41%) and lower functional groups relative content (e.g. CO and SiOSi). Purified T-GRSP of high-salinity soil had a greater binding capacity with calcium and phosphorus, the binding capacity could compensate the GRSP loss about 29.8% and 14.1%, respectively. Our findings suggested that sodic salinization of the soil led to a decrease in GRSP concentration and a change in the component percentages. This change in composition might be related to adaptation of fungi-plant systems to varied environments. The calcium and phosphorus binding capacity had a positive dependent of soil salinization, which was possible to develop ecological management or recovery technology in the future. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. [Effect of synthesis conditions on the morphology and binding property of (-)-ephedrine imprinted polymers].

    Science.gov (United States)

    Dong, Xiangchao; Wang, Wei; Wang, Haibo; Sun, Hui; Li, Yan; Wang, Ning; Liu, Shuxia

    2005-01-01

    Contribution of the synthesis parameters to the properties of the polymer is one of the major interests in the study of molecular imprinting technology. To have a better understanding of the influence of polymerization conditions on the polymer morphology and binding property, (-)-ephedrine imprinted polymers synthesized with different cross-linkers (ethylene glycol dimethacrylate (EDMA) and pentaerythritol triacrylate (PETRA)), porogens (chloroform and acetonitrile) and monomer concentrations were compared. The resulting polymers were characterized with their pore structure, texture and binding affinities by BET and equilibrium adsorption method. The selectivity of the polymer was evaluated with chromatographic analysis. The results suggested that CHCl3 is a good solvent for methacrylic acid (MAA)-EDMA and MAA-PETRA polymer chains which resulted in smaller polymer surface area. Quantitative determinations of the carboxyl groups in the polymer indicated that polymers synthesized with the same pre-polymerization composition except porogen can have different concentrations of functional monomer in their structures. The study showed that porogen in the molecular imprinting synthesis can affect the morphology and composition of the polymers, which influence the binding affinity of the polymers.

  13. All three Ca[superscript 2+]-binding loops of photoproteins bind calcium ions: The crystal structures of calcium-loaded apo-aequorin and apo-obelin

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Lu; Vysotski, Eugene S.; Markova, Svetlana V.; Liu, Zhi-Jie; Lee, John; Rose, John; Wang, Bi-Cheng (Georgia)

    2010-07-13

    The crystal structures of calcium-loaded apoaequorin and apo-obelin have been determined at resolutions 1.7 {angstrom} and 2.2 {angstrom}, respectively. A calcium ion is observed in each of the three EF-hand loops that have the canonical calcium-binding sequence, and each is coordinated in the characteristic pentagonal bipyramidal configuration. The calcium-loaded apo-proteins retain the same compact scaffold and overall fold as the unreacted photoproteins containing the bound substrate, 2-hydroperoxycoelenterazine, and also the same as the Ca{sup 2+}-discharged obelin bound with the product, coelenteramide. Nevertheless, there are easily discerned shifts in both helix and loop regions, and the shifts are not the same between the two proteins. It is suggested that these subtle shifts are the basis of the ability of these photoproteins to sense Ca{sup 2+} concentration transients and to produce their bioluminescence response on the millisecond timescale. A mechanism of intrastructural transmission of the calcium signal is proposed.

  14. Measurement of Cadmium Ion in the Presence of Metal-Binding Biopolymers in Aqueous Sample

    Directory of Open Access Journals (Sweden)

    Jian Pu

    2013-01-01

    Full Text Available In aqueous environment, water-soluble polymers are effectively used to separate free metal ions from metal-polymer complexes. The feasibilities of four different analytical techniques, cadmium ion-selective electrode, dialysis sack, chelate disk cartridge, and ultrafiltration, in distinguishing biopolymer-bound and nonbound cadmium in aqueous samples were investigated. And two different biopolymers were used, including bovine serum albumin (BSA and biopolymer solution extracted from cultivated activated sludge (ASBP. The ISE method requires relatively large amount of sample and contaminates sample during the pretreatment. After the long reaction time of dialysis, the equilibrium of cadmium in the dialysis sack would be shifted. Due to the sample nature, chelate disk cartridge could not filter within recommended time, which makes it unavailable for biopolymer use. Ultrafiltration method would not experience the difficulties mentioned above. Ultrafiltration method measuring both weakly and strongly bound cadmium was included in nominally biopolymer-cadmium complex. It had significant correlation with the Ion-selective electrode (ISE method (R2=0.989 for BSA, 0.985 for ASBP.

  15. Discovery of a novel selective PPARγ ligand with partial agonist binding properties by integrated in silico / in vitro work flow

    DEFF Research Database (Denmark)

    Kouskoumvekaki, Irene; Petersen, Rasmus K.; Fratev, Filip Filipov

    2013-01-01

    agonist binding properties. Toward this end we applied an integrated in silico/in vitro workflow, based on pharmacophore-and structure-based virtual screening of the ZINC library, coupled with competitive binding and transactivation assays, and adipocyte differentiation and gene expression studies. Hit...

  16. NMR characterization of the DNA binding properties of a novel Hoechst 33258 analogue peptide building block

    DEFF Research Database (Denmark)

    Bunkenborg, Jakob; Behrens, Carsten; Jacobsen, Jens Peter

    2002-01-01

    A novel aryl-bis-benzimidazole amino acid analogue of the DNA-binding compound Hoechst 33258 has recently been designed for incorporation in peptide combinatorial libraries by replacing the N-methylpiperazine group with a carboxyl group and the hydroxy group with an amino-methyl group. The DNA......-binding properties of the aryl-bis-benzimidazole monomer with the C-terminus derivatized with 3-(dimethylamino)-propylamine has been investigated in this paper by (1)H NMR studies of two different complexes with two different DNA sequences: A(5) d(5'-GCCA(5)CG-3'):d(5'-CGT(5)GGC-3') and A(3)T(3) d(5'-CGA(3)T(3)CG-3...

  17. Theoretical and Experimental: The Synthetic and Anion-Binding Properties of Tripodal Salicylaldehyde Derivatives

    Directory of Open Access Journals (Sweden)

    Zhong-Jie Xu

    2016-05-01

    Full Text Available A series of colorimetric anion probes 1–6 containing OH and NO2 groups were synthesized, and their recognition properties toward various anions were investigated by visual observation, ultraviolet–visible spectroscopy, fluorescence, 1H nuclear magnetic resonance titration spectra and theoretical investigation. Nanomaterials of three compounds 2–4 were prepared successfully. Four compounds 3–6 that contain electron-withdrawing substituents showed a high binding ability for AcO−. The host–guest complex formed through a 1:1 binding ratio, and color changes were detectable during the recognition process. Theoretical investigation analysis revealed that an intramolecular hydrogen bond existed in the structures of compounds and the roles of molecular frontier orbitals in molecular interplay. These studies suggested that this series of compounds could be used as colorimetric probes to detect of AcO−.

  18. Variation in the electrical properties of ion beam irradiated cadmium selenate nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Chauhan, R. P., E-mail: chauhanrpc@gmail.com; Narula, Chetna; Panchal, Suresh [Department of Physics, National Institute of Technology, Kurukshetra-136119 (India)

    2016-05-23

    The key feature of nanowires consists in the pronounced change in properties induced by the low dimensionality and high surface to volume ratio. The study of electrical transport properties of nanowires is important for electronic device applications. Energetic ions create changes, which may be structural or chemical, in a material along their track and these changes might alter the material’s properties. The demand of the modern technology is to understand the effect of radiation on the different properties of the material for its further applications. The present study is on the high-energy Nickel ion beam (160 MeV Ni{sup +12}) induced modifications in the electrical and structural properties of the cadmium selenate nanowires. An enhancement in the electrical conductivity of irradiated wires was observed as the ion fluence was increased especially in the forward I–V characteristics. The creation of defects by ion irradiation and the synergy of the ions during their passage in the sample with the intrinsic charge carriers may be responsible for the variation in the transport properties of the irradiated nanowires.

  19. Scaling properties in single collision model of light ion reflection

    International Nuclear Information System (INIS)

    Vukanic, J.; Simovic, R.

    2004-01-01

    Light ion reflection from solids in the keV energy region has been studied within the single collision model. Particle and energy reflection coefficients as functions of the scaled transport cross section have been calculated numerically by utilizing the exact scattering function for the Kr-C potential and analytically with an effective power approximation for the same potential. The obtained analytical formulae approximate very accurately to the numerical results. Comparison of the calculated reflection coefficients with the experimental data and computer simulations for different light ion-heavy target combinations shows that the scaled transport cross section remains a convenient scaling parameter in the single collision domain, as adopted previously in multiple collision theory

  20. Atomic properties of actinide ions with particle-hole configurations

    Science.gov (United States)

    Safronova, M. S.; Safronova, U. I.; Kozlov, M. G.

    2018-01-01

    We study the effects of higher-order electronic correlations in the systems with particle-hole excited states using a relativistic hybrid method that combines configuration interaction and linearized coupled-cluster approaches. We find the configuration interaction part of the calculation sufficiently complete for eight electrons while maintaining good quality of the effective coupled-cluster potential for the core. Excellent agreement with experiment was demonstrated for a test case of La3 +. We apply our method for homolog actinide ions Th4 + and U6 + which are of experimental interest due to a puzzle associated with the resonant excitation Stark ionization spectroscopy method. These ions are also of interest to actinide chemistry.

  1. Stoichiometry of Heteromeric BAFF and APRIL Cytokines Dictates Their Receptor Binding and Signaling Properties.

    Science.gov (United States)

    Schuepbach-Mallepell, Sonia; Das, Dolon; Willen, Laure; Vigolo, Michele; Tardivel, Aubry; Lebon, Luc; Kowalczyk-Quintas, Christine; Nys, Josquin; Smulski, Cristian; Zheng, Timothy S; Maskos, Klaus; Lammens, Alfred; Jiang, Xuliang; Hess, Henry; Tan, Seng-Lai; Schneider, Pascal

    2015-06-26

    The closely related TNF family ligands B cell activation factor (BAFF) and a proliferation-inducing ligand (APRIL) serve in the generation and maintenance of mature B-lymphocytes. Both BAFF and APRIL assemble as homotrimers that bind and activate several receptors that they partially share. However, heteromers of BAFF and APRIL that occur in patients with autoimmune diseases are incompletely characterized. The N and C termini of adjacent BAFF or APRIL monomers are spatially close and can be linked to create single-chain homo- or hetero-ligands of defined stoichiometry. Similar to APRIL, heteromers consisting of one BAFF and two APRILs (BAA) bind to the receptors B cell maturation antigen (BCMA), transmembrane activator and CAML interactor (TACI) but not to the BAFF receptor (BAFFR). Heteromers consisting of one APRIL and two BAFF (ABB) bind to TACI and BCMA and weakly to BAFFR in accordance with the analysis of the receptor interaction sites in the crystallographic structure of ABB. Receptor binding correlated with activity in reporter cell line assays specific for BAFFR, TACI, or BCMA. Single-chain BAFF (BBB) and to a lesser extent single-chain ABB, but not APRIL or single-chain BAA, rescued BAFFR-dependent B cell maturation in BAFF-deficient mice. In conclusion, BAFF-APRIL heteromers of different stoichiometries have distinct receptor-binding properties and activities. Based on the observation that heteromers are less active than BAFF, we speculate that their physiological role might be to down-regulate BAFF activity. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  2. Nano mechanical properties of carbon films modified by ion radiation

    International Nuclear Information System (INIS)

    Foerster, C.E.; Serbena, F.C.; Lepienski, C.M.; Odo, G.Y.; Zawislak, F.C.; Lopes, J.M.J.; Baptista, D.L.; Garcia, I.T.S.

    2000-01-01

    In present work it is measured hardness, Young modulus and friction coefficient values for different types of carbon films. These films were submitted to different ion bombardment conditions (energy and fluencies). The mechanical behavior was obtained by nano indentation technique and analyzed by the Oliver/Pharr method. For friction coefficient determination the nano scratch procedure is used. Pristine C 60 films (fullerenes) has a hardness of 0.33 GPa. After irradiation with different ions (He, N and Bi), the hardness raise to about 14 GPa and the Young modulus change from 20 to about 200 GPa. For photoresist film AZ-1350J irradiation with Ar and He change the hardness from 0.4 to about 14 GPa and the Young modulus raise from 4 to 80 GPa. In a-C-H the hardness change from 3.5 to 11 GPa when submitted to N irradiation. In PPA films the hardness value raise from 0.5 to 11 GPa after irradiation with Ar. These mechanical and tribological results were analyzed in terms of deposited energy by the ion irradiation and compared with those presented in the literature. (author)

  3. Nonlinear optical properties of Sn+ ion-implanted silica glass

    International Nuclear Information System (INIS)

    Takeda, Y.; Hioki, T.; Motohiro, T.; Noda, S.; Kurauchi, T.

    1994-01-01

    The absolute value of the third-order nonlinear optical susceptibility, vertical stroke χ (3) vertical stroke , of Sn + ion-implanted silica glass was found to be similar 10 -6 esu. This value is as large as those reported for semiconductor-doped glasses. Silica glass substrates were implanted with Sn + ions at an acceleration energy of 400 keV to a dose of 2x10 17 ions/cm 2 at room temperature. Metallic Sn microcrystallites of 4-20 nm in diameter were found to be embedded in the silica glass matrix. The average volume fraction of the Sn microcrystallites was evaluated to be 28%. vertical stroke χ (3) vertical stroke and the imaginary part of the dielectric function, Im ε, had peaks at the same wavelength of 500 nm owing to surface plasmon resonance. The peak width of vertical stroke χ (3) vertical stroke was nearly half of that of Im ε, which can be explained by an effective medium theory. ((orig.))

  4. Electrical properties of irradiated PVA film by using ion/electron beam

    Science.gov (United States)

    Abdelrahman, M. M.; Osman, M.; Hashhash, A.

    2016-02-01

    Ion/electron beam bombardment has shown great potential for improving the surface properties of polymers. Low-energy charged (ion/electron) beam irradiation of polymers is a good technique to modify properties such as electrical conductivity, structural behavior, and their mechanical properties. This paper reports on the effect of nitrogen and electron beam irradiation on the electrical properties of polyvinyl alcohol (PVA) films. PVA films of 4 mm were exposed to a charged (ion/electron) beam for different treatment times (15, 30, and 60 minutes); the beam was produced from a dual beam source using nitrogen gas with the other ion/electron source parameters optimized. The dielectric loss tangent tan δ , electrical conductivity σ , and dielectric constant ɛ ^' } in the frequency range 100 Hz-100 kHz were measured at room temperature. The variation of dielectric constant and loss tangent as a function of frequency was also studied at room temperature. The dielectric constant was found to be strongly dependent on frequency for both ion and electron beam irradiation doses. The real (ɛ ^' }) and imaginary (ɛ ^' ' }) parts of the dielectric constant decreased with frequency for all irradiated and non-irradiated samples. The AC conductivity showed an increase with frequency for all samples under the influence of both ion and electron irradiation for different times. Photoluminescence (PL) spectral changes were also studied. The formation of clusters and defects (which serve as non-radiative centers on the polymer surface) is confirmed by the decrease in the PL intensity.

  5. Inverse gas chromatography as a method for determination of surface properties of binding materials

    Science.gov (United States)

    Yu, Jihai; Lu, Xiaolei; Yang, Chunxia; Du, Baoli; Wang, Shuxian; Ye, Zhengmao

    2017-09-01

    Inverse gas chromatography (IGC) is a promising measurement technique for investigating the surface properties of binding materials, which are the major influence element for the adsorption performance of superplasticizer. In this work, using the IGC method, blast furnace slag (BFS), sulphoaluminate cement (SAC) and portland cement (P·O) are employed to systematically evaluate the corresponding dispersive component (γsd), specific surface free energy (γsab), and acid-base properties. The obtained results show that γsd contributes to a major section of the surface free energy in the three binding materials, suggesting they are of a relatively low polarity. Compared to the two kinds of cements, the BFS possesses the highest dispersive and specific surface free energies (the values are 45.01 mJ/m2 and 11.68 mJ/m2, respectively), and also exhibits a wider distribution range of γsd, indicating their surfaces are heterogeneous. For acid-base properties, the results indicate the surfaces of three samples are basic in nature. In addition, the adsorption investigation shows that per unit surface of BFS adsorbs the most superplasticizer molecules, which indicates the higher surface free energies is beneficial to the superplasticizer adsorption.

  6. Ion-ion correlation, solvent excluded volume and pH effects on physicochemical properties of spherical oxide nanoparticles.

    Science.gov (United States)

    Ovanesyan, Zaven; Aljzmi, Amal; Almusaynid, Manal; Khan, Asrar; Valderrama, Esteban; Nash, Kelly L; Marucho, Marcelo

    2016-01-15

    One major source of complexity in the implementation of nanoparticles in aqueous electrolytes arises from the strong influence that biological environments has on their physicochemical properties. A key parameter for understanding the molecular mechanisms governing the physicochemical properties of nanoparticles is the formation of the surface charge density. In this article, we present an efficient and accurate approach that combines a recently introduced classical solvation density functional theory for spherical electrical double layers with a surface complexation model to account for ion-ion correlation and excluded volume effects on the surface titration of spherical nanoparticles. We apply the proposed computational approach to account for the charge-regulated mechanisms on the surface chemistry of spherical silica (SiO2) nanoparticles. We analyze the effects of the nanoparticle size, as well as pH level and electrolyte concentration of the aqueous solution on the nanoparticle's surface charge density and Zeta potential. We validate our predictions for 580Å and 200Å nanoparticles immersed in acid, neutral and alkaline mono-valent aqueous electrolyte solutions against experimental data. Our results on mono-valent electrolyte show that the excluded volume and ion-ion correlations contribute significantly to the surface charge density and Zeta potential of the nanoparticle at high electrolyte concentration and pH levels, where the solvent crowding effects and electrostatic screening have shown a profound influence on the protonation/deprotonation reactions at the liquid/solute interface. The success of this approach in describing physicochemical properties of silica nanoparticles supports its broader application to study other spherical metal oxide nanoparticles. Copyright © 2015 Elsevier Inc. All rights reserved.

  7. Fluorescence properties of valence-controlled Eu2+ and Mn2+ ions in aluminosilicate glasses

    International Nuclear Information System (INIS)

    Van Tuyen, Ho; Nonaka, Takamasa; Yamanaka, Ken-ichi; Chau, Pham Minh; Quy Hai, Nguyen Thi; Quang, Vu Xuan; Nogami, Masayuki

    2017-01-01

    Controlling of valence states of metal ions doped in glasses has attracted considerable interest due to the possibility of looking toward optical applications. In this study, new Na 2 O-Al 2 O 3 -SiO 2 glasses were developed to dope Eu 2+ and Mn 2+ with well controlled valence states by heating in H 2 gas atmosphere, and the changes in the valence state of doped-ions and their fluorescence properties were investigated using visible and infrared optical absorption spectroscopies, X-ray absorption fine structure spectroscopy, and fluorescence spectroscopy. Among Eu 3+ , Mn 3+ and Mn 2+ ions incorporated in the as-prepared glasses, the Eu 3+ and Mn 3+ ions were reduced to Eu 2+ and Mn 2+ ions, respectively, by heating in H 2 gas and OH bonds were concurrently formed. The fluorescence spectra of glasses heated in H 2 exhibited broad emission bands at 450 and 630 nm wavelength, assigned to the Eu 2+ and Mn 2+ , respectively, ions, in which the fluorescence intensity at 450 nm was observed to decrease with increasing Mn 2+ ion content. The increased fluorescence intensities were analyzed as the energy transfer from Eu 2+ to Mn 2+ ions and the energy transfer efficiency was estimated with a concentration of Eu 2+ and Mn 2+ ions.

  8. Chelation Ion Exchange Properties of 2, 4-Dihydroxyacetophenone-Biuret-Formaldehyde Terpolymer Resin

    Directory of Open Access Journals (Sweden)

    Sanjiokumar S. Rahangdale

    2009-01-01

    Full Text Available The terpolymer resin 2, 4-HABF has been synthesized by the condensation of 2, 4-dihydroxyacetophenone (2, 4-HA and biuret (B with formaldehyde (F in 1:1:2 molar ratios in presence of 2 M hydrochloric acid as catalyst. UV-Visible, IR and proton NMR spectral studies have been carried out to elucidate the structure of the resin. A terpolymer (2, 4-HABF proved to be a selective chelating ion exchange polymer for certain metals. Chelating ion-exchange properties of this polymer were studied for Fe3+, Cu2+, Ni2+, Co2+, Zn2+, Cd2+ and Pb2+ ions. A batch equilibrium method was employed in the study of the selectivity of metal ion uptake involving the measurement of the distribution of a given metal ion between the polymer sample and a solution containing the metal ion. The study was carried out over a wide pH range and in media of various ionic strengths. The polymer showed highest selectivity for Fe3+, Cu2+ ions than for Ni2+, Co2+, Zn2+, Cd2+, and Pb2+ ions. Study of distribution ratio as a formation of pH indicates that the amount of metal ion taken by resin is increases with the increasing pH of the medium.

  9. Adsorption of peptides and small proteins with control access polymer permeation to affinity binding sites. Part I: Polymer permeation-immobilized metal ion affinity chromatography separation adsorbents with polyethylene glycol and immobilized metal ions.

    Science.gov (United States)

    González-Ortega, Omar; Porath, Jerker; Guzmán, Roberto

    2012-03-02

    Despite the many efforts to develop efficient protein purification techniques, the isolation of peptides and small proteins on a larger than analytical scale remains a significant challenge. Recovery of small biomolecules from diluted complex biological mixtures, such as human serum, employing porous adsorbents is a difficult task mainly due to the presence of concentrated large biomolecules that can add undesired effects in the system such as blocking of adsorbent pores, impairing diffusion of small molecules, or competition for adsorption sites. Adsorption and size exclusion chromatography (AdSEC) controlled access media, using polyethylene glycol (PEG) as a semi-permeable barrier on a polysaccharide matrix, have been developed and explored in this work to overcome such effects and to preferentially adsorb small molecules while rejecting large ones. In the first part of this work, adsorption studies were performed with small peptides and proteins from synthetic mixtures using controlled access polymer permeation adsorption (CAPPA) media created by effectively grafting PEG on an immobilized metal affinity chromatography (IMAC) agarose resin, where chelating agents and immobilized metal ions were used as the primary affinity binding sites. Synthetic mixtures consisted of bovine serum albumin (BSA) with small proteins, peptides, amino acids (such as histidine or Val⁴-Angiotensin III), and small molecules-spiked human serum. The synthesized hybrid adsorbent consisted of agarose beads modified with iminodiacetic (IDA) groups, loaded with immobilized Cu(II) ions, and PEG. These CAPPA media with grafted PEG on the interior and exterior surfaces of the agarose matrix were effective in rejecting high molecular weight proteins. Different PEG grafting densities and PEG of different molecular weight were tested to determine their effect in rejecting and controlling adsorbent permeation properties. Low grafting density of high molecular weight PEG was found to be as

  10. Synthesis and Ion-Exchange Properties of Graphene Th(IV) Phosphate Composite Cation Exchanger: Its Applications in the Selective Separation of Lead Metal Ions.

    Science.gov (United States)

    Rangreez, Tauseef Ahmad; Asiri, Abdullah M; Alhogbi, Basma G; Naushad, Mu

    2017-07-24

    In this study, graphene Th(IV) phosphate was prepared by sol-gel precipitation method. The ion-exchange behavior of this cation-exchanger was studied by investigating properties like ion-exchange capacity for various metal ions, the effect of eluent concentration, elution behavior, and thermal effect on ion-exchange capacity (IEC). Several physicochemical properties as Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD) study, thermal studies, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) studies were also carried out. The material possessed an IEC of 1.56 meq·dry·g -1 of the exchanger and was found to be nano-composite. The selectivity studies showed that the material is selective towards Pb(II) ions. The selectivity of this cation-exchanger was demonstrated in the binary separation of Pb(II) ions from mixture with other metal ions. The recovery was found to be both quantitative and reproducible.

  11. Ion bombardment during thin film deposition and its influence on mechanical and chemical surface properties

    Science.gov (United States)

    Wolf, G. K.; Ensinger, W.

    1991-07-01

    Directed energy in the form of energetic ion beams is an excellent tool for the modification of thin film and interface properties. The easy control of ion beam parameters causes the high flexibility of the technique. The influence of ion bombardment during deposition of thin films and coatings (IBAD) on their mechanical and chemical behaviour is reviewed in this article. Firstly the controlled production of IBAD films or multilayers with well defined composition is described. Secondly the influence of ion bombardment on selected properties is considered. Adhesion, stress and structure or texture and their dependence on process parameters are discussed. Thirdly the role of adhesion, stress and porosity of films for their use for corrosion and oxidation protection is treated. Finally in the conclusion an attempt is made to define the present status of IBAD techniques compared with other PVD processes.

  12. The effect of organic ion-exchange resin on properties of heterogeneous ion-exchange membranes

    Czech Academy of Sciences Publication Activity Database

    Křivčík, J.; Vladařová, J.; Hadrava, J.; Černín, A.; Brožová, Libuše

    2010-01-01

    Roč. 14, - (2010), s. 179-184 ISSN 1944-3994. [Membrane Science and Technology Conference of Visegrad Countries /4./ PERMEA 2009, 07.07.2009-11.07.2009] R&D Projects: GA MPO FT-TA4/116 Institutional research plan: CEZ:AV0Z40500505 Keywords : heterogeneous ion-exchange membrane * membrane modification * particle size of distribution Subject RIV: CG - Electrochemistry Impact factor: 0.752, year: 2010

  13. Modified ion exchange resins - synthesis and properties. Pt. 1

    Energy Technology Data Exchange (ETDEWEB)

    Doescher, F.; Klein, J.; Pohl, F.; Widdecke, H.

    1982-01-22

    Sulfomethylated resins are prepared by polymer analogous reactions, starting from macroporous poly(styrene-co-divinylbenzene) matrices. Different reaction paths are discussed and used in the synthesis. Sulfomethylation can be achieved by reaction of a chloromethylated resin with dimethyl sulfide and sodium sulfonate or alternatively by oxidation of polymer-bound thiol groups. Both methods give high conversions as shown by IR spectra and titration of the sulfonic acid groups. Poly(1-(4-hydroxysulfomethylphenyl)ethylene) (3) is obtained by reaction of poly(1-(4-hydroxyphenyl)ethylene) (2) resin with formaldehyde/sodium sulfonate. The thermal stability, catalytic activity, and ion exchange equilibria of the sulfomethylated resin are investigated.

  14. 160 MeV Ni{sup 12+} ion irradiation effects on the dielectric properties of polyaniline nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Hazarika, J.; Nath, Chandrani [Materials Research Laboratory, Department of Physics, Tezpur University, Tezpur 784028, Assam (India); Kumar, A., E-mail: ask@tezu.ernet.in [Materials Research Laboratory, Department of Physics, Tezpur University, Tezpur 784028, Assam (India)

    2012-10-01

    We report on the dielectric properties and a.c. conductivity studies of CSA doped polyaniline nanotubes. Nanotubes of 47-100 nm diameter, were synthesized by the self-assembly method and irradiated using Ni{sup 12+} ions of 160 MeV energy with fluences of 1 Multiplication-Sign 10{sup 10}, 5 Multiplication-Sign 10{sup 10}, 1 Multiplication-Sign 10{sup 11} and 3 Multiplication-Sign 10{sup 11} ions/cm{sup 2}. X-ray diffraction studies reveal an increase in the degree of crystallinity and consequently, the extent of order of the nanotubes with increasing fluence, but show a lower degree of crystallinity at higher fluence. The decrease in d-spacing for the (100) reflections with fluence is ascribed to the decrease in the tilt angle of the aligned polymer chains. A significant change was seen after irradiation in dielectric and electrical properties which may be correlated with the increased carrier concentration and structural modifications in the polymer films. The surface conductivity of films increases with increasing fluence, which also decreases at higher fluence. The a.c. conduction mechanism for the nanotubes could be explained in terms of correlated barrier hopping model. The existence of polarons as the major charge carriers in the present nanotube system was confirmed by the low values of polaron binding energy, found to decrease with fluence. The hopping distance increases with fluence indicating that the hopping probability increases with fluence.

  15. Optical and electrical properties of ion beam textured Kapton and Teflon

    Science.gov (United States)

    Mirtich, M. J.; Sovey, J. S.

    1977-01-01

    An electron bombardment argon ion source was used to ion etch polyimide (Kapton) and fluorinated ethylene, FEP (Teflon). Samples of polyimide and FEP were exposed to (0.5-1.0) keV Ar ions at ion current densities of (1.0-1/8) mA/sq cm for various exposure times. Changes in the optical and electrical properties of the samples were used to characterize the exposure. Spectral reflectance and transmittance measurements were made between 0.33 and 2.16 micron m using an integrating sphere after each exposure. From these measurements, values of solar absorptance were obtained. Total emittance measurements were also recorded for some samples. Surface resistivity was used to determine changes in the electrical conductivity of the etched samples. A scanning electron microscope recorded surface structure after exposure. Spectral optical data, resistivity measurements, calculated absorptance and emittance measurements are presented along with photomicrographs of the surface structure for the various exposures to Ar ions.

  16. Properties of Laser-Produced Highly Charged Heavy Ions for Direct Injection Scheme

    CERN Document Server

    Sakakibara, Kazuhiko; Hayashizaki, Noriyosu; Ito, Taku; Kashiwagi, Hirotsugu; Okamura, Masahiro

    2005-01-01

    To accelerate highly charged intense ion beam, we have developed the Direct Plasma Injection Scheme (DPIS) with laser ion source. In this scheme an ion beam from a laser ion source is injected directly to a RFQ linac without a low energy beam transport (LEBT) and the beam loss in the LEBT can be avoided. We achieved high current acceleration of carbon ions (60mA) by DPIS with the high current optimized RFQ. As the next setp we will use heavier elements like Ag, Pb, Al and Cu as target in LIS (using CO2, Nd-YAG or other laser) for DPIS and will examine properties of laser-produced plasma (the relationship of between charge state and laser power density, the current dependence of the distance from the target, etc).

  17. Identification and properties of very high affinity brain membrane-binding sites for a neurotoxic phospholipase from the taipan venom

    Energy Technology Data Exchange (ETDEWEB)

    Lambeau, G.; Barhanin, J.; Schweitz, H.; Qar, J.; Lazdunski, M. (Centre de Biochimie, Nice (France))

    1989-07-05

    Four new monochain phospholipases were purified from the Oxyuranus scutellatus (taipan) venom. Three of them were highly toxic when injected into mice brain. One of these neurotoxic phospholipases, OS2, was iodinated and used in binding experiments to demonstrate the presence of two families of specific binding sites in rat brain synaptic membranes. The affinities were exceptionally high, Kd1 = 1.5 +/- 0.5 pM and Kd2 = 45 +/- 10 pM, and the maximal binding capacities were Bmax 1 = 1 +/- 0.4 and Bmax 2 = 3 +/- 0.5 pmol/mg of protein. Both binding sites were sensitive to proteolysis and demonstrated to be located on proteins of Mr 85,000-88,000 and 36,000-51,000 by cross-linking and photoaffinity labeling techniques. The binding of {sup 125}I-OS2 to synaptic membranes was dependent on Ca2+ ions and enhanced by Zn2+ ions which inhibit phospholipase activity. Competition experiments have shown that, except for beta-bungarotoxin, a number of known toxic snake or bee phospholipases have very high affinities for the newly identified binding sites. A good correlation (r = 0.80) was observed between toxicity and affinity but not between phospholipase activity and affinity.

  18. Identification and properties of very high affinity brain membrane-binding sites for a neurotoxic phospholipase from the taipan venom

    International Nuclear Information System (INIS)

    Lambeau, G.; Barhanin, J.; Schweitz, H.; Qar, J.; Lazdunski, M.

    1989-01-01

    Four new monochain phospholipases were purified from the Oxyuranus scutellatus (taipan) venom. Three of them were highly toxic when injected into mice brain. One of these neurotoxic phospholipases, OS2, was iodinated and used in binding experiments to demonstrate the presence of two families of specific binding sites in rat brain synaptic membranes. The affinities were exceptionally high, Kd1 = 1.5 +/- 0.5 pM and Kd2 = 45 +/- 10 pM, and the maximal binding capacities were Bmax 1 = 1 +/- 0.4 and Bmax 2 = 3 +/- 0.5 pmol/mg of protein. Both binding sites were sensitive to proteolysis and demonstrated to be located on proteins of Mr 85,000-88,000 and 36,000-51,000 by cross-linking and photoaffinity labeling techniques. The binding of 125 I-OS2 to synaptic membranes was dependent on Ca2+ ions and enhanced by Zn2+ ions which inhibit phospholipase activity. Competition experiments have shown that, except for beta-bungarotoxin, a number of known toxic snake or bee phospholipases have very high affinities for the newly identified binding sites. A good correlation (r = 0.80) was observed between toxicity and affinity but not between phospholipase activity and affinity

  19. Li+ ions diffusion into sol-gel V2O5 thin films: electrochromic properties

    Science.gov (United States)

    Benmoussa, M.; Outzourhit, A.; Bennouna, A.; Ihlal, A.

    2009-10-01

    V{2}O{5} thin films were prepared by the sol-gel spin coating process. The Li+ ions insertion effect on optical and electrochromic properties of those films was studied. The diffusion coefficient was calculated using both cyclic voltammograms and chronoamperometric curves. The amount x of Li+ ions in LixV{2}O{5} was also calculated. Finally, the electrochromic performance evolution characteristics such as the reversibility, coloration efficiency, coloration memory stability and response time were studied.

  20. Effect of Aging on the Mechanical Properties of Li-Ion Cell Components - A Preliminary Look

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Lei; Zhang, Chao; Santhanagopalan, Shriram; Pesaran, Ahmad

    2016-05-03

    DOE/VTO/ES initiated the Computer Aided Engineering for Batteries (CAEBAT) in 2010. CAEBAT had a strong focus on building electrochemical-thermal models that simulate the performance of lithium-ion batteries. Since the start of CAEBAT-2 projects in FY14, our emphasis has been on safety aspects -- mechanical deformation in particular. This presentation gives a preliminary look at the effect of aging on the mechanical properties of lithium-ion cell components.

  1. Structures and physical properties of gaseous metal cationized biological ions.

    Science.gov (United States)

    Burt, Michael B; Fridgen, Travis D

    2012-01-01

    Metal chelation can alter the activity of free biomolecules by modifying their structures or stabilizing higher energy tautomers. In recent years, mass spectrometric techniques have been used to investigate the effects of metal complexation with proteins, nucleobases and nucleotides, where small conformational changes can have significant physiological consequences. In particular, infrared multiple photon dissociation spectroscopy has emerged as an important tool for determining the structure and reactivity of gas-phase ions. Unlike other mass spectrometric approaches, this method is able to directly resolve structural isomers using characteristic vibrational signatures. Other activation and dissociation methods, such as blackbody infrared radiative dissociation or collision-induced dissociation can also reveal information about the thermochemistry and dissociative pathways of these biological ions. This information can then be used to provide information about the structures of the ionic complexes under study. In this article, we review the use of gas-phase techniques in characterizing metal-bound biomolecules. Particular attention will be given to our own contributions, which detail the ability of metal cations to disrupt nucleobase pairs, direct the self-assembly of nucleobase clusters and stabilize non-canonical isomers of amino acids.

  2. Density functional theory investigations on the binding modes of amidoximes with uranyl ions.

    Science.gov (United States)

    Yang, Chuting; Pei, Shuqi; Chen, Baihua; Ye, Lina; Yu, Haizhu; Hu, Sheng

    2016-02-21

    Density functional theory (DFT) calculations have been carried out to examine the relative facilities of different coordination modes of aromatic amidoximes (AOs) with UO2(NO3)2. Various η(1)-, η(2)- and chelated κ(2)-coordination modes of the possible neutral AO, tautomerized neutral (TAO, with the hydroxylic hydrogen transferring to the oximic nitrogen atom) and anionic amidoxime (AAO, formed by the deprotonation of AO) were examined. The results indicate that η(1)-O of the TAO and η(1)-O/η(2)-NO of AAO are the most plausible coordination modes. Three types of uranyl complexes, i.e. UO2(NO3)2(TAO)(AAO), UO2(NO3)2(AAO)2 and UO2(EtOH)2(AAO)2 are the predominant binding structures. The good consistency between the calculation results and the experimental observations verifies the proposed conclusions.

  3. Ion beam sputter deposition of Ag films: Influence of process parameters on electrical and optical properties, and average grain sizes

    International Nuclear Information System (INIS)

    Bundesmann, C.; Feder, R.; Gerlach, J.W.; Neumann, H.

    2014-01-01

    Ion beam sputter deposition is used to grow several sets of Ag films under systematic variation of ion beam parameters, such as ion species and ion energy, and geometrical parameters, such as ion incidence angle and polar emission angle. The films are characterized concerning their thickness by profilometry, their electrical properties by 4-point-probe-measurements, their optical properties by spectroscopic ellipsometry, and their average grain sizes by X-ray diffraction. Systematic influences of the growth parameters on film properties are revealed. The film thicknesses show a cosine-like angular distribution. The electrical resistivity increases for all sets with increasing emission angle and is found to be considerably smaller for Ag films grown by sputtering with Xe ions than for the Ag films grown by sputtering with Ar ions. Increasing the ion energy or the ion incidence angle also increases the electrical resistivity. The optical properties, which are the result of free charge carrier absorption, follow the same trends. The observed trends can be partly assigned to changes in the average grain size, which are tentatively attributed to different energetic and angular distributions of the sputtered and back-scattered particles. - Highlights: • Ion beam sputter deposition under systematic variation of process parameters. • Film characterization: thickness, electrical, optical and structural properties. • Electrical resistivity changes considerably with ion species and polar emission angle. • Electrical and optical data reveal a strong correlation with grain sizes. • Change of film properties related to changing properties of film-forming particles

  4. Crystal structure and RNA-binding properties of an Hfq homolog from the deep-branching Aquificae: conservation of the lateral RNA-binding mode

    Energy Technology Data Exchange (ETDEWEB)

    Stanek, Kimberly A.; Patterson-West, Jennifer; Randolph, Peter S.; Mura, Cameron

    2017-03-31

    The host factor Hfq, as the bacterial branch of the Sm family, is an RNA-binding protein involved in the post-transcriptional regulation of mRNA expression and turnover. Hfq facilitates pairing between small regulatory RNAs (sRNAs) and their corresponding mRNA targets by binding both RNAs and bringing them into close proximity. Hfq homologs self-assemble into homo-hexameric rings with at least two distinct surfaces that bind RNA. Recently, another binding site, dubbed the `lateral rim', has been implicated in sRNA·mRNA annealing; the RNA-binding properties of this site appear to be rather subtle, and its degree of evolutionary conservation is unknown. An Hfq homolog has been identified in the phylogenetically deep-branching thermophileAquifex aeolicus(Aae), but little is known about the structure and function of Hfq from basal bacterial lineages such as the Aquificae. Therefore,AaeHfq was cloned, overexpressed, purified, crystallized and biochemically characterized. Structures ofAaeHfq were determined in space groupsP1 andP6, both to 1.5 Å resolution, and nanomolar-scale binding affinities for uridine- and adenosine-rich RNAs were discovered. Co-crystallization with U6RNA reveals that the outer rim of theAaeHfq hexamer features a well defined binding pocket that is selective for uracil. ThisAaeHfq structure, combined with biochemical and biophysical characterization of the homolog, reveals deep evolutionary conservation of the lateral RNA-binding mode, and lays a foundation for further studies of Hfq-associated RNA biology in ancient bacterial phyla.

  5. Engineering of electronic properties of single layer graphene by swift heavy ion irradiation

    Science.gov (United States)

    Kumar, Sunil; Kumar, Ashish; Tripathi, Ambuj; Tyagi, Chetna; Avasthi, D. K.

    2018-04-01

    In this work, swift heavy ion irradiation induced effects on the electrical properties of single layer graphene are reported. The modulation in minimum conductivity point in graphene with in-situ electrical measurement during ion irradiation was studied. It is found that the resistance of graphene layer decreases at lower fluences up to 3 × 1011 ions/cm2, which is accompanied by the five-fold increase in electron and hole mobilities. The ion irradiation induced increase in electron and hole mobilities at lower fluence up to 1 × 1011 ions/cm2 is verified by separate Hall measurements on another irradiated graphene sample at the selected fluence. In contrast to the adverse effects of irradiation on the electrical properties of materials, we have found improvement in electrical mobility after irradiation. The increment in mobility is explained by considering the defect annealing in graphene after irradiation at a lower fluence regime. The modification in carrier density after irradiation is also observed. Based on findings of the present work, we suggest ion beam irradiation as a useful tool for tuning of the electrical properties of graphene.

  6. Application of equilibrium binding model for analysis of conformational transitions in poly(rA)poly(rU) complexes with metal ions

    OpenAIRE

    Sorokin V. A.; Gladchenko G. O.; Usenko E. L.; Egupov S. A.; Blagoi Yu. P.

    2010-01-01

    Aim. The study is aimed at generalization of the previous experimental results on the metal ion (Mg2+, Ni2+, Cd2+) effects on conformation transitions in poly(rA)·poly(rU). The objective was to find out how the type of a metal ion-polynucleotide complex influences the phase transitions and to estimate the constants (K) of ions binding to polymers of different structures. Methods. The K values were obtained upon theoretical and experimental transition temperature fitting by the least-square me...

  7. Hydrodynamic and Membrane Binding Properties of Purified Rous Sarcoma Virus Gag Protein

    Energy Technology Data Exchange (ETDEWEB)

    Dick, Robert A.; Datta, Siddhartha A.K.; Nanda, Hirsh; Fang, Xianyang; Wen, Yi; Barros, Marilia; Wang, Yun-Xing; Rein, Alan; Vogt, Volker M. (NCI); (Cornell); (CM); (NIST)

    2016-05-06

    Previously, no retroviral Gag protein has been highly purified in milligram quantities and in a biologically relevant and active form. We have purified Rous sarcoma virus (RSV) Gag protein and in parallel several truncation mutants of Gag and have studied their biophysical properties and membrane interactionsin vitro. RSV Gag is unusual in that it is not naturally myristoylated. From its ability to assemble into virus-like particlesin vitro, we infer that RSV Gag is biologically active. By size exclusion chromatography and small-angle X-ray scattering, Gag in solution appears extended and flexible, in contrast to previous reports on unmyristoylated HIV-1 Gag, which is compact. However, by neutron reflectometry measurements of RSV Gag bound to a supported bilayer, the protein appears to adopt a more compact, folded-over conformation. At physiological ionic strength, purified Gag binds strongly to liposomes containing acidic lipids. This interaction is stimulated by physiological levels of phosphatidylinositol-(4,5)-bisphosphate [PI(4,5)P2] and by cholesterol. However, unlike HIV-1 Gag, RSV Gag shows no sensitivity to acyl chain saturation. In contrast with full-length RSV Gag, the purified MA domain of Gag binds to liposomes only weakly. Similarly, both an N-terminally truncated version of Gag that is missing the MA domain and a C-terminally truncated version that is missing the NC domain bind only weakly. These results imply that NC contributes to membrane interactionin vitro, either by directly contacting acidic lipids or by promoting Gag multimerization.

    Retroviruses like HIV assemble at and bud from the plasma membrane of cells. Assembly requires the interaction between thousands of Gag molecules to form a lattice. Previous work indicated that lattice formation at the plasma membrane is influenced by the conformation of monomeric HIV. We have extended this work to the more tractable RSV Gag. Our

  8. Properties of the periplasmic ModA molybdate-binding protein of Escherichia coli.

    Science.gov (United States)

    Rech, S; Wolin, C; Gunsalus, R P

    1996-02-02

    The modABCD operon, located at 17 min on the Escherichia coli chromosome, encodes the protein components of a high affinity molybdate uptake system. Sequence analysis of the modA gene (GenBank L34009) predicts that it encodes a periplasmic binding protein based on the presence of a leader-like sequence at its N terminus. To examine the properties of the ModA protein, the modA structural gene was overexpressed, and its product was purified. The ModA protein was localized to the periplasmic space of the cell, and it was released following a gentle osmotic shock. The N-terminal sequence of ModA confirmed that a leader region of 24 amino acids was removed upon export from the cell. The apparent size of ModA is 31.6 kDa as determined by gel sieve chromatography, whereas it is 22.5 kDa when examined by SDS-polyacrylamide gel electrophoresis. A ligand-dependent protein mobility shift assay was devised using a native polyacrylamide gel electrophoresis protocol to examine binding of molybdate and other anions to the ModA periplasmic protein. Whereas molybdate and tungstate were bound with high affinity (approximately 5 microM), sulfate, chromate, selenate, phosphate, and chlorate did not bind even when tested at 2 mM. A UV spectral assay revealed apparent Kd values of binding for molybdate and tungstate of 3 and 7 microM, respectively. Strains defective in the modA gene were unable to transport molybdate unless high levels of the anion were supplied in the medium. Therefore the modA gene product is essential for high affinity molybdate uptake by the cell. Tungstate interference of molybdate acquisition by the cell is apparently due in part to the high affinity of the ModA protein for this anion.

  9. The effect of ion implantation on the tribomechanical properties of carbon fibre reinforced polymers

    International Nuclear Information System (INIS)

    Mistica, R.; Sood, D.K.; Janardhana, M.N.

    1993-01-01

    Graphite fibre reinforced epoxy composite material (GFRP) is used extensively in the aerospace and other industries for structural application. The trend is to address the 20 to 30 year life endurance of this material in service. Mechanical joints in air crafts are exposed to dynamic loads during service and wear may be experienced by the composite material joint. Generally it has been shown that graphite fibre reinforced polymers have superior wear and friction properties as compared with the unfilled polymers. In the described experiment, ion implantation was used as a novel surface treatment. Wear and friction of a polymer composite material (GFRP) was studied and ion implantation was used in order to observe the effect on the tribomechanical properties of the material. It was found that ion implantation of C on GFRP sliding against Ti changes the tribological properties of the system, and in particular decreases the coefficient of friction and wear. 4 refs., 2 figs

  10. The effect of ion implantation on the tribomechanical properties of carbon fibre reinforced polymers

    Energy Technology Data Exchange (ETDEWEB)

    Mistica, R.; Sood, D.K. [Royal Melbourne Inst. of Tech., VIC (Australia); Janardhana, M.N. [Deakin University, Geelong, VIC (Australia). School of Engineering and Technology

    1993-12-31

    Graphite fibre reinforced epoxy composite material (GFRP) is used extensively in the aerospace and other industries for structural application. The trend is to address the 20 to 30 year life endurance of this material in service. Mechanical joints in air crafts are exposed to dynamic loads during service and wear may be experienced by the composite material joint. Generally it has been shown that graphite fibre reinforced polymers have superior wear and friction properties as compared with the unfilled polymers. In the described experiment, ion implantation was used as a novel surface treatment. Wear and friction of a polymer composite material (GFRP) was studied and ion implantation was used in order to observe the effect on the tribomechanical properties of the material. It was found that ion implantation of C on GFRP sliding against Ti changes the tribological properties of the system, and in particular decreases the coefficient of friction and wear. 4 refs., 2 figs.

  11. Effects of C3+ ion irradiation on structural, electrical and magnetic properties of Ni nanotubes

    Science.gov (United States)

    Shlimas, D. I.; Kozlovskiy, A. L.; Zdorovets, M. V.; Kadyrzhanov, K. K.; Uglov, V. V.; Kenzhina, I. E.; Shumskaya, E. E.; Kaniukov, E. Y.

    2018-03-01

    Ion irradiation is an attractive method for obtaining nanostructures that can be used under extreme conditions. Also, it is possible to control the technological process that allows obtaining nanomaterials with new properties at ion irradiation. In this paper, we study the effect of irradiation with 28 MeV C3+ ions and fluences up to 5 × 1011 cm-2 on the structure and properties of template-synthesized nickel nanotubes with a length of 12 μm, with diameters of 400 nm, and a wall thickness of 100 nm. It is demonstrated that the main factor influencing the degradation of nanostructures under irradiation in PET template is the processes of mixing the material of nanostructures with the surrounding polymer. The influence of irradiation with various fluences on the crystal structure, electrical and magnetic properties of nickel nanotubes is studied.

  12. Properties of the Excited States of Molecular Ions.

    Science.gov (United States)

    1981-04-13

    0P) (meV) With the analyzer centered at W = 0 (in this homo- 9 1. la 2.2 nuclear diatomic case, to pass ions of energy JT0), the 11 7.2 a 8.7 maximum...Sec. 111. D. year. 5 Associated with the Centre National de la Recherche Scien- Briefly, a single-mode tunable dye laser, pumped by tlflque, an Ar or Kr...quatu nube N s f mno Imor&=*hee, ine ’S.A. thr. T.M. Miller, P.* C. Cy H.~ 5 D.Zn .R thecrasng oit negy s aled it icrsaig i L.LotJ.T. Moseley

  13. Measurements of the Properties of Highly-charged high-Z ions

    International Nuclear Information System (INIS)

    Augustine J. Smith, Ph.D.

    2007-01-01

    We had proposed carrying out a systematic experimental investigation of the atomic physics of highly charged, high-Z ions, produced in the Lawrence Livermore National Laboratory LLNL electron beam ion trap (EBIT-I) in its high energy mode, superEBIT. In particular we were going to accurately measure line positions for Δn=0 transitions in few electron high-Z ions; this was meant to enable us to investigate relativistic and quantum electrodynamics QED contributions to the energy levels as well as the nuclear properties of heavy ions. We were also going to measure cross sections for various electron-ion interactions, the degree of polarization of emitted x-rays, and radiation cooling rates of various ionization stages of highly charged, high-Z ions. This would enable us to study fundamental atomic physics of high-Z ions at relativistic electron impact energies and in the intense nuclear fields of highly ionized, high-Z ions. This would extend previous measurements we have carried out to a regime where there is a paucity of good data. These measurements were expected to generate increased theoretical interest and activity in this area. The project will extend a very successful collaboration between Morehouse College (MC) and a national laboratory LLNL, Minority student training and development are major components of the proposal

  14. Sequential water molecule binding enthalpies for aqueous nanodrops containing a mono-, di- or trivalent ion and between 20 and 500 water molecules† †Electronic supplementary information (ESI) available: Detailed description of the experimental and computational modeling methods. Isolation, BIRD and UVPD sequence for [Ru(NH3)6]3+·(H2O)169–171, nanoESI spectra for 2+ and 3+ ions. Detailed description of the isotope distribution simulation program. Comparison between experimental and simulated 1+, 2+ and 3+ ion isotope distributions. Wavelength dependence of the deduced sequential binding enthalpies. Comparison of experimental UVPD binding enthalpies to the liquid drop model at different temperatures. Complete list of binding enthalpies and average number of water molecules lost upon UVPD. See DOI: 10.1039/c6sc04957e Click here for additional data file.

    Science.gov (United States)

    Heiles, Sven; Cooper, Richard J.; DiTucci, Matthew J.

    2017-01-01

    Sequential water molecule binding enthalpies, ΔH n,n–1, are important for a detailed understanding of competitive interactions between ions, water and solute molecules, and how these interactions affect physical properties of ion-containing nanodrops that are important in aerosol chemistry. Water molecule binding enthalpies have been measured for small clusters of many different ions, but these values for ion-containing nanodrops containing more than 20 water molecules are scarce. Here, ΔH n,n–1 values are deduced from high-precision ultraviolet photodissociation (UVPD) measurements as a function of ion identity, charge state and cluster size between 20–500 water molecules and for ions with +1, +2 and +3 charges. The ΔH n,n–1 values are obtained from the number of water molecules lost upon photoexcitation at a known wavelength, and modeling of the release of energy into the translational, rotational and vibrational motions of the products. The ΔH n,n–1 values range from 36.82 to 50.21 kJ mol–1. For clusters containing more than ∼250 water molecules, the binding enthalpies are between the bulk heat of vaporization (44.8 kJ mol–1) and the sublimation enthalpy of bulk ice (51.0 kJ mol–1). These values depend on ion charge state for clusters with fewer than 150 water molecules, but there is a negligible dependence at larger size. There is a minimum in the ΔH n,n–1 values that depends on the cluster size and ion charge state, which can be attributed to the competing effects of ion solvation and surface energy. The experimental ΔH n,n–1 values can be fit to the Thomson liquid drop model (TLDM) using bulk ice parameters. By optimizing the surface tension and temperature change of the logarithmic partial pressure for the TLDM, the experimental sequential water molecule binding enthalpies can be fit with an accuracy of ±3.3 kJ mol–1 over the entire range of cluster sizes. PMID:28451364

  15. Application of equilibrium binding model for analysis of conformational transitions in poly(rApoly(rU complexes with metal ions

    Directory of Open Access Journals (Sweden)

    Sorokin V. A.

    2010-09-01

    Full Text Available Aim. The study is aimed at generalization of the previous experimental results on the metal ion (Mg2+, Ni2+, Cd2+ effects on conformation transitions in poly(rA·poly(rU. The objective was to find out how the type of a metal ion-polynucleotide complex influences the phase transitions and to estimate the constants (K of ions binding to polymers of different structures. Methods. The K values were obtained upon theoretical and experimental transition temperature fitting by the least-square method with the root mean square deviation minimized through the procedure of the gradient descent in the multidimensional space. Results. Calcula- tions of diagrams with Mg2+ are shown to permit obtaining satisfactory results if concentration-independent, mean values of constants are used. For Ni2+ and Cd2+ the concentration dependence of K must be taken into account, especially for high ion contents at which compaction of single-stranded poly(rA emerges. It was revealed that the main factor responsible for the differences in diagrams with Ni2+ and Cd2+ is a significant distinction of their constants of binding to poly(rA and poly(rU. Conclusions. The model theory of equilibrium binding is capable to describe adequately conformation transitions in polynucleotides in the presence of metal ions.

  16. Electron Ion Collider: The Next QCD Frontier - Understanding the glue that binds us all

    CERN Document Server

    Accardi, A.; Anselmino, M.; Armesto, N.; Aschenauer, E.C.; Bacchetta, A.; Boer, D.; Brooks, W.K.; Burton, T.; Chang, N.B.; Deng, W.T.; Deshpande, A.; Diehl, M.; Dumitru, A.; Dupré, R.; Ent, R.; Fazio, S.; Gao, H.; Guzey, V.; Hakobyan, H.; Hao, Y.; Hasch, D.; Holt, R.; Horn, T.; Huang, M.; Hutton, A.; Hyde, C.; Jalilian-Marian, J.; Klein, S.; Kopeliovich, B.; Kovchegov, Y.; Kumar, K.; Kumerički, K.; Lamont, M.A.C.; Lappi, T.; Lee, J.H.; Lee, Y.; Levin, E.M.; Lin, F.L.; Litvinenko, V.; Ludlam, T.W.; Marquet, C.; Meziani, Z.E.; McKeown, R.; Metz, A.; Milner, R.; Morozov, V.S.; Mueller, A.H.; Müller, B.; Müller, Dieter; Nadel-Turonski, P.; Paukkunen, H.; Prokudin, A.; Ptitsyn, V.; Qian, X.; Qiu, J.W.; Ramsey-Musolf, M.; Roser, T.; Sabatié, F.; Sassot, R.; Schnell, G.; Schweitzer, P.; Sichtermann, E.; Stratmann, M.; Strikman, M.; Sullivan, M.; Taneja, S.; Toll, T.; Trbojevic, D.; Ullrich, T.; Venugopalan, R.; Vigdor, S.; Vogelsang, W.; Weiss, C.; Xiao, B.W.; Yuan, F.; Zhang, Y.H.; Zheng, L.

    2016-01-01

    This White Paper presents the science case of an Electron-Ion Collider (EIC), focused on the structure and interactions of gluon-dominated matter, with the intent to articulate it to the broader nuclear science community. It was commissioned by the managements of Brookhaven National Laboratory (BNL) and Thomas Jefferson National Accelerator Facility (JLab) with the objective of presenting a summary of scientific opportunities and goals of the EIC as a follow-up to the 2007 NSAC Long Range plan. This document is a culmination of a community-wide effort in nuclear science following a series of workshops on EIC physics and, in particular, the focused ten-week program on "Gluons and quark sea at high energies" at the Institute for Nuclear Theory in Fall 2010. It contains a brief description of a few golden physics measurements along with accelerator and detector concepts required to achieve them, and it benefited from inputs from the users' communities of BNL and JLab. This White Paper offers the promise to prope...

  17. Hydrogen-Deuterium Exchange Mass Spectrometry Reveals Calcium Binding Properties and Allosteric Regulation of Downstream Regulatory Element Antagonist Modulator (DREAM).

    Science.gov (United States)

    Zhang, Jun; Li, Jing; Craig, Theodore A; Kumar, Rajiv; Gross, Michael L

    2017-07-18

    Downstream regulatory element antagonist modulator (DREAM) is an EF-hand Ca 2+ -binding protein that also binds to a specific DNA sequence, downstream regulatory elements (DRE), and thereby regulates transcription in a calcium-dependent fashion. DREAM binds to DRE in the absence of Ca 2+ but detaches from DRE under Ca 2+ stimulation, allowing gene expression. The Ca 2+ binding properties of DREAM and the consequences of the binding on protein structure are key to understanding the function of DREAM. Here we describe the application of hydrogen-deuterium exchange mass spectrometry (HDX-MS) and site-directed mutagenesis to investigate the Ca 2+ binding properties and the subsequent conformational changes of full-length DREAM. We demonstrate that all EF-hands undergo large conformation changes upon calcium binding even though the EF-1 hand is not capable of binding to Ca 2+ . Moreover, EF-2 is a lower-affinity site compared to EF-3 and -4 hands. Comparison of HDX profiles between wild-type DREAM and two EF-1 mutated constructs illustrates that the conformational changes in the EF-1 hand are induced by long-range structural interactions. HDX analyses also reveal a conformational change in an N-terminal leucine-charged residue-rich domain (LCD) remote from Ca 2+ -binding EF-hands. This LCD domain is responsible for the direct interaction between DREAM and cAMP response element-binding protein (CREB) and regulates the recruitment of the co-activator, CREB-binding protein. These long-range interactions strongly suggest how conformational changes transmit the Ca 2+ signal to CREB-mediated gene transcription.

  18. Ion assisted deposition of refractory oxide thin film coatings for improved optical and structural properties

    International Nuclear Information System (INIS)

    Sahoo, N.K.; Thakur, S.; Bhattacharyya, D.; Das, N.C.

    1999-03-01

    Ion assisted deposition technique (IAD) has emerged as a powerful tool to control the optical and structural properties of thin film coatings. Keeping in view the complexity of the interaction of ions with the films being deposited, sophisticated ion sources have been developed that cater to the need of modern optical coatings with stringent spectral and environmental specifications. In the present work, the results of ion assisted deposition (IAD) of two commonly used refractory oxides, namely TiO 2 and ZrO 2 , using cold cathode ion source (CC-102R) are presented. Through successive feedback and calibration techniques, various ion beams as well as deposition parameters have been optimized to achieve the best optical and structural film properties in the prevalent deposition geometry of the coating system. It has been possible to eliminate the unwanted optical and structural inhomogeneities from these films using and optimized set of process parameters. Interference modulated spectrophotometric and phase modulated ellipsometric techniques have been very successfully utilized to analyze the optical and structural parameters of the films. Several precision multilayer coatings have been developed and are being used for laser and spectroscopic applications. (author)

  19. Modification of Bi:YIG film properties by substrate surface ion pre-treatment

    Energy Technology Data Exchange (ETDEWEB)

    Shaposhnikov, A.N.; Prokopov, A.R.; Karavainikov, A.V.; Berzhansky, V.N.; Mikhailova, T.V. [Taurida National V.I. Vernadsky University, Vernadsky Avenue, 4, Simferopol, 95007 (Ukraine); Kotov, V.A. [V.A. Kotelnikov Institute of Radio Engineering and Electronics, RAS, 11 Mohovaya Street, Moscow, 125009 (Russian Federation); Balabanov, D.E. [Moscow Institute of Physics and Technology, Dolgoprudny, 141700 (Russian Federation); Sharay, I.V.; Salyuk, O.Y. [Institute of Magnetism, NAS of Ukraine, 03142, Kiev (Ukraine); Vasiliev, M. [Electron Science Research Institute, Edith Cowan University, 270 Joondalup Drive, Joondalup 6027 (Australia); Golub, V.O., E-mail: v_o_golub@yahoo.com [Institute of Magnetism, NAS of Ukraine, 03142, Kiev (Ukraine)

    2014-07-01

    Highlights: • Effects of substrates ion beam treatment on magnetoptical properties Bi:YIG films. • Substrate surface damage results in sign inversion of the magneto-optical effects. • Atomically smooth films growth takes place on low energy ions treated substrates. • High energy ions treatment results in selective nucleation mechanism of the growth. - Abstract: The effect of a controlled ion beam pre-treatment of (1 1 1)-oriented Gd{sub 3}Ga{sub 5}O{sub 12} substrates on the magneto-optical properties and surface morphology of the ultrathin bismuth-substituted yttrium–iron garnet films with a composition Bi{sub 2.8}Y{sub 0.2}Fe{sub 5}O{sub 12} was studied. It has been shown that the observed sign inversion of magneto-optical effects (Faraday rotation and magnetic circular dichroism) observed in films that were deposited on the GGG substrate pre-treated by 1 keV and 4 keV Ar{sup +} ion beams is a result of the substrate surface amorphization caused by the ion bombardment.

  20. Modification of Bi:YIG film properties by substrate surface ion pre-treatment

    International Nuclear Information System (INIS)

    Shaposhnikov, A.N.; Prokopov, A.R.; Karavainikov, A.V.; Berzhansky, V.N.; Mikhailova, T.V.; Kotov, V.A.; Balabanov, D.E.; Sharay, I.V.; Salyuk, O.Y.; Vasiliev, M.; Golub, V.O.

    2014-01-01

    Highlights: • Effects of substrates ion beam treatment on magnetoptical properties Bi:YIG films. • Substrate surface damage results in sign inversion of the magneto-optical effects. • Atomically smooth films growth takes place on low energy ions treated substrates. • High energy ions treatment results in selective nucleation mechanism of the growth. - Abstract: The effect of a controlled ion beam pre-treatment of (1 1 1)-oriented Gd 3 Ga 5 O 12 substrates on the magneto-optical properties and surface morphology of the ultrathin bismuth-substituted yttrium–iron garnet films with a composition Bi 2.8 Y 0.2 Fe 5 O 12 was studied. It has been shown that the observed sign inversion of magneto-optical effects (Faraday rotation and magnetic circular dichroism) observed in films that were deposited on the GGG substrate pre-treated by 1 keV and 4 keV Ar + ion beams is a result of the substrate surface amorphization caused by the ion bombardment

  1. 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.

  2. Investigating change of properties in gallium ion irradiation patterned single-layer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Quan, E-mail: wangq@mail.ujs.edu.cn [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (China); Dong, Jinyao; Bai, Bing [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Xie, Guoxin [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

    2016-10-14

    Besides its excellent physical properties, graphene promises to play a significant role in electronics with superior properties, which requires patterning of graphene for device integration. Here, we presented the changes in properties of single-layer graphene before and after patterning using gallium ion beam. Combined with Raman spectra of graphene, the scanning capacitance microscopy (SCM) image confirmed that a metal–insulator transition occurred after large doses of gallium ion irradiation. The changes in work function and Raman spectra of graphene indicated that the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. The patterning width of graphene presented an increasing trend due to the scattering influence of the impurities and the substrate. - Highlights: • The scanning capacitance microscopy image confirmed a metal–insulator transition occurred after large doses of gallium ion irradiation. • The changes indicated the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. • The patterning width of graphene presented a increasing trend due to the scattering influence of the impurities and the substrate.

  3. Investigating change of properties in gallium ion irradiation patterned single-layer graphene

    International Nuclear Information System (INIS)

    Wang, Quan; Dong, Jinyao; Bai, Bing; Xie, Guoxin

    2016-01-01

    Besides its excellent physical properties, graphene promises to play a significant role in electronics with superior properties, which requires patterning of graphene for device integration. Here, we presented the changes in properties of single-layer graphene before and after patterning using gallium ion beam. Combined with Raman spectra of graphene, the scanning capacitance microscopy (SCM) image confirmed that a metal–insulator transition occurred after large doses of gallium ion irradiation. The changes in work function and Raman spectra of graphene indicated that the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. The patterning width of graphene presented an increasing trend due to the scattering influence of the impurities and the substrate. - Highlights: • The scanning capacitance microscopy image confirmed a metal–insulator transition occurred after large doses of gallium ion irradiation. • The changes indicated the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. • The patterning width of graphene presented a increasing trend due to the scattering influence of the impurities and the substrate.

  4. Space and time dependent properties of the virtual cathode in a reflex-type pulsed ion diode (virtual cathode in a reflex-type pulsed ion diode)

    International Nuclear Information System (INIS)

    Matsumoto, Yoshio; Yano, Syukuro

    1982-01-01

    Properties of a virtual cathode in a pulsed ion diode composed of an insulator-mesh anode and a metal-mesh cathode were studied experimentally at anode voltages below 360kV. Potential distribution in the virtual cathode side was measured with an insulated electrostatic potential probe, and ion beam currents in virtual and real cathode sides were measured with biased ion collectors. A loss parameter for the electron current at the virtual cathode was evaluated from the measured electron current values by using relations derived from the one-dimensional Child-Langmuir theory applied to the reflex triode. The ion beam accompanies a considerable amount of electron current, and this influences the stability of the virtual cathode; this perturbation results in variations of ion current with time. Space potentials in the emitted ion beam are given, suggesting an existence of high energy electrons of several keV accelerated by positive space potential of the ion beam. (author)

  5. Reactive Ar ion beam sputter deposition of TiO{sub 2} films: Influence of process parameters on film properties

    Energy Technology Data Exchange (ETDEWEB)

    Bundesmann, C., E-mail: carsten.bundesmann@iom-leipzig.de [Leibniz-Institut für Oberflächenmodifizierung e.V., Permoserstrasse 15, 04318 Leipzig (Germany); Lautenschläger, T.; Thelander, E. [Leibniz-Institut für Oberflächenmodifizierung e.V., Permoserstrasse 15, 04318 Leipzig (Germany); Spemann, D. [Leibniz-Institut für Oberflächenmodifizierung e.V., Permoserstrasse 15, 04318 Leipzig (Germany); Universität Leipzig, Fakultät für Physik und Geowissenschaften, Institut für Experimentelle Physik II, Linnéstrasse 5, 04103 Leipzig (Germany)

    2017-03-15

    Highlights: • Ion beam sputter deposition under systematic variation of process parameters. • Thickness, growth rate, structure, mass density, composition, optical properties. • All TiO{sub 2} films are amorphous with systematic variations in mass density. • Considerable amount of inert process gas correlated with scattering angle. • Correlation of mass density and index of refraction. - Abstract: Several sets of TiO{sub 2} films were grown by Ar ion beam sputter deposition under systematic variation of ion energy and geometrical parameters (ion incidence angle and polar emission angle). The films were characterized concerning thickness, growth rate, structural properties, composition, mass density, and optical properties. The film thicknesses show a cosine-like angular distribution, and the growth rates were found to increase with increasing ion incidence angle and ion energy. All films are amorphous and stoichiometric, but can contain a considerable amount of backscattered primary particles. The atomic fraction of Ar particles decreases systematically with increasing scattering angle, independent from ion energy and ion incidence angle. Mass density and index of refraction show similar systematic variations with ion energy and geometrical parameters. The film properties are mainly influenced by the scattering geometry, and only slightly by ion energy and ion incidence angle. The variations in the film properties are tentatively assigned to changes in the angular and energy distribution of the sputtered target particles and back-scattered primary particles.

  6. In vitro degradation properties of ion-beam irradiated poly(lactide-co-glycolic acid) mesh

    Science.gov (United States)

    Tanaka, Toshiyuki; Tsuchiya, Koji; Yajima, Hirofumi; Suzuki, Yoshiaki; Fukutome, Akira

    2011-10-01

    Scaffolds for tissue regeneration must be biocompatible and biodegradable. Ion-beam irradiation is useful for making polymers biocompatible, but the process by which the irradiated polymers biodegradable is not yet well understood. We investigated this phenomenon by Kr +-irradiated poly(lactide-co-glycolic acid) (PLGA) mesh substrate at an acceleration energy of 50 keV with fluences of 1 × 10 13 and 1 × 10 14 ions/cm 2. We then measured the electronic states of the constituent elements on the irradiated surface by X-ray photoelectron microscopy (XPS) and evaluated the hydrolytic degradation properties (weight loss, media pH, and tensile strength) of the mesh in phosphate buffer solution. New functional groups and carbonization were induced on the irradiated surface. Degradation rate and tensile strength remain unchanged by ion-beam irradiation. Ion-beam irradiation should, thus, be a promising modification technique for tissue engineering scaffolds.

  7. Modification of surface properties of yttria stabilized zirconia by ion implantation

    Science.gov (United States)

    Legg, K. O.; Cochran, J. K.; Solnick-Legg, H. F.; Mann, X. L.

    1985-03-01

    In order to determine in what ways ion implantation and subsequent heat treatment can be used to improve mechanical properties of ceramics, (110) yttria stabilized zirconia (YSZ) was implanted with Al + or Zr + ions and heat treated at a series of temperatures. Ion doses from 10 16 to 4 × 10 17{ion}/{cm 2} were used, with annealing temperatures up to 1575°C. In Al + implanted samples, many small precipitates formed at temperatures of about 1200δC, while at higher temperatures, the alumminum was precipitated as micro-sized alumina crystallites with 10-20% increases in hardness and fracture toughness. However, by allowing sufficient time for the nucleation of a large number of precipitates in the 1150 to 1250°C range, a new nucleation controlled microstructure (NCM) was formed, consisting of interlocking zirconia and alumina phases which exhibited improvements of 50% in fracture toughness and 25% in hardness.

  8. Can the Transport Properties of Molten Salts and Ionic Liquids Be Used To Determine Ion Association?

    Science.gov (United States)

    Harris, Kenneth R

    2016-12-01

    There have long been arguments supporting the concept of ion association in molten salts and ionic liquids, largely based on differences between the conductivity and that predicted from self-diffusion coefficients by the Nernst-Einstein equation for noninteracting ions. It is known from molecular dynamics simulations that even simple models based on charged hard spheres show such a difference due to the (anti)-correlation of ion motions. Formally this is expressed as a difference between the velocity cross-correlation coefficient of the oppositely charged ions and the mean of those for the two like-charged ions. This article examines molten salt and ionic liquid transport property data, comparing simple and model associated salts (ZnCl 2 , PbCl 2 , and TlCl) including weakly dissociated molecular liquids (H 2 O, HCOOH, H 2 SO 4 ). Analysis employing Laity resistance coefficients (r ij ) shows that the common ion-association rationalization is flawed, consistent with recent direct measurements of the degree of ionicity in ionic liquid chlorides and with theoretical studies. However, the protic ionic liquids [PyrOMe][BF 4 ] and [DBUH][CH 3 SO 3 ] have larger than usual NE deviation parameters (>0.5), and large negative like-ion r ii , analogous to those of ZnCl 2 . Structural, spectroscopic, and theoretical studies are suggested to determine whether these are indeed genuine examples of association.

  9. Thin film separators with ion transport properties for energy applications

    Science.gov (United States)

    Li, Zhongyuan

    2017-09-01

    Recent years, along with the increasing need of energy, energy storage also becomes a challenging problem which we need to deal with. The batterieshave a good developing prospect among energy storage system in storing energy such as wind, solar and geothermal energy. One hurdle between the lab-scale experiment and industry-scale application of the advanced batteries is the urgent need for limiting charging capacity degradation and improving cycling stability, known as the shuttle effect in lithium-sulfur batteries or electroosmotic drag coefficient in fuel-cell batteries. The microporous separator between the cathode and anode could be molecular engineered to possessesion selective permeation properties, which can greatly improves the energy efficiency and extends application range of the battery. The present review offers the fundamental fabrication methods of separator film with different material. The review also contains the chemical or physical structure of different materials which are used in making separator film. A table offers the reader a summary of properties such as ionic conductivity, ionic exchange capacity and current density etc.

  10. Physical property of disordered-GaAs produced by ion implantation

    International Nuclear Information System (INIS)

    Nojima, Shunji

    1979-01-01

    The properties of disordered-GaAs produced by ion implantation and its annealing behaviors are investigated for ion species of H, Be, P, and As, from the viewpoints of both the electrical property and the physical structure of the disordered layer. From the study of the electron diffraction for implanted layers and of the conductivity due to defects as a function of dose, depth, measuring temperature, and annealing temperature, the following two facts are clarified: first, the conductivity due to defects can be a good measure for the degree of disorder in GaAs produced by ion implantation, when it is less than --1 Ω -1 cm -1 . Second, the localized states originating from defects are distributed with the same density in the high dose implanted layer, in spite of the degree of disorder in the physical structure. (author)

  11. Cell Surface Properties of Lactococcus lactis Reveal Milk Protein Binding Specifically Evolved in Dairy Isolates

    Science.gov (United States)

    Tarazanova, Mariya; Huppertz, Thom; Beerthuyzen, Marke; van Schalkwijk, Saskia; Janssen, Patrick; Wels, Michiel; Kok, Jan; Bachmann, Herwig

    2017-01-01

    Surface properties of bacteria are determined by the molecular composition of the cell wall and they are important for interactions of cells with their environment. Well-known examples of bacterial interactions with surfaces are biofilm formation and the fermentation of solid materials like food and feed. Lactococcus lactis is broadly used for the fermentation of cheese and buttermilk and it is primarily isolated from either plant material or the dairy environment. In this study, we characterized surface hydrophobicity, charge, emulsification properties, and the attachment to milk proteins of 55 L. lactis strains in stationary and exponential growth phases. The attachment to milk protein was assessed through a newly developed flow cytometry-based protocol. Besides finding a high degree of biodiversity, phenotype-genotype matching allowed the identification of candidate genes involved in the modification of the cell surface. Overexpression and gene deletion analysis allowed to verify the predictions for three identified proteins that altered surface hydrophobicity and attachment of milk proteins. The data also showed that lactococci isolated from a dairy environment bind higher amounts of milk proteins when compared to plant isolates. It remains to be determined whether the alteration of surface properties also has potential to alter starter culture functionalities. PMID:28936202

  12. Cell Surface Properties of Lactococcus lactis Reveal Milk Protein Binding Specifically Evolved in Dairy Isolates

    Directory of Open Access Journals (Sweden)

    Mariya Tarazanova

    2017-09-01

    Full Text Available Surface properties of bacteria are determined by the molecular composition of the cell wall and they are important for interactions of cells with their environment. Well-known examples of bacterial interactions with surfaces are biofilm formation and the fermentation of solid materials like food and feed. Lactococcus lactis is broadly used for the fermentation of cheese and buttermilk and it is primarily isolated from either plant material or the dairy environment. In this study, we characterized surface hydrophobicity, charge, emulsification properties, and the attachment to milk proteins of 55 L. lactis strains in stationary and exponential growth phases. The attachment to milk protein was assessed through a newly developed flow cytometry-based protocol. Besides finding a high degree of biodiversity, phenotype-genotype matching allowed the identification of candidate genes involved in the modification of the cell surface. Overexpression and gene deletion analysis allowed to verify the predictions for three identified proteins that altered surface hydrophobicity and attachment of milk proteins. The data also showed that lactococci isolated from a dairy environment bind higher amounts of milk proteins when compared to plant isolates. It remains to be determined whether the alteration of surface properties also has potential to alter starter culture functionalities.

  13. The influence of activation of heterogeneous ion-exchange membranes on their electrochemical properties

    Czech Academy of Sciences Publication Activity Database

    Brožová, Libuše; Křivčík, J.; Neděla, D.; Kysela, V.; Žitka, Jan

    2015-01-01

    Roč. 56, č. 12 (2015), s. 3228-3232 ISSN 1944-3994. [International Conference on Membrane and Electromembrane Processes - MELPRO 2014. Prague, 18.05.2014-21.05.2014] Institutional support: RVO:61389013 Keywords : heterogeneous ion-exchange membranes * electrochemical properties * activation Subject RIV: JP - Industrial Processing Impact factor: 1.272, year: 2015

  14. Transport properties of the fluid produced at Relativistic Heavy-Ion ...

    Indian Academy of Sciences (India)

    Abstract. It is by now well known that the relativistic heavy-ion collisions at RHIC,. BNL have produced a strongly interacting fluid with remarkable properties, among them the lowest ever observed ratio of the coefficient of shear viscosity to entropy density. Argu- ments based on ideas from the string theory, in particular the ...

  15. Tunable electronic, electrical and optical properties of graphene oxide sheets by ion irradiation

    Science.gov (United States)

    Jayalakshmi, G.; Saravanan, K.; Panigrahi, B. K.; Sundaravel, B.; Gupta, Mukul

    2018-05-01

    The tunable electronic, electrical and optical properties of graphene oxide (GO) sheets were investigated using a controlled reduction by 500 keV Ar+-ion irradiation. The carbon to oxygen ratio of the GO sheets upon the ion beam reduction has been estimated using resonant Rutherford backscattering spectrometry analyses and its effect on the electrical and optical properties of GO sheets has been studied using sheet resistance measurements and photoluminescence (PL) measurements. The restoration of sp 2-hybridized carbon atoms within the sp 3 matrix is found to be increases with increasing the Ar+-ion fluences as evident from Fourier transform infrared, and x-ray absorption near-edge structure measurements. The decrease in the number of disorder-induced local density of states (LDOSs) within the π-π* gap upon the reduction causes the shifting of PL emission from near infra-red to blue region and decreases the sheet resistance. The improved electrical and optical properties of GO sheets were correlated to the decrease in the number of LDOSs within the π-π* gap. Our experimental investigations suggest ion beam irradiation is one of an effective approaches to reduce GO to RGO and to tailor its electronic, electrical and optical properties.

  16. Optical and magnetic properties of Yb ion-doped cobalt-based ZnO ...

    Indian Academy of Sciences (India)

    Administrator

    desired luminescent features. Based on previous reports, obtaining good optical and magnetic properties from the nanomaterials is fully based on the doping of selective elements only. Among various RE ions, Yb is one of the interesting elements which exhibit unique optical features with their partially filled f electron states.

  17. The binding properties of some novel ruthenium (III complexes with human serum transferrin

    Directory of Open Access Journals (Sweden)

    Nicolae A.

    2011-04-01

    Full Text Available Aim. The transferrin cycle gained increased interest in recent years and it holds promise as an attractive system for strategies of drug targeting to tumors. Neoplasic cells exhibit a large demand of iron and therefore express highly transferrin receptors. As a consequence, transferrin conjugates can preferentially interact with cancer cells. This strategy is exploited nowadays for targeting novel anti-cancer drugs. Recent data showed that ruthenium (III compounds possess antitumor and antimetastatic effects, due to their affinity for crucial biomolecules (like transferrin. Methods. The paper presents the transferrin-binding properties of some novel ruthenium (III complexes with general formula RuL2(DMSO mCl3·nH2O ((Ru-nf L: norfloxacin (nf, m = 1, n = 1; (Ru-cpx L: ciprofloxacin (cpx, m = 2, n = 2; (Ru-oflo L: ofloxacin (oflo, m = 1, n = 1; (Ru-levo L: levofloxacin (Levo, m = 2, n = 8; (Ru-pip L: pipemidic acid (pip, m = 1, n = 2, DMSO: dimethylsulfoxide. We investigated, in vitro, the interactions of these ligands with human transferrin through spectroscopic techniques, with the ultimate goal of preparing adducts with good selectivity for cancer cells. Results. All studied complexes interact with human serum transferrin; the molar ratio [complex]/[transferrin] strongly influences the binding affinity. Conclusions. The best interaction between the complexes studied and transferrin is achieved for a molar ratio of 8; the best interaction was registered for Ru-pip, followed by Ru-nf.

  18. Influence of the Changes of the Structure of Foundry Bentonites on Their Binding Properties

    Directory of Open Access Journals (Sweden)

    Sylwia ŻYMANKOWSKA-KUMON

    2012-03-01

    Full Text Available In this paper, the effects of the examination of the structure of calcium bentonites, activated by sodium carbonate, applied in the foundry industry as a binding agent for moulding sands, subjected to the effects of high temperature, were presented. The examination was conducted with the use of the infrared spectroscopy (FTIR and X-ray analysis (XRD. In addition, the montmorillonite contents in the bentonite sample was determined with the use of the modern, Cu(II-TET complex method and the technological properties of moulding sands containing the examined bentonites, such as: compactability, permeability, compression strength were examined.DOI: http://dx.doi.org/10.5755/j01.ms.18.1.1342

  19. Synthesis and Structure of a Ternary Copper(II) Complex with Mixed Ligands of Diethylenetriamine and Picrate: DNA/Protein-Binding Property and In Vitro Anticancer Activity Studies.

    Science.gov (United States)

    Shi, Ya-Ning; Zheng, Kang; Zhu, Ling; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei

    2015-05-01

    Based on the importance of the design and synthesis of transition metal complexes with noncovalent DNA/protein-binding abilities in the field of metallo pharmaceuticals, a new mononuclear ternary copper(II) complex with mixed ligands of diethylenetriamine (dien) and picrate anion (pic), identified as [Cu(dien)(pic)](pic), was synthesized and characterized by elemental analysis, molar conductivity measurement, infrared spectrum, electronic spectral studies, and single-crystal X-ray diffractometry. The structure analysis reveals that the copper(II) complex crystallizes in the monoclinic space group P21 /c, and the copper(II) ion has a distorted square pyramidal coordination geometry. A two-dimensional supramolecular structure is formed through hydrogen bonds. The DNA/bovine serum albumin (BSA)-binding properties of the complex are explored, indicating that the complex can interact with herring sperm DNA via intercalation mode and bind to BSA responsible for quenching of tryptophan fluorescence by static quenching mechanism. The in vitro anticancer activity shows that the copper(II) complex is active against the selected tumor cell lines. © 2015 Wiley Periodicals, Inc.

  20. Thermal Properties of Microstrain Gauges Used for Protection of Lithium-Ion Cells of Different Designs

    Science.gov (United States)

    Jeevarajan, Judith

    2011-01-01

    The purpose of this innovation is to use microstrain gauges to monitor minute changes in temperature along with material properties of the metal cans and pouches used in the construction of lithium-ion cells. The sensitivity of the microstrain gauges to extremely small changes in temperatures internal to the cells makes them a valuable asset in controlling the hazards in lithium-ion cells. The test program on lithium-ion cells included various cell configurations, including the pouch type configurations. The thermal properties of microstrain gauges have been found to contribute significantly as safety monitors in lithium-ion cells that are designed even with hard metal cases. Although the metal cans do not undergo changes in material property, even under worst-case unsafe conditions, the small changes in thermal properties observed during charge and discharge of the cell provide an observable change in resistance of the strain gauge. Under abusive or unsafe conditions, the change in the resistance is large. This large change is observed as a significant change in slope, and this can be used to prevent cells from going into a thermal runaway condition. For flexible metal cans or pouch-type lithium-ion cells, combinations of changes in material properties along with thermal changes can be used as an indication for the initiation of an unsafe condition. Lithium-ion cells have a very high energy density, no memory effect, and almost 100-percent efficiency of charge and discharge. However, due to the presence of a flammable electrolyte, along with the very high energy density and the capability of releasing oxygen from the cathode, these cells can go into a hazardous condition of venting, fire, and thermal runaway. Commercial lithium-ion cells have current and voltage monitoring devices that are used to control the charge and discharge of the batteries. Some lithium-ion cells have internal protective devices, but when used in multi-cell configurations, these protective

  1. A Specific Peptide with Calcium-Binding Capacity from Defatted Schizochytrium sp. Protein Hydrolysates and the Molecular Properties

    Directory of Open Access Journals (Sweden)

    Xixi Cai

    2017-03-01

    Full Text Available Marine microorganisms have been proposed as a new kind of protein source. Efforts are needed in order to transform the protein-rich biological wastes left after lipid extraction into value-added bio-products. Thus, the utilization of protein recovered from defatted Schizochytrium sp. by-products presents an opportunity. A specific peptide Tyr-Leu (YL with calcium-binding capacity was purified from defatted Schizochytrium sp. protein hydrolysates through gel filtration chromatography and RP-HPLC. The calcium-binding activity of YL reached 126.34 ± 3.40 μg/mg. The calcium-binding mechanism was investigated through ultraviolet, fluorescence and infrared spectroscopy. The results showed that calcium ions could form dative bonds with carboxyl oxygen atoms and amino nitrogen atoms as well as the nitrogen and oxygen atoms of amide bonds. YL-Ca exhibited excellent thermal stability and solubility, which was beneficial for its absorption and transport in the basic intestinal tract of the human body. Moreover, the cellular uptake of calcium in Caco-2 cells showed that YL-Ca could enhance calcium uptake efficiency and protect calcium ions against precipitation caused by dietary inhibitors such as tannic acid, oxalate, phytate and metal ions. The findings indicate that the by-product of Schizochytrium sp. is a promising source for making peptide-calcium bio-products as algae-based functional supplements for human beings.

  2. Ion-beam irradiation of Co/Cu nanostructures: Effects on giant magnetoresistance and magnetic properties

    International Nuclear Information System (INIS)

    Cai, M.; Veres, T.; Schiettekatte, F.; Roorda, S.; Cochrane, R.W.

    2004-01-01

    We have studied the effects of ion irradiation at low doses ( 14 ions/cm 2 ) on the structural properties, giant magnetoresistance (GMR), and interlayer magnetic coupling in Co/Cu multilayers. X-ray analysis combined with magnetic and resistivity measurements reveal that intermixing is promoted by ion irradiation while the periodic structure and crystallographic properties of the multilayers are not significantly altered. The GMR ratio of a multilayer decreases monotonically with ion dose. However, thermal annealing on an irradiated multilayer results in sharp recovery of the reduced GMR, and can be associated with a backdiffusion process in metastably intermixed regions. Hence, using ion irradiation and subsequent annealing, the GMR of a single multilayer can be altered reversibly over a wide range. The variation of GMR upon irradiation (or annealing) is accompanied by significant suppression (or improvement) of the antiferromagnetic interlayer coupling. The correlation between GMR and AF coupling, as well as the role of enhanced electron scattering at interfaces during these processes are discussed

  3. Modification of electrical properties of polymer membranes by ion implantation (II)

    International Nuclear Information System (INIS)

    Dworecki, K.; Hasegawa, T.; Sudlitz, K.; Slezak, A.; Wasik, S.

    2001-01-01

    In the present work we report on the results of an experimental study of the electrical properties of polymer ion irradiated polyethylene terephthalate (PET) membranes. The polymer samples have been implanted under vacuum at room temperature with a variety of ions (C 4+ , O 6+ , S 7+ ) at energy of 10 keV/q up to the dose of 10 15 ions/cm 2 and then they were polarized in an electric field of 4.16x10 6 V/m at non-isothermal conditions. The electrical properties and changes in chemical structure of ion implanted membranes were studied by the conductivity and discharge currents measurements, FTIR spectra and differential thermal analysis. The electrical conductivity of the PET membranes is determined by the charge transport caused by free space charge and by thermal releasing of charge carriers. The spectra of thermally induced discharge current (TDC) shows that ion irradiated PET membranes are characterized by high ability of charge accumulation

  4. Selective Detection of Mercury (II) Ion Using Nonlinear Optical Properties of Gold Nanoparticles

    Science.gov (United States)

    Darbha, Gopala Krishna; Singh, Anant Kumar; Rai, Uma Shanker; Yu, Eugene; Yu, Hongtao

    2013-01-01

    Contamination of the environment with heavy metal ions has been an important concern throughout the world for decades. Driven by the need to detect trace amounts of mercury in environmental samples, this article demonstrates for the first time that nonlinear optical (NLO) properties of MPA–HCys–PDCA-modified gold nanoparticles can be used for rapid, easy and reliable screening of Hg(II) ions in aqueous solution, with high sensitivity (5 ppb) and selectivity over competing analytes. The hyper Rayleigh scattering (HRS) intensity increases 10 times after the addition of 20 ppm Hg2+ ions to modified gold nanoparticle solution. The mechanism for HRS intensity change has been discussed in detail using particle size-dependent NLO properties as well as a two-state model. Our results show that the HRS assay for monitoring Hg(II) ions using MPA–HCys–PDCA-modified gold nanoparticles has excellent selectivity over alkali, alkaline earth (Li+, Na+, K+, Mg2+, Ca2+), and transition heavy metal ions (Pb2+, Pb+, Mn2+, Fe2+, Cu2+, Ni2+, Zn2+, Cd2+). PMID:18517205

  5. [(3)H]chlorpromazine photolabeling of the torpedo nicotinic acetylcholine receptor identifies two state-dependent binding sites in the ion channel.

    Science.gov (United States)

    Chiara, David C; Hamouda, Ayman K; Ziebell, Michael R; Mejia, Luis A; Garcia, Galo; Cohen, Jonathan B

    2009-10-27

    Chlorpromazine (CPZ), a potent nicotinic acetylcholine receptor (nAChR) noncompetitive antagonist, binds with higher affinity in the ion channel in the desensitized state than in the closed channel state and with low affinity to additional sites in nAChR-rich membranes. For nAChR equilibrated with agonist, we confirm previous reports that [(3)H]CPZ occupies a site near the cytoplasmic end of the M2 ion channel domain, photolabeling positions M2-2, M2-6, and/or M2-9 in each subunit. We find that [(3)H]CPZ also binds at the extracellular end of the channel, photolabeling amino acids at positions M2-16 (alpha,gamma), M2-17 (alpha,beta,delta), and M2-20 (alpha,beta,delta). The photolabeling at the cytoplasmic end of the channel is fully inhibitable by phencyclidine or proadifen, whereas neither drug inhibits [(3)H]CPZ photolabeling at the extracellular end, establishing that positively charged drugs can bind simultaneously at the cytoplasmic and extracellular ends of the ion channel. [(3)H]CPZ photolabeling is not detected in the transmembrane domain outside the ion channel, but it photolabels alphaMet-386 and alphaSer-393 in the cytoplasmic alphaMA helix. In the nAChR equilibrated with alpha-bungarotoxin to stabilize the nAChR in a closed state, [(3)H]CPZ photolabels amino acids at M2-5 (alpha), M2-6 (alpha,beta,delta), and M2-9 (beta,delta), with no labeling at M2-2. These results provide novel information about the modes of drug binding within the nAChR ion channel and indicate that within the nAChR transmembrane domain, the binding of cationic aromatic amine antagonists can be restricted to the ion channel domain, in contrast to the uncharged, allosteric potentiators and inhibitors that also bind within the delta subunit helix bundle and at subunit interfaces.

  6. Thermodynamic Studies of Cu(I) and Other d10 Metal Ions Binding to Proteins in the Copper Homeostasis Pathway and the Organomercurial Detoxification Pathway

    Science.gov (United States)

    Stevenson, Michael James

    Copper(I) is the predominant oxidation state of this essential metal in living cells due to reducing intracellular conditions. Because of deleterious copper-mediated Fenton chemistry, intracellular copper trafficking pathways involve strict regulation by metallochaperone proteins. Previous studies of the 68-residue metallochaperone, HAH1, have shown that it coordinates Cu(I) with two cysteines for transport from Ctr1 in the cell membrane to ATPases in the Golgi network. Using isothermal titration calorimetry (ITC), and methods to suppress oxidation and disproportionation of Cu(I), the thermodynamics of Cu(I), as well as other metal ions, binding to HAH1 have been accurately quantified. During the course of this study, the Cu(I) binding thermodynamics with the stabilizing ligand hexamethyltrien were determined in order to accurately quantify the Cu(I) binding thermodynamics with proteins, and revealed an unexpected Cu(I) coordination chemistry with this ligand. In addition, HAH1 binding the Cu(I) analogue Ag(I), the abundant cellular metal ion Zn(II), and the thiophilic toxic metal ion Hg(II), have been quantified. The binding thermodynamics of these metal ions were also determined in the presence of glutathione to more accurately model physiological conditions. HAH1 has a high affinity for Cu(I), which is both enthalpically and entropically favorable. It has a substantially lower affinity for Zn(II), which is entropically favored, suggesting that Zn(II) is not able to compete with Cu(I) for HAH1 in vivo. However, HAH1 has an exceptionally high affinity for Hg(II), with its larger thiophilicity, and it will displace Cu(I). Mercury(II) and particularly organomercurial compounds are very toxic, yet proteins from the bacterial mer operon provide resistance to this toxicity. In particular, the organomercurial lyase MerB, whose only known structural homologue is a putative copper metallochaperone, is responsible for cleavage of the carbon-mercury bond of MeHg(II) and

  7. Study on Antibacterial Property of PMMA Denture Base Materials with Negative Ion Powder

    Science.gov (United States)

    Liu, Meitian; Zhang, Xiaohui; Zhang, Jingting; Zheng, Qian; Liu, Bin

    2018-01-01

    To prepare the denture base resin with negative ion powder and evaluate the antibacterial effect of denture base resin with different contents of negative ion powder for clinical application. Method: Denture base material with negative ion powder was prepared by in-situ polymerization method, 50mm * 50mm * 2mm standard samples were prepared respectively. Antibacterial properties were tested with the film contact method. Experimental bacteria: Staphylococcus aureus (ATCC6538), Escherichia coli (ATCC8099).Result:With the increase of the amount of negative ion powder, the inhibition rate of the composite material to Escherichia coli and Staphylococcus aureus showed an increasing trend, and the number of residual bacteria on the surface showed a decreasing trend. When the content of negative ion powder was 2%, the composite material Staphylococcus aureus and Escherichia coli were 77.9% and 80.3% respectively. When the addition ratio was 5%, the bactericidal rate of the composite material to Staphylococcus aureus and Escherichia coli reached 98.2% and 99.1% respectively. Conclusion: The denture base material containing more than 2%wt negative ion powder has strong sterilization.

  8. Modification of mechanical properties of single crystal aluminum oxide by ion beam induced structural changes

    International Nuclear Information System (INIS)

    Ensinger, W.; Nowak, R.; Horino, Y.; Baba, K.

    1993-01-01

    The mechanical behaviour of ceramics is essentially determined by their surface qualities. As a surface modification technique, ion implantation provides the possibility to modify the mechanical properties of ceramics. Highly energetic ions are implanted into the near-surface region of a material and modify its composition and structure. Ions of aluminum, oxygen, nickel and tantalum were implanted into single-crystal α-aluminum oxide. Three-point bending tests showed that an increase in flexural strength of up to 30% could be obtained after implantation of aluminum and oxygen. Nickel and tantalum ion implantation increased the fracture toughness. Indentation tests with Knoop and Vickers diamonds and comparison of the lengths of the developed radial cracks showed that ion implantation leads to a reaction in cracking. The observed effects are assigned to radiation induced structural changes of the ceramic. Ion bombardment leads to radiation damage and formation of compressive stress. In case of tantalum implantation, the implanted near-surface zone becomes amorphous. These effects make the ceramic more resistant to fracture. (orig.)

  9. 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)

  10. Ion transport properties of mechanically stable symmetric ABCBA pentablock copolymers with quaternary ammonium functionalized midblock

    Energy Technology Data Exchange (ETDEWEB)

    Ertem, S. Piril [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Caire, Benjamin R. [Department of Chemical and Biological Engineering, Colorado School of Mines, Golden Colorado 80401; Tsai, Tsung-Han [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Zeng, Di [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Vandiver, Melissa A. [Department of Chemical and Biological Engineering, Colorado School of Mines, Golden Colorado 80401; Kusoglu, Ahmet [Energy Conversion Group, Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley California 94720; Seifert, Soenke [Energy Conversion Group, Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley California 94720; Hayward, Ryan C. [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Weber, Adam Z. [Energy Conversion Group, Energy Technologies Area, Lawrence Berkeley National Laboratory, Berkeley California 94720; Herring, Andrew M. [Department of Chemical and Biological Engineering, Colorado School of Mines, Golden Colorado 80401; Coughlin, E. Bryan [Department of Polymer Science and Engineering, University of Massachusetts Amherst, 120 Governors Drive Amherst Massachusetts 01003; Liberatore, Matthew W. [Department of Chemical Engineering Department, University of Toledo, 2801 W Bancroft Street MS305 Toledo Ohio 43606

    2017-02-07

    Anion exchange membranes (AEMs) are a promising class of materials for applications that require selective ion transport, such as fuel cells, water purification, and electrolysis devices. Studies of structure–morphology–property relationships of ion-exchange membranes revealed that block copolymers exhibit improved ion conductivity and mechanical properties due to their microphase-separated morphologies with well-defined ionic domains. While most studies focused on symmetric diblock or triblock copolymers, here, the first example of a midblock quaternized pentablock AEM is presented. A symmetric ABCBA pentablock copolymer was functionalized to obtain a midblock brominated polymer. Solution cast films were then quaternized to obtain AEMs with resulting ion exchange capacities (IEC) ranging from 0.4 to 0.9 mmol/g. Despite the relatively low IEC, the polymers were highly conductive (up to 60 mS/cm Br2 at 90 8C and 95%RH) with low water absorption (<25 wt %) and maintained adequate mechanical properties in both dry and hydrated conditions. Xray scattering and transmission electron microscopy (TEM) revealed formation of cylindrical non-ionic domains in a connected ionic phase.

  11. Assessing material properties for fusion applications by ion beams

    Science.gov (United States)

    Catarino, N.; Dias, M.; Jepu, I.; Alves, E.

    2017-10-01

    The plasma-facing materials in the ITER divertor area must withstand unusual events, such as the edge-localized modes (ELMS). At the point when an ELM occurs, up to 30% of the energy can be deposited on the plasma-facing boundary in the form of the heat and particle load causing material loss due to sublimation. Tungsten is a promising candidate as a plasma-facing material in the ITER divertor area since it has a high melting point, good thermal conductivity and low sputtering yield, which minimizes the plasma contamination. However their brittleness at low temperatures which is worsened by irradiation is an issue. One strategy to modulate the properties of tungsten is alloying this element with other refractory metals, such as tantalum that shows higher toughness, lower activation and higher radiation resistance. In the present study tungsten-tantalum alloys (W-Ta) were produced by Ta implantation. The fundamental mechanisms which govern the behaviour of defect dynamics in W-Ta materials under reactor conditions, were simulated by the implantation of He and D. The microstructure observations of the W plates that after single Ta implantation revealed crater-like cavities and a more severe effect after D implantation. The effect increase with the increasing of D fluence. However at fluences higher than 1021D/m the effect is reduced. In addition, blistering was observed in W-Ta plates implanted with He. The D retention in the W-Ta alloys increases with the implanted fluence with tendency for saturation for high fluences. Moreover the results show that D retention is higher after sequential He and D implantation than for single D implantation. The diffractogram of W-Ta alloys implanted with He evidenced the presence of broadened W peaks associated with stress induced by irradiation, which may cause internal stress field resulting in a distortion of the crystal lattice. These irradiation defects can be observed in the D release spectra where three peaks are associated

  12. Experimental control of the beam properties of laser-accelerated protons and carbon ions

    Energy Technology Data Exchange (ETDEWEB)

    Amin, Munib

    2008-12-15

    The laser generation of energetic high quality beams of protons and heavier ions has opened up the door to a plethora of applications. These beams are usually generated by the interaction of a short pulse high power laser with a thin metal foil target. They could already be applied to probe transient phenomena in plasmas and to produce warm dense matter by isochoric heating. Other applications such as the production of radioisotopes and tumour radiotherapy need further research to be put into practice. To meet the requirements of each application, the properties of the laser-accelerated particle beams have to be controlled precisely. In this thesis, experimental means to control the beam properties of laser-accelerated protons and carbon ions are investigated. The production and control of proton and carbon ion beams is studied using advanced ion source designs: Experiments concerning mass-limited (i.e. small and isolated) targets are conducted. These targets have the potential to increase both the number and the energy of laser-accelerated protons. Therefore, the influence of the size of a plane foil target on proton beam properties is measured. Furthermore, carbon ion sources are investigated. Carbon ions are of particular interest in the production of warm dense matter and in cancer radiotherapy. The possibility to focus carbon ion beams is investigated and a simple method for the production of quasi-monoenergetic carbon ion beams is presented. This thesis also provides an insight into the physical processes connected to the production and the control of laser-accelerated ions. For this purpose, laser-accelerated protons are employed to probe plasma phenomena on laser-irradiated targets. Electric fields evolving on the surface of laser-irradiated metal foils and hollow metal foil cylinders are investigated. Since these fields can be used to displace, collimate or focus proton beams, understanding their temporal and spatial evolution is crucial for the design of

  13. Experimental control of the beam properties of laser-accelerated protons and carbon ions

    International Nuclear Information System (INIS)

    Amin, Munib

    2008-12-01

    The laser generation of energetic high quality beams of protons and heavier ions has opened up the door to a plethora of applications. These beams are usually generated by the interaction of a short pulse high power laser with a thin metal foil target. They could already be applied to probe transient phenomena in plasmas and to produce warm dense matter by isochoric heating. Other applications such as the production of radioisotopes and tumour radiotherapy need further research to be put into practice. To meet the requirements of each application, the properties of the laser-accelerated particle beams have to be controlled precisely. In this thesis, experimental means to control the beam properties of laser-accelerated protons and carbon ions are investigated. The production and control of proton and carbon ion beams is studied using advanced ion source designs: Experiments concerning mass-limited (i.e. small and isolated) targets are conducted. These targets have the potential to increase both the number and the energy of laser-accelerated protons. Therefore, the influence of the size of a plane foil target on proton beam properties is measured. Furthermore, carbon ion sources are investigated. Carbon ions are of particular interest in the production of warm dense matter and in cancer radiotherapy. The possibility to focus carbon ion beams is investigated and a simple method for the production of quasi-monoenergetic carbon ion beams is presented. This thesis also provides an insight into the physical processes connected to the production and the control of laser-accelerated ions. For this purpose, laser-accelerated protons are employed to probe plasma phenomena on laser-irradiated targets. Electric fields evolving on the surface of laser-irradiated metal foils and hollow metal foil cylinders are investigated. Since these fields can be used to displace, collimate or focus proton beams, understanding their temporal and spatial evolution is crucial for the design of

  14. Synthesis, characterization and luminescent properties of mixed phase bismuth molybdate-doped with Eu3+ ions

    Science.gov (United States)

    Wang, Liyong; Guo, Xiaoqing; Cai, Xiaomeng; Song, Qingwei; Han, Yuanyuan; Jia, Guang

    2018-02-01

    Red phosphors of Eu3+-doped bismuth molybdate (BMO) are prepared by a low temperature hydrothermal method assisting with Phenol Formaldehyde resin (PFr), and characterized by X-ray diffraction (XRD) patterns, Fourier transform infrared-spectroscopy (FT-IR), thermogravimetric analyzer (TGA), differential thermal analyzer (DTA), and photoluminescence (PL) spectroscopy. PL properties influence factors including molar ratio of Bi3+ and Mo3+ ions, PFr dosage and dopants concentration are discussed in detail. The results show that BMO can act as a useful host for Eu3+ ions doping, and energy transferring from Bi3+ to Eu3+ achieved efficiently, the BMO phosphors displayed intense red color emission under ultraviolet light excitation.

  15. Effect of swift heavy ion (SHI) irradiation on dielectric properties of acetoacetanilide crystals

    Energy Technology Data Exchange (ETDEWEB)

    Prabhu, Sharada G.; Mohan Rao, P. E-mail: padakannayamrao@yahoo.com; Avasthi, D.K.; Guptha, Shiuli

    2001-03-01

    Dielectric properties of non-linear organic crystals of acetoacetanilide are studied before and after irradiation. Crystals are irradiated by 120 MeV Ag{sup 13+} ions. The variation of dielectric constant, dielectric loss, ac conductivity and the loss factor of both unirradiated and irradiated samples are measured, at different fluences. The defects produced due to irradiation, cause an increase in dielectric constant. At higher fluence, i.e. 10{sup 12} ions/cm{sup 2}, the defects are found to anneal out.

  16. Recent trends in precision measurements of atomic and nuclear properties with lasers and ion traps

    Energy Technology Data Exchange (ETDEWEB)

    Block, Michael, E-mail: m.block@gsi.de [GSI Helmholtzzentrum für Schwerionenforschung GmbH (Germany)

    2017-11-15

    The X. international workshop on “Application of Lasers and Storage Devices in Atomic Nuclei Research” took place in Poznan in May 2016. It addressed the latest experimental and theoretical achievements in laser and ion trap-based investigations of radionuclides, highly charged ions and antiprotons. The precise determination of atomic and nuclear properties provides a stringent benchmark for theoretical models and eventually leads to a better understanding of the underlying fundamental interactions and symmetries. This article addresses some general trends in this field and highlights select recent achievements presented at the workshop. Many of these are covered in more detail within the individual contributions to this special issue of Hyperfine Interactions.

  17. Recent trends in precision measurements of atomic and nuclear properties with lasers and ion traps

    Science.gov (United States)

    Block, Michael

    2017-11-01

    The X. international workshop on "Application of Lasers and Storage Devices in Atomic Nuclei Research" took place in Poznan in May 2016. It addressed the latest experimental and theoretical achievements in laser and ion trap-based investigations of radionuclides, highly charged ions and antiprotons. The precise determination of atomic and nuclear properties provides a stringent benchmark for theoretical models and eventually leads to a better understanding of the underlying fundamental interactions and symmetries. This article addresses some general trends in this field and highlights select recent achievements presented at the workshop. Many of these are covered in more detail within the individual contributions to this special issue of Hyperfine Interactions.

  18. The Greenland shark Somniosus microcephalus-Hemoglobins and ligand-binding properties.

    Directory of Open Access Journals (Sweden)

    Roberta Russo

    Full Text Available A large amount of data is currently available on the adaptive mechanisms of polar bony fish hemoglobins, but structural information on those of cartilaginous species is scarce. This study presents the first characterisation of the hemoglobin system of one of the longest-living vertebrate species (392 ± 120 years, the Arctic shark Somniosus microcephalus. Three major hemoglobins are found in its red blood cells and are made of two copies of the same α globin combined with two copies of three very similar β subunits. The three hemoglobins show very similar oxygenation and carbonylation properties, which are unaffected by urea, a very important compound in marine elasmobranch physiology. They display identical electronic absorption and resonance Raman spectra, indicating that their heme-pocket structures are identical or highly similar. The quaternary transition equilibrium between the relaxed (R and the tense (T states is more dependent on physiological allosteric effectors than in human hemoglobin, as also demonstrated in polar teleost hemoglobins. Similar to other cartilaginous fishes, we found no evidence for functional differentiation among the three isoforms. The very similar ligand-binding properties suggest that regulatory control of O2 transport may be at the cellular level and that it may involve changes in the cellular concentrations of allosteric effectors and/or variations of other systemic factors. The hemoglobins of this polar shark have evolved adaptive decreases in O2 affinity in comparison to temperate sharks.

  19. Crystal structure and ligand binding properties of the truncated hemoglobin from Geobacillus stearothermophilus.

    Science.gov (United States)

    Ilari, Andrea; Kjelgaard, Peter; von Wachenfeldt, Claes; Catacchio, Bruno; Chiancone, Emilia; Boffi, Alberto

    2007-01-01

    A novel truncated hemoglobin has been identified in the thermophilic bacterium Geobacillus stearothermophilus (Gs-trHb). The protein has been expressed in Escherichia coli, the 3D crystal structure (at 1.5 Angstroms resolution) and the ligand binding properties have been determined. The distal heme pocket displays an array of hydrogen bonding donors to the iron-bound ligands, including Tyr-B10 on one side of the heme pocket and Trp-G8 indole nitrogen on the opposite side. At variance with the highly similar Bacillus subtilis hemoglobin, Gs-trHb is dimeric both in the crystal and in solution and displays several unique structural properties. In the crystal cell, the iron-bound ligand is not homogeneously distributed within each distal site such that oxygen and an acetate anion can be resolved with relative occupancies of 50% each. Accordingly, equilibrium titrations of the oxygenated derivative in solution with acetate anion yield a partially saturated ferric acetate adduct. Moreover, the asymmetric unit contains two subunits and sedimentation velocity ultracentrifugation data confirm that the protein is dimeric.

  20. Study of irradiation effect of Xe+22 and Kr+14 ions on structural properties of Zn nanotubes

    Science.gov (United States)

    Zdorovets, M. V.; Kadyrzhanov, D. B.; Kenzhina, I. E.; Ivanov, I. A.; Kozlovskiy, A. L.

    2018-03-01

    The paper presents the results of synthesis and directed modification of structural properties of Zn nanotubes by irradiating with heavy ions. The nanotubes were obtained by electrochemical deposition in pores of template polymer matrices. It was established using SEM, XRD and EDS methods where irradiation with Xe+22 and Kr+14 ions makes it possible to modify the crystal structure of nanotubes. As a result of irradiation with Xe+22 ions, partial destruction of nanotubes is observed, which indicates an increase in the number of defects in the structure and a decrease in strength properties. Change in the crystal structure parameters is observed when irradiation with Kr+14 ions with fluence below 5  ×  1011 ion cm‑2. That indicates the possibility of using Kr+14 ions for directional modification of nanostructures, while irradiation with Xe+22 ions leads to amorphization and destruction of nanotubes.

  1. SOUL in mouse eyes is a new hexameric heme-binding protein with characteristic optical absorption, resonance Raman spectral, and heme-binding properties.

    Science.gov (United States)

    Sato, Emiko; Sagami, Ikuko; Uchida, Takeshi; Sato, Akira; Kitagawa, Teizo; Igarashi, Jotaro; Shimizu, Toru

    2004-11-09

    SOUL is specifically expressed in the retina and pineal gland and displays more than 40% sequence homology with p22HBP, a heme protein ubiquitously expressed in numerous tissues. SOUL was purified as a dimer in the absence of heme from the Escherichia coli expression system but displayed a hexameric structure upon heme binding. Heme-bound SOUL displayed optical absorption and resonance Raman spectra typical of 6-coordinate low-spin heme protein, with one heme per monomeric unit for both the Fe(III) and Fe(II) complexes. Spectral data additionally suggest that one of the axial ligands of the Fe(III) heme complex is His. Mutation of His42 (the only His of SOUL) to Ala resulted in loss of heme binding, confirming that this residue is an axial ligand of SOUL. The K(d) value of heme for SOUL was estimated as 4.8 x 10(-9) M from the association and dissociation rate constants, suggesting high binding affinity. On the other hand, p22HBP was obtained as a monomer containing one heme per subunit, with a K(d) value of 2.1 x 10(-11) M. Spectra of heme-bound p22HBP were different from those of SOUL but similar to those of heme-bound bovine serum albumin in which heme bound to a hydrophobic cavity with no specific axial ligand coordination. Therefore, the heme-binding properties and coordination structure of SOUL are distinct from those of p22HBP, despite high sequence homology. The physiological role of the new heme-binding protein, SOUL, is further discussed in this report.

  2. MECHANICAL PROPERTIES OF PVA NANOFIBER TEXTILES WITH INCORPORATED NANODIAMONDS, COPPER AND SILVER IONS

    Directory of Open Access Journals (Sweden)

    Kateřina Indrová

    2015-02-01

    Full Text Available The unique properties of nanotextiles based on poly(vinyl-alcohol (PVA manufactured using electrospinning method have been known and exploited for many years. Recently, the enrichment of nanofiber textiles with nanoparticles, such as ions or nanodiamond particles (NDP, has become a popular way to modify the textile mechanical, chemical and physical properties. The aim of our study is to investigate the macromechanical properties of PVA nanotextiles enriched with NDP, silver (Ag and copper (Cu ions. The nanofiber textiles of a various surface weight were prepared from 16% PVA solution, while glyoxal and phosphoric acid were used as cross-linking agents. The copper and silver ions were diluted in aqueous solution and NDP were dispersed into the fibers by ultrasound homogenization. All but one set of samples were exposed to the temperature of 140 °C for 10 minutes. The samples without thermal stabilization exhibited significantly lower elastic stiffness and tensile strength. Moreover, the results of tensile testing indicate that the addition of dispersed nanoparticles has a minor effect on the mechanical properties of textiles and contributes rather to their reinforcement. On the other hand, the lack of thermal stabilization results in a poor interconnection of individual nanofiber layers and the non-stabilized textiles exhibit a lower elastic stiffness and reduced tensile strength.

  3. Influence of implantation of three metallic ions on the mechanical properties of two polymers

    Energy Technology Data Exchange (ETDEWEB)

    Swain, M.V. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), Lindfield, NSW (Australia). Div. of Applied Physics; Perry, A.J. [Australian National Univ., Canberra, ACT (Australia); Treglio, J.R.

    1996-12-31

    Ion implantation of poly ethylene terephthalate (PET) and polystyrene (PS) with various high energy metallic ions at 70 kV to dose of 3 x 10{sup 16} ions/cm 2 have been made. Measurements of the mechanical properties of the polymers before and after implantation have been made with an ultra microindentation system using both pointed and a small (2 nm) radiused spherical tipped indenter. Significant differences have been observed between the Ti-B dual implanted surfaces and those of the Au and W implanted surfaces. For both the PET and PS the resistance to indenter penetration at very low loads was much greater for the Ti-B dual implanted surfaces. The estimated hardness and modulus versus depth of penetration for both indenters shows that the spherical indenter produces more consistent and less controversial values that are somewhat lower than the optimistic estimates from pointed indenters. 8 refs., 2 fig.

  4. Effects of ion irradiation on the mechanical properties of several polymers

    International Nuclear Information System (INIS)

    Sasuga, Tsuneo; Kawanishi, Shunichi; Nishi, Masanobu; Seguchi, Tadao

    1991-01-01

    The effects of high-energy ion irradiation on the tensile properties of polymers were studied under conditions in which ions should pass completely through the specimen and the results were compared with 2 MeV electron irradiation effects. Experiments were carried out on polymers having various constituents and molecular structures, i.e. eight aliphatic polymers and four aromatic polymers. In the aliphatic polymers studied there was scarcely any difference in the dose dependence of the tensile strength and ultimate elongation between proton and electron irradiation. In the aromatic polymers, however, the decrements in the tensile strength and ultimate elongation vs proton dose were less than those for electron irradiation. In heavy-ion irradiation, the radiation damage of PE (an aliphatic polymer) decreased with increase of LET, but no obvious LET effects were observed in PES (an aromatic polymer). (author)

  5. Electrochemically Controlled Ion-exchange Property of Carbon Nanotubes/Polypyrrole Nanocomposite in Various Electrolyte Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Daiwon [Pacific Northwest National Laboratory, 902 Battelle Boulevard P.O. Box 999 Richland WA 99352 USA; Zhu, Chengzhou [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States; Fu, Shaofang [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States; Du, Dan [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States; Engelhard, Mark H. [Pacific Northwest National Laboratory, 902 Battelle Boulevard P.O. Box 999 Richland WA 99352 USA; Lin, Yuehe [Pacific Northwest National Laboratory, 902 Battelle Boulevard P.O. Box 999 Richland WA 99352 USA; School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 United States

    2016-09-15

    The electrochemically controlled ion-exchange properties of multi-wall carbon nanotube (MWNT)/electronically conductive polypyrrole (PPy) polymer composite in the various electrolyte solutions have been investigated. The ion-exchange behavior, rate and capacity of the electrochemically deposited polypyrrole with and without carbon nanotube (CNT) were compared and characterized using cyclic voltammetry (CV), chronoamperometry (CA), electrochemical quartz crystal microbalance (EQCM), X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). It has been found that the presence of carbon nanotube backbone resulted in improvement in ion-exchange rate, stability of polypyrrole, and higher anion loading capacity per PPy due to higher surface area, electronic conductivity, porous structure of thin film, and thinner film thickness providing shorter diffusion path. Chronoamperometric studies show that electrically switched anion exchange could be completed more than 10 times faster than pure PPy thin film. The anion selectivity of CNT/PPy film is demonstrated using X-ray photoelectron spectroscopy (XPS).

  6. Optical and magnetic properties of Yb ion-doped cobalt-based ZnO ...

    Indian Academy of Sciences (India)

    Administrator

    ture (RT).2 The ZnO-based semiconductors have been demonstrated as an ideal DMS material due to high solu- bility of transition metals (TMs), good semiconducting properties, wide bandgap (3.27 eV) and large exciton binding energy (60 meV) compared to the various materi- als such as Mn-doped GaAs and Mn-doped ...

  7. Binding Affinity of a Highly Sensitive Au/Ag/Au/Chitosan-Graphene Oxide Sensor Based on Direct Detection of Pb2+ and Hg2+ Ions

    Directory of Open Access Journals (Sweden)

    Nur Hasiba Kamaruddin

    2017-10-01

    Full Text Available The study of binding affinity is essential in surface plasmon resonance (SPR sensing because it allows researchers to quantify the affinity between the analyte and immobilised ligands of an SPR sensor. In this study, we demonstrate the derivation of the binding affinity constant, K, for Pb2+ and Hg2+ ions according to their SPR response using a gold/silver/gold/chitosan–graphene oxide (Au/Ag/Au/CS–GO sensor for the concentration range of 0.1–5 ppm. The higher affinity of Pb2+ to binding with the CS–GO sensor explains the outstanding sensitivity of 2.05 °ppm−1 against 1.66 °ppm−1 of Hg2+. The maximum signal-to-noise ratio (SNR upon detection of Pb2+ is 1.53, and exceeds the suggested logical criterion of an SNR. The Au/Ag/Au/CS–GO SPR sensor also exhibits excellent repeatability in Pb2+ due to the strong bond between its functional groups and this cation. The adsorption data of Pb2+ and Hg2+ on the CS–GO sensor fits well with the Langmuir isotherm model where the affinity constant, K, of Pb2+ and Hg2+ ions is computed. The affinity of Pb2+ ions to the Au/Ag/Au/CS–GO sensor is significantly higher than that of Hg2+ based on the value of K, 7 × 105 M−1 and 4 × 105 M−1, respectively. The higher shift in SPR angles due to Pb2+ and Hg2+ compared to Cr3+, Cu2+ and Zn2+ ions also reveals the greater affinity of the CS–GO SPR sensor to them, thus supporting the rationale for obtaining K for these two heavy metals. This study provides a better understanding on the sensing performance of such sensors in detecting heavy metal ions.

  8. Effects of Metal Ions on Stability and Activity of Hyperthermophilic Pyrolysin and Further Stabilization of This Enzyme by Modification of a Ca2+-Binding Site

    OpenAIRE

    Zeng, Jing; Gao, Xiaowei; Dai, Zheng; Tang, Bing; Tang, Xiao-Feng

    2014-01-01

    Pyrolysin is an extracellular subtilase produced by the marine hyperthermophilic archaeon Pyrococcus furiosus. This enzyme functions at high temperatures in seawater, but little is known about the effects of metal ions on the properties of pyrolysin. Here, we report that the supplementation of Na+, Ca2+, or Mg2+ salts at concentrations similar to those in seawater destabilizes recombinant pyrolysin but leads to an increase in enzyme activity. The destabilizing effect of metal ions on pyrolysi...

  9. Ionic core–shell dendrimers with a polycationic core: structural aspects and host–guest binding properties

    NARCIS (Netherlands)

    van de Coevering, R.; Bruijnincx, P.C.A.; Lutz, M.; Spek, A.L.; van Koten, G.; Klein Gebbink, R.J.M.

    2007-01-01

    The structural aspects and host–guest binding properties of ionic core–shell dendrimers [1]Br8 and [2]Br4, which bear a polycationic core and a neutral shell of Fréchet-type poly(benzyl aryl ether) dendrons, have been investigated by means of dendritic wedges [3]Br2 and [4]Br, that resemble one of

  10. A cDNA encoding a pRB-binding protein with properties of the transcription factor E2F

    DEFF Research Database (Denmark)

    Helin, K; Lees, J A; Vidal, M

    1992-01-01

    The retinoblastoma protein (pRB) plays an important role in the control of cell proliferation, apparently by binding to and regulating cellular transcription factors such as E2F. Here we describe the characterization of a cDNA clone that encodes a protein with properties of E2F. This clone, RBP3...

  11. Catalytic properties of two Rhizopus oryzae 99-880 glucoamylase enzymes without starch binding domains expressed in Pichia pastoris

    Science.gov (United States)

    Catalytic properties of the two glucoamylases, AmyC and AmyD, without starch binding domains from Rhizopus oryzae strain 99-880 were heterologously expressed and purified to homogeneity. AmyC and AmyD demonstrate pH optima of 5.5 and 6.0, respectively, nearly 1 unit higher than most fungal glucoamy...

  12. Optical properties of K9 glass waveguides fabricated by using carbon-ion implantation

    Science.gov (United States)

    Liu, Chun-Xiao; Wei, Wei; Fu, Li-Li; Zhu, Xu-Feng; Guo, Hai-Tao; Li, Wei-Nan; Lin, She-Bao

    2016-07-01

    K9 glass is a material with promising properties that make it attractive for optical devices. Ion implantation is a powerful technique to form waveguides with controllable depth and refractive index profile. In this work, optical planar waveguide structures were fabricated in K9 glasses by using 6.0-MeV C3+-ion implantation with a fluence of 1.0 × 1015 ions/cm2. The effective refractive indices of the guided modes were measured by using a prism-coupling system. The refractive index change in the ion-irradiated region was simulated by using the intensity calculation method. The modal intensity profile of the waveguide was calculated and measured by using the finite difference beam propagation method and the end-face coupling technique, respectively. The transmission spectra before and after the implantation showed that the main absorption band was not influenced by the low fluence dopants. The optical properties of the carbon-implanted K9 glass waveguides show promise for use as integrated photonic devices.

  13. The biomedical properties of polyethylene terephthalate surface modified by silver ion implantation

    International Nuclear Information System (INIS)

    Wang Jin; Li Jianxin; Shen Liru; Ling Ren; Xu Zejin; Zhao Ansha; Leng Yongxiang; Huang Nan

    2007-01-01

    Polyethylene terephthalate (PET) film is modified by Ag ion implantation with a fluence 1 x 10 16 ions/cm 2 . The results of X-Ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) indicate that silver has been successfully implanted into the surface of PET. The PET samples modified by silver ion implantation have significantly bactericidal property. The capacity of the staphylococcus epidermidis (SE) adhered on the Ag + implanted PET surface is 5.3 x 10 6 CFU/ml, but the capacity of the SE adhered on the untreated PET film is 2.23 x 10 7 CFU/ml. The thromboembolic property is evaluated by in vitro platelet adhesion test, and there is not statistically difference between the untreated PET and the Ag + implanted PET for the number of adhered and activated platelets. The PET implanted by silver ion has not acute toxicity to endothelial cell (EC) which was evaluated by the release of lactate dehydrogenase (LDH) test

  14. Swift heavy ion induced modifications in optical and electrical properties of cadmium selenide thin films

    Science.gov (United States)

    Choudhary, Ritika; Chauhan, Rishi Pal

    2017-07-01

    The modification in various properties of thin films using high energetic ion beam is an exciting area of basic and applied research in semiconductors. In the present investigations, cadmium selenide (CdSe) thin films were deposited on ITO substrate using electrodeposition technique. To study the swift heavy ion (SHI) induced effects, the deposited thin films were irradiated with 120 MeV heavy Ag9+ ions using pelletron accelerator facility at IUAC, New Delhi, India. Structural phase transformation in CdSe thin film from metastable cubic phase to stable hexagonal phase was observed after irradiation leading to decrease in the band gap from 2.47 eV to 2.12 eV. The phase transformation was analyzed through X-ray diffraction patterns. During SHI irradiation, Generation of high temperature and pressure by thermal spike along the trajectory of incident ions in the thin films might be responsible for modification in the properties of thin films.[Figure not available: see fulltext.

  15. Self-sputtering during ion precipitation and its influence on niobium film properties

    International Nuclear Information System (INIS)

    Belevskij, V.P.; Gusev, I.V.

    1987-01-01

    Cathode sputtering of niobium films under conditions of vacuum condensation with simultaneous Nb + ion bombardment at energy of E n =(1.6...6.4)x10 -16 J is studied. Calculation of experimental values of the sputtering coefficient S Nb is performed with respect to the film thickness in the field of action of a niobium ion beam. Using the four-probe method in helium cryostats superconducting properties are studied and the film texture is determined by the X ray diffraction analysis. With the E n growth S Nb increases from 1.1 to 3.1. The best correspondence of the experimental dependence S Nb (E n ) is provided by the semiempirical formula of Yamamura Y. et al. The consequence of the S Nb increase is a sharp decrease of the effective condensation rate v eff . In case of niobium condensation at v eff m , where v m is the velocity of movement of a quasidiffusive boundary of impurities from the substrate according to the model of ion mixing developed by Carter G. and Armour D. suppresion of texture formation and deterioration of superconducting properties of superthin films (about 10 nm) is observed that results from ion mixing of the film and substrate materials on the interface. For such condensation conditions the substrate itself is the main source of impurities in the film

  16. Retention of silver nano-particles and silver ions in calcareous soils: Influence of soil properties.

    Science.gov (United States)

    Rahmatpour, Samaneh; Shirvani, Mehran; Mosaddeghi, Mohammad R; Bazarganipour, Mehdi

    2017-05-15

    The rapid production and application of silver nanoparticles (AgNPs) have led to significant release of AgNPs into the terrestrial environments. Once released into the soil, AgNPs could enter into different interactions with soil particles which play key roles in controlling the fate and transport of these nanoparticles. In spite of that, experimental studies on the retention of AgNPs in soils are very scarce. Hence, the key objective of this research was to find out the retention behavior of AgNPs and Ag(I) ions in a range of calcareous soils. A second objective was to determine the extent to which the physico-chemical properties of the soils influence the Ag retention parameters. To this end, isothermal batch experiments were used to determine the retention of Poly(vinylpyrrolidinone)-capped AgNPs (PVP-AgNPs) and Ag(I) ions by nine calcareous soils with a diversity of physico-chemical properties. The results revealed that the retention data for both PVP-AgNPs and Ag(I) ions were well described by the classical Freundlich and Langmuir isothermal equations. The retention of PVP-AgNPs and Ag(I) ions was positively correlated to clay and organic carbon (OC) contents as well as electrical conductivity (EC), pH, and cation exchange capacity (CEC) of the soils. Due to multicolinearity among the soil properties, principal component analysis (PCA) was used to group the soil properties which affect the retention of PVP-AgNPs and Ag(I) ions. Accordingly, we identified two groups of soil properties controlling retention of PVP-AgNPs and Ag(I) ions in the calcareous soils. The first group comprised soil solid phase parameters like clay, OC, and CEC, which generally control hetero-aggregation and adsorption reactions and the second group included soil solution variables such as EC and pH as well as Cl - and Ca 2+ concentrations, which are supposed to mainly affect homo-aggregation and precipitation reactions. Copyright © 2017. Published by Elsevier Ltd.

  17. Electrochemical lithium-ion storage properties of quinone molecules encapsulated in single-walled carbon nanotubes.

    Science.gov (United States)

    Ishii, Yosuke; Tashiro, Kosuke; Hosoe, Kento; Al-Zubaidi, Ayar; Kawasaki, Shinji

    2016-04-21

    We investigated the electrochemical lithium-ion storage properties of 9,10-anthraquinone (AQ) and 9,10-phenanthrenequinone (PhQ) molecules encapsulated in the inner hollow core of single-walled carbon nanotubes (SWCNTs). The structural properties of the obtained encapsulated systems were characterized by electron microscopy, synchrotron powder X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy. We found that almost all quinone molecules encapsulated in the SWCNTs can store Li-ions reversibly. Interestingly, the undesired capacity fading, which comes from the dissolution of quinone molecules into the electrolyte, was suppressed by the encapsulation. It was also found that the overpotential of AQ was decreased by the encapsulation, probably due to the high-electric conductivity of SWCNTs.

  18. Optical properties of 3d-ions in crystals spectroscopy and crystal field analysis

    CERN Document Server

    Brik, Mikhail

    2013-01-01

    "Optical Properties of 3d-Ions in Crystals: Spectroscopy and Crystal Field Analysis" discusses spectral, vibronic and magnetic properties of 3d-ions in a wide range of crystals, used as active media for solid state lasers and potential candidates for this role. Crystal field calculations (including first-principles calculations of energy levels and absorption spectra) and their comparison with experimental spectra, the Jahn-Teller effect, analysis of vibronic spectra, materials science applications are systematically presented. The book is intended for researchers and graduate students in crystal spectroscopy, materials science and optical applications. Dr. N.M. Avram is an Emeritus Professor at the Physics Department, West University of Timisoara, Romania; Dr. M.G. Brik is a Professor at the Institute of Physics, University of Tartu, Estonia.

  19. Nonlinear optical properties of Cu nanoclusters by ion implantation in silicate glass

    Science.gov (United States)

    Wang, Y. H.; Wang, Y. M.; Lu, J. D.; Ji, L. L.; Zang, R. G.; Wang, R. W.

    2010-02-01

    Metal nanocluster composite glass prepared by 180 keV Cu ions into silica with dose of 1 × 10 17 ions/cm 2 has been studied. The microstructural properties of the nanoclusters were analysed by optical absorption spectra and transmission electron microscopy (TEM). Third-order nonlinear optical properties of the nanoclusters were measured at 1064 nm and 532 nm excitations using Z-scan technique. The nonlinear refraction index, nonlinear absorption coefficient, and the real and imaginary parts of the third-order nonlinear susceptibility were deduced. The mechanisms responsible for the nonlinear response were discussed. Absolute third-order nonlinear susceptibility χ of this kind of sample was determined to be 2.1 × 10 -7 esu at 532 nm and 1.2 × 10 -7 esu at 1064 nm, respectively.

  20. Nonlinear optical properties of Cu nanocluster composite fabricated by 180 keV ion implantation

    Science.gov (United States)

    Wang, Y. H.; Wang, Y. M.; Lu, J. D.; Ji, L. L.; Zang, R. G.; Wang, R. W.

    2009-11-01

    Metal nanocluster composite glass prepared by 180 keV Cu ions into silica with dose of 5×10 16 ions/cm 2 has been studied. The microstructural properties of the nanoclusters has been verified by optical absorption spectra and transmission electron microscopy (TEM). Third-order nonlinear optical properties of the nanoclusters were measured at 1064 and 532 nm excitations using Z-scan technique. The nonlinear refraction index, nonlinear absorption coefficient, and the real and imaginary parts of the third-order nonlinear susceptibility were deduced. Results of the investigation of nonlinear refraction by the off-axis Z-scan configuration were presented and the mechanisms responsible for the nonlinear response were discussed. Third-order nonlinear susceptibility χ(3) of this kind of sample was determined to be 8.7×10 -8 esu at 532 nm and 6.0×10 -8 esu at 1064 nm, respectively.

  1. Effects of ion irradiation on microstructure and properties of zirconium alloys—A review

    Directory of Open Access Journals (Sweden)

    Chunguang Yan

    2015-04-01

    Full Text Available Zirconium alloys are widely used in nuclear reactors as structural materials. During the operation, they are exposed to fast neutrons. Ion irradiation is used to simulate the damage introduced by neutron irradiation. In this article, we briefly review the neutron irradiation damage of zirconium alloys, then summarize the effect of ion irradiation on microstructural evolution, mechanical and corrosion properties, and their relationships. The microstructure components consist of dislocation loops, second phase precipitates, and gas bubbles. The microstructure parameters are also included such as domain size and microstrain determined by X-ray diffraction and the S-parameter determined by positron annihilation. Understanding the relationships of microstructure and properties is necessary for developing new advanced materials with higher irradiation tolerance.

  2. Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation

    DEFF Research Database (Denmark)

    Pedersen, Kasper Steen; Ungur, Liviu; Sigrist, Marc

    2014-01-01

    We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral ligand sphere but exhibit similar first coordination spheres by inelastic neutron scattering (INS) and SQUID magnetometry. The INS spectra of the three compounds are profo......We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral ligand sphere but exhibit similar first coordination spheres by inelastic neutron scattering (INS) and SQUID magnetometry. The INS spectra of the three compounds...... allows for the extraction of the sign and magnitude of all symmetry-allowed Stevens parameters. The parameter values and the energy spectrum derived from INS are compared to the results of state-of-the-art ab initio CASSCF calculations. Temperature-dependent alternating current (ac) susceptibility...... measurements suggest that the magnetisation relaxation in the investigated temperature range of 1.9 K

  3. Process for improving mechanical properties of epoxy resins by addition of cobalt ions

    Science.gov (United States)

    Stoakley, D. M.; St.clair, A. K. (Inventor)

    1984-01-01

    A resin product useful as an adhesive, composite or casting resin is described as well as the process used in its preparation to improve its flexural strength mechanical property characteristics. Improved flexural strength is attained with little or no change in density, thermal stability or moisture resistance by chemically incorporating 1.2% to 10.6% by weight Co(3) ions in an epoxidized resin system.

  4. Importance of the alphaC-helix in the cyclic nucleotide binding domain for the stable channel regulation and function of cyclic nucleotide gated ion channels in Arabidopsis.

    Science.gov (United States)

    Chin, Kimberley; Moeder, Wolfgang; Abdel-Hamid, Huda; Shahinas, Dea; Gupta, Deepali; Yoshioka, Keiko

    2010-05-01

    The involvement of cyclic nucleotide gated ion channels (CNGCs) in the signal transduction of animal light and odorant perception is well documented. Although plant CNGCs have recently been revealed to mediate multiple stress responses and developmental pathways, studies that aim to elucidate their structural and regulatory properties are still very much in their infancy. The structure-function relationship of plant CNGCs was investigated here by using the chimeric Arabidopsis AtCNGC11/12 gene that induces multiple defence responses in the Arabidopsis mutant constitutive expresser of PR genes 22 (cpr22) for the identification of functionally essential residues. A genetic screen for mutants that suppress cpr22-conferred phenotypes identified over 20 novel mutant alleles in AtCNGC11/12. One of these mutants, suppressor S58 possesses a single amino acid substitution, arginine 557 to cysteine, in the alphaC-helix of the cyclic nucleotide-binding domain (CNBD). The suppressor S58 lost all cpr22 related phenotypes, such as spontaneous cell death formation under ambient temperature conditions. However, these phenotypes were recovered at 16 degrees C suggesting that the stability of channel function is affected by temperature. In silico modelling and site-directed mutagenesis analyses suggest that arginine 557 in the alphaC-helix of the CNBD is important for channel regulation, but not for basic function. Furthermore, another suppressor mutant, S136 that lacks the entire alphaC-helix due to a premature stop codon, lost channel function completely. Our data presented here indicate that the alphaC-helix is functionally important in plant CNGCs.

  5. Interpretation with a Donnan-based concept of the influence of simple salt concentration on the apparent binding of divalent ions to the polyelectrolytes polystyrenesulfonate and dextran sulfate

    Science.gov (United States)

    Marinsky, J.A.; Baldwin, Robert F.; Reddy, M.M.

    1985-01-01

    It has been shown that the apparent enhancement of divalent metal ion binding to polyions such as polystyrenesulfonate (PSS) and dextran sulfate (DS) by decreasing the ionic strength of these mixed counterion systems (M2+, M+, X-, polyion) can be anticipated with the Donnan-based model developed by one of us (J.A.M.). Ion-exchange distribution methods have been employed to measure the removal by the polyion of trace divalent metal ion from simple salt (NaClO4)-polyion (NaPSS) mixtures. These data and polyion interaction data published earlier by Mattai and Kwak for the mixed counterion systems MgCl2-LiCl-DS and MgCl2-CsCl-DS have been shown to be amenable to rather precise analysis by this model. ?? 1985 American Chemical Society.

  6. 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

  7. 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.

  8. Influence of binding material of PZT coating on microresonator's electrical and mechanical properties

    Science.gov (United States)

    Janusas, Giedrius; Guobiene, Asta; Palevicius, Arvydas; Brunius, Alfredas; Cekas, Elingas; Baltrusaitis, Valentinas; Sakalys, Rokas

    2017-06-01

    Microresonators are fundamental components integrated in hosts of MEMS applications: covering the automotive sector, the telecommunication industry, electronic equipment for surface/material characterization and motion sensing, and etc. The aim of this paper is to investigate the mechanical and electrical properties of PZT film fabricated with three binding materials: polyvinyl butyral (PVB), polymethyl methacrylate (PMMA) and polystyrene (PS) and to evaluate applicability in control of microresonators Q factor. Micro particles of PZT powder were mixed with 20% solution of PVB, PMMA and PS in benzyl alcohol. For investigation of mechanical and electrical properties multilayer cantilevers were made. Obtained PZT and polymer paste was screen printed on copper (thickness 40 μm) using polyester monofilament screen meshes (layer thickness 50 μm) and dried for 30 min at 100°C. Electric dipoles of the PZT particles in composite material were aligned using high voltage generator (5 kV) and a custom-made holder. Electric field was held for 30 min. Surfaces of the applied films were investigated by Atomic Force Microscope NanoWizard(R)3 NanoScience. Dynamic and electrical characteristics of the multilayer were investigated using laser triangular displacement sensor LK-G3000. The measured vibration amplitude and generated electrical potential was collected with USB oscilloscope PicoScope 3424. As the results showed, these cantilevers were able to transform mechanical strain energy into electric potential and, v.v. However, roughness of PZT coatings with PMMA and PS were higher, what could be the reason of the worse quality of the top electrode. However, the main advantage of the created composite piezoelectric material is the possibility to apply it on any uniform or non-uniform vibrating surface and to transform low frequency vibrations into electricity.

  9. Physics of aerosols - Second part: nucleation-condensation-ions-electrification-optical properties

    International Nuclear Information System (INIS)

    Bricard, Jean

    1977-01-01

    This report is made of two volumes. Volume 1 includes the general properties of aerosols, the fundamentals of the theory of gases and mechanics are related to particle suspensions, ant the theories of diffusion and coagulation with their applications to atmospheric aerosols. Volume 2 begins with a chapter on nucleation (gas-particle conversion) in the case of one vapor, then two vapors, followed by the theory of aerosol evaporation. The following two chapters are devoted to the study of ions and their attachment to aerosol particles. Finally their optical properties are stated in the last chapter

  10. Formation, properties, and ion irradiation effects of hexagonal structure MoN thin films

    International Nuclear Information System (INIS)

    Christen, D.K.; Sekula, S.T.; Ellis, J.T.; Lewis, J.D.; Williams, J.M.

    1986-09-01

    Thin films (100-120 nm) of hexagonal structures MoN have been fabricated by reaction of Mo films in an NH 3 atmosphere. The as-formed films possessed superconducting transition temperatures T/sub c/ ≅ 13 0 K, with resistance ratios r = R(296K)/R(T/sub c/) in the range 5 to 10, low-temperature normal state resistivities rho 0 = 4 to 10 μΩ-cm, and extrapolated upper critical fields H/sub c2/(0) = 4.0 to 5.0 T. Thin film x-ray diffraction patterns revealed no visible second phase, with measured lattice parameters close to literature values. The effects of lattice disorder on the superconducting and electronic properties were investigated by irradiation with nitrogen ions of energy 45 and 340 keV, resulting in a nearly uniform damage profile without the introduction of any new chemical species. The results indicate that ordered hexagonal MoN shows some of the unusual properties characteristic of moderate-to-high T/sub c/ transition metal compounds, but is relatively insensitive to degradation of the superconducting properties by lattice disorder. For ion fluences PHI up to 2 x 10 16 N-ions/cm 2 , T/sub c/ is found to decrease monotonically and saturate at 9.5 0 K, almost 3/4 the initial value, while H/sub c2/(0) undergoes a gradual increase to 11T

  11. Synthesis, photochemistry, DNA cleavage/binding and cytotoxic properties of fluorescent quinoxaline and quinoline hydroperoxides.

    Science.gov (United States)

    Chowdhury, Nilanjana; Gangopadhyay, Moumita; Karthik, S; Pradeep Singh, N D; Baidya, Mithu; Ghosh, S K

    2014-01-05

    Novel fluorescent quinoxaline and quinoline hydroperoxides were shown to perform dual role as both fluorophores for cell imaging and photoinduced DNA cleaving agents. Photophysical studies of newly synthesized quinoxaline and quinoline hydroperoxides showed that they all exhibited moderate to good fluorescence. Photolysis of quinoxaline and quinoline hydroperoxides in acetonitrile using UV light above 350nm resulted in the formation of corresponding ester compounds via γ-hydrogen abstraction by excited carbonyl chromophore. Single strand DNA cleavage was achieved on irradiation of newly synthesized hydroperoxides by UV light (⩾350nm). Both hydroxyl radicals and singlet oxygen were identified as reactive oxygen species (ROS) responsible for the DNA cleavage. Further, we showed quinoline hydroperoxide binds to ct-DNA via intercalative mode. In vitro biological studies revealed that quinoline hydroperoxide has good biocompatibility, cellular uptake property and cell imaging ability. Finally, we showed that quinoline hydroperoxide can permeate into cells efficiently and may cause cytotoxicity upon irradiation by UV light. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. The effect of annatto on insulin binding properties in the dog.

    Science.gov (United States)

    Russell, K R M; Morrison, E Y St A; Ragoobirsingh, D

    2005-05-01

    Various plants are used in Caribbean folklore for the treatment of a variety of illnesses including diabetes mellitus. Preliminary investigations of several crude plant extracts have indicated that the annatto (Bixa orellana), among others, does in fact exhibit hypoglycaemic properties. This present investigation sought to isolate the hypoglycaemic principle(s) from the crude extract and to determine the mechanism of action. Purification experiments employing thin layer chromatography (TLC) and high performance liquid chromatography (HPLC) resulted in an oil-soluble, partially purified annatto extract. The latter caused a decrease in blood glucose level of 5.62+/-0.13 (n=34) mmol/dL versus 6.31+/-0.12 (n=34) for the control (pannatto and compared with the control. Plasma insulin levels measured at 1.0 h showed that there was an increase in plasma insulin levels of 59.57+/-8.3 microIU/mL for the annatto treated dogs versus 40.95+/-5.46 microIU/mL for the control (pannatto treated dogs versus 1.2+/-0.2x10(8) m-1 for the control (pannatto is responsible for the hypoglycaemic episodes seen in the dogs which was mediated by an increase in plasma insulin concentration as well as an increase in insulin binding on the insulin receptor due to elevated affinity of the ligand for the receptor. Copyright (c) 2005 John Wiley & Sons, Ltd.

  13. Nucleic acid binding properties and intermediates of HCV core protein multimerization in Pichia pastoris

    International Nuclear Information System (INIS)

    Acosta-Rivero, Nelson; Rodriguez, Armando; Musacchio, Alexis; Falcon, Viviana; Suarez, Viana M.; Chavez, Liudmila; Morales-Grillo, Juan; Duenas-Carrera, Santiago

    2004-01-01

    Little is known about the in vivo assembly pathway or structure of the hepatitis C virus nucleocapsid. In this work the intermediates of HCcAg multimerization in Pichia pastoris cells and the nucleic acid binding properties of structured nucleocapsid-like particles (NLPs) were studied. Extensive cross-linking was observed for HCcAg after glutaraldehyde treatment. Data suggest that HCcAg exists in dimeric forms probably representing P21-P21, P21-P23, and P23-P23 dimers. In addition, the presence of HCcAg species that might represent trimers and multimers was observed. After sucrose equilibrium density gradient purification and nuclease digestion, NLPs were shown to contain both RNA and DNA molecules. Finally, the analysis by electron microscopy indicated that native NLPs were resistant to nuclease treatment. These results indicated that HCcAg assembles through dimers, trimers, and multimers' intermediates into capsids in P. pastoris cells. Assembly of NLPs in its natural environment might confer stability to these particles by adopting a compact structure

  14. ions

    African Journals Online (AJOL)

    (MP2 B2). In order to draw the final conclusion about the content of the isomers of pentaatomic ions in saturated vapor over cesium chloride, we have taken into account the entropy factor. We considered the isomerization reactions which are given below: Cs3Cl2. + (V-shaped) = Cs3Cl2. + (cyclic or bipyramidal). (1). Cs2Cl3.

  15. Proton and gallium(III) binding properties of a biologically active salicylidene acylhydrazide.

    Science.gov (United States)

    Hakobyan, Shoghik; Boily, Jean-François; Ramstedt, Madeleine

    2014-09-01

    Bacterial biofilm formation causes a range of problems in our society, especially in health care. Salicylidene acylhydrazides (hydrazones) are promising antivirulence drugs targeting secretion systems used during bacterial infection of host cells. When mixed with the gallium ion they become especially potent as bacterial and biofilm growth-suppressing agents, although the mechanisms through which this occurs are not fully understood. At the base of this uncertainty lies the nature of hydrazone-metal interactions. This study addresses this issue by resolving the equilibrium speciation of hydrazone-gallium aqueous solutions. The protonation constants of the target 2-oxo-2-[N-(2,4,6-trihydroxy-benzylidene)-hydrazino]-acetamide (ME0163) hydrazone species and of its 2,4,6-trihydroxybenzaldehyde and oxamic acid hydrazide building blocks were determined by UV-visible spectrophotometry to achieve this goal. These studies show that the hydrazone is an excessively strong complexing agent for gallium and that its antivirulence properties are predominantly ascribed to monomeric 1:1Ga-ME0163 complexes of various Ga hydrolysis and ME0163 protonation states. The chelation of Ga(III) to the hydrazone also increased the stability of the compounds against acid-induced hydrolysis, making this group of compounds very interesting for biological applications where the Fe-antagonist action of both Ga(III) and the hydrazone can be combined for enhanced biological effect. Copyright © 2014. Published by Elsevier Inc.

  16. Modifications in physico-chemical properties of 100 MeV oxygen ions irradiated polyimide Kapton-H polymer

    Science.gov (United States)

    Gupta, Sanjeev Kumar; Gupta, Rashi; Singh, Paramjit; Kumar, Vikas; Jaiswal, Manoj Kumar; Chakarvarti, S. K.; Kumar, Rajesh

    2017-09-01

    The optical, structural and chemical properties of polyimide Kapton-H polymer thin film samples were modified by irradiation with 100 MeV O7+ ions (in the fluence range of 1 × 1011 to 5 × 1012 ions/cm2) and the modifications of these properties were observed by UV-visible (UV-Vis) spectroscopy, X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy respectively. The band gap energy of the polymer decreased considerably with discrete increment of the ion fluence (different fluence for each sample) and effective change for the sample irradiated at a fluence of 5 × 1012 ions/cm2 was observed from that of pristine sample. The amorphous nature of the polymer was observed to be decreased with increase of ion fluence. The vibrations of Ctbnd C appeared at mid fluences but the stretching vibrations of Osbnd H bond disappeared at these fluences due to the high LET of the oxygen ions.

  17. Removing adsorbed heavy metal ions from sand surfaces via applying interfacial properties of rhamnolipid.

    Science.gov (United States)

    Haryanto, Bode; Chang, Chien-Hsiang

    2015-01-01

    In this study, the interfacial properties of biosurfactant rhamnolipid were investigated and were applied to remove adsorbed heavy metal ions from sand surfaces with flushing operations. The surface tension-lowering activity, micelle charge characteristic, and foaming ability of rhamnolipid were identified first. For rhamnolipid in water, the negatively charged characteristic of micelles or aggregates was confirmed and the foaming ability at concentrations higher than 40 mg/L was evaluated. By using the rhamnolipid solutions in a batch washing approach, the potential of applying the interfacial properties of rhamnolipid to remove adsorbed copper ions from sand surfaces was then demonstrated. In rhamnolipid solution flushing operations for sand-packed medium, higher efficiency was found for the removal of adsorbed copper ions with residual type than with inner-sphere interaction type, implying the important role of interaction type between the copper ion and the sand surface in the removal efficiency. In addition, the channeling effect of rhamnolipid solution flow in the sand-packed medium was clearly observed in the solution flushing operations and was responsible for the low removal efficiency with low contact areas between solution and sand. By using rhamnolipid solution with foam to flush the sand-packed medium, one could find that the channeling effect of the solution flow was reduced and became less pronounced with the increase in the rhamnolipid concentration, or with the enhanced foaming ability. With the reduced channeling effect in the flushing operations, the removal efficiency for adsorbed copper ions was significantly improved. The results suggested that the foam-enhanced rhamnolipid solution flushing operation was efficient in terms of surfactant usage and operation time.

  18. Synthesis, Characterization and Some Properties of Chelating Polymers for Metal Ion Sorption

    International Nuclear Information System (INIS)

    Mohamed, A.S.A.

    2010-01-01

    Ion-exchange membranes have been prepared by radiation induced grafting using simultaneous technique based on low cost starting material and established process technologies. Methacrylic acid (MAA) and styrene (Sty) were selected as the grafted monomers to provide two different types of functional groups. Currently; there is much on going research for developing non fluorinated polymers with better performance and lower cost as alternative ion exchange membrane materials. The polymer chosen for this study is low density polyethylene (LDPE) film of two different thicknesses (40 and 70μm). The influence of grafting conditions, i.e. the effect of total irradiation dose and comonomer concentration and compositions have been investigated. These are important parameters in correlation with the grafting yield because they can markedly influence the composition of the resulting copolymer. Once grafted, the materials were readily sulfonated using concentrated sulfuric acid or chlorosulfonic acid in dichloroethane to produce a selection of graft copolymers with performer properties. The grafting and sulfonation of the membranes were confirmed by (FTIR) X-ray diffraction (XRD) and thermal analysis (TGA, DSC). The physicochemical properties of the prepared membranes such as, ion exchange capacity (IEC), equilibrium swelling and electrical conductivity of the grafted membranes and their derivatives were investigated as a function of composition and degree of grafting. The range of ion exchange capacities obtained with different degrees of grafting of MAA/Sty of composition (50/50) that sulfonated with sulfuric acid was in the range of 1.9-3.4 meq/g, whenever, for membranes that sulfonated with chlorosulfonic acid the IEC of 4.2 meq/g was achieved which is better than most of the commercially available membranes in addition to their low cost. The possibility of practicable use of membranes in various fields, such as the removal of some heavy metal ions is investigated.

  19. Structural, electrical properties and dielectric relaxations in Na+-ion-conducting solid polymer electrolyte

    Science.gov (United States)

    Arya, Anil; Sharma, A. L.

    2018-04-01

    In this paper, we have studied the structural, microstructural, electrical, dielectric properties and ion dynamics of a sodium-ion-conducting solid polymer electrolyte film comprising PEO8-NaPF6+  x wt. % succinonitrile. The structural and surface morphology properties have been investigated, respectively using x-ray diffraction and field emission scanning electron microscopy. The complex formation was examined using Fourier transform infrared spectroscopy, and the fraction of free anions/ion pairs obtained via deconvolution. The complex dielectric permittivity and loss tangent has been analyzed across the whole frequency window, and enables us to estimate the DC conductivity, dielectric strength, double layer capacitance and relaxation time. The presence of relaxing dipoles was determined by the addition of succinonitrile (wt./wt.) and the peak shift towards high frequency indicates the decrease of relaxation time. Further, relations among various relaxation times ({{τ }{{\\varepsilon \\prime}}}>~{{τ }tanδ }>{{τ }z}>{{τ }m} ) have been elucidated. The complex conductivity has been examined across the whole frequency window; it obeys the Universal Power Law, and displays strong dependency on succinonitrile content. The sigma representation ({{σ }\\prime\\prime}~versus~{{σ }\\prime} ) was introduced in order to explore the ion dynamics by highlighting the dispersion region in the Cole–Cole plot ({{\\varepsilon }\\prime\\prime}~versus~{{\\varepsilon }\\prime} ) in the lower frequency window; increase in the semicircle radius indicates a decrease of relaxation time. This observation is accompanied by enhancement in ionic conductivity and faster ion transport. A convincing, logical scheme to justify the experimental data has been proposed.

  20. Ion Exchange Equilibrium and Kinetic Properties of Polyacrylate Films and Applications to Chemical Analysis and Environmental Decontamination

    Science.gov (United States)

    Tanner, Stephen P.

    1997-01-01

    One of the goals of the original proposal was to study how cross-linking affects the properties of an ion exchange material(IEM) developed at Lewis Research Center. However, prior to the start of this work, other workers at LERC investigated the effect of cross-linking on the properties of this material. Other than variation in the ion exchange capacity, the chemical characteristics were shown to be independent of the cross-linking agent, and the degree of cross-linking. New physical forms of the film were developed (film, supported film, various sizes of beads, and powder). All showed similar properties with respect to ion exchange equilibria but the kinetics of ion exchange depended on the surface area per unit mass; the powder form of the IEM exchanging much more rapidly than the other forms. The research performed under this grant was directed towards the application of the IEM to the analysis of metal ions at environmental concentrations.

  1. Differential binding properties of Gal/GalNAc specific lectins available for characterization of glycoreceptors.

    Science.gov (United States)

    Wu, A M; Song, S C; Sugii, S; Herp, A

    1997-01-01

    Differentiating the binding properties of applied lectins should facilitate the selection of lectins for characterization of glycoreceptors on the cell surface. Based on the binding specificities studied by inhibition assays of lectin-glycan interactions, over twenty Gal and/or GalNAc specific lectins have been divided into eight groups according to their specificity for structural units (lectin determinants), which are the disaccharide as all or part of the determinants and of GalNAc alpha 1-->Ser (Thr) of the peptide chain. A scheme of codes for lectin determinants is illustrated as follows: (1) F (GalNAc alpha 1-->3GalNAc), Forssman specific disaccharide--Dolichos biflorus (DBL), Helix pomatia (HPL) and Wistaria floribunda (WFL) lectins. (2) A (GalNAc alpha 1-->3 Gal), blood group A specific disaccharide--Codium fragile subspecies tomentosoides (CFT), Soy bean (SBL), Vicia villosa-A4 (VVL-A4), and Wistaria floribunda (WFL) lectins. (3) Tn (GalNAc alpha 1-->Ser (Thr) of the protein core)--Vicia villosa B4 (VVL-B4), Salvia sclarea (SSL), Maclura pomifera (MPL), Bauhinia purpurea alba (BPL) and Artocarpus integrifolia (Jacalin, AIL). (4) T (Gal beta 1-->3GalNAc), the mucin type sugar sequences on the human erythrocyte membrane(T alpha), T antigen or the disaccharides at the terminal nonreducing end of gangliosides (T beta)--Peanut (PNA), Bauhinia purpurea alba (BPL), Maclura pomifera (MPL), Sophora japonica (SJL), Artocarpus lakoocha (Artocarpin) lectins and Abrus precatorius agglutinin (APA).(5) I and II (Gal beta 1-->3(4)GlcNAc)--the disaccharide residue at the nonreducing end of the carbohydrate chains derived from either N- or O-glycosidic linkage--Ricinus communis agglutinin (RCA1), Datura stramonium (TAL, Thorn apple), Erythrina cristagalli (ECL, Coral tree), and Geodia cydonium (GCL). (6) B (Gal alpha 1-->3Gal), human blood group B specific disaccharide--Griffonia(Banderiaea) simplicifolia B4 (GSI-B4). (7) E (Gal alpha 1-->4Gal), receptors for pathogenic E

  2. Structure and electronic properties of ion pairs accompanying cyclic morpholinium cation and alkylphosphite anion based ionic liquids

    Science.gov (United States)

    Verma, Prakash L.; Singh, Priti; Gejji, Shridhar P.

    2017-07-01

    Molecular insights for the formation of ion pairs accompanying the cyclic ammonium cation based room temperature ionic liquids (RTILs) composed of alkyl substituted N-methylmorpholinium (RMMor) and alkylphosphite [(Rsbnd O)2PHdbnd O] (Rdbnd ethyl, butyl, hexyl, octyl) anion have been derived from the M06-2x level of theory. Electronic structures, binding energies, and spectral characteristics of the ion pairs underlying these RTILs have been characterized. The ion pair formation is largely governed by Csbnd H⋯O and other intermolecular interactions. Calculated binding energies increase with the increasing alkyl chain on either cation or alkylphosphite anion. The cation-anion binding reveals signature in the frequency down-(red) shift of the characteristic anionic Pdbnd O stretching whereas the Psbnd H stretching exhibits a shift in the opposite direction in vibrational spectra which has further been rationalized through molecular electron density topography. Correlations of measured electrochemical stability with the separation of frontier orbital energies and binding energies in the ion pairs have further been established.

  3. Electrospinning preparation and photoluminescence properties of poly (methyl methacrylate)/Eu3+ ions composite nanofibers and nanoribbons

    International Nuclear Information System (INIS)

    Li, Maoying; Zhang, Zhenyi; Cao, Tieping; Sun, Yangyang; Liang, Pingping; Shao, Changlu; Liu, Yichun

    2012-01-01

    Graphical abstract: Nanofibers and nanoribbons of poly (methyl methacrylate)/Eu 3+ ions composites were successfully prepared by using a simple electrospinning technique. And the photoluminescence properties of the above PMMA/Eu 3+ ions composites were studied. Highlights: ► Nanofibers and nanoribbons of PMMA/Eu 3+ ions composites are fabricated by electrospinning. ► Photoluminescence properties of as-electrospun PMMA/Eu 3+ ions composites are studied. ► The ratios of electric– and magnetic–dipole transitions are enhanced by increasing electrospinning voltage. -- Abstract: Nanofibers and nanoribbons of poly (methyl methacrylate) (PMMA)/Eu 3+ ions composites with different concentration of Eu 3+ ions were successfully prepared by using a simple electrospinning technique. From the results of scanning electron microscopy and energy-dispersive X-ray spectroscopy, we found that the morphology of the as-electrospun PMMA/Eu 3+ ions composites could be changed from fiber to ribbon structure by adjusting the concentration of Eu 3+ ions in the electrospun precursor solution. The coordination between the Eu 3+ ions and PMMA molecules were investigated by Fourier transform infrared spectroscopy and differential thermal analysis. The photoluminescence (PL) properties of the as-electrospun PMMA/Eu 3+ ions composites were studied in comparison to those of the Eu(NO 3 ) 3 powder. It was showed that the 5 D 0 – 7 F J (J = 0, 1, 2, 3, 4) emission appeared in the PL spectra of the as-electrospun PMMA/Eu 3+ ions composites, whereas the 5 D 0 – 7 F 0 emission was completely absent in the PL spectra of Eu(NO 3 ) 3 powder due to the different local environments surrounding Eu 3+ ions. It was interesting to note that the intensity ratios of the electric–dipole and magnetic–dipole transitions for the PMMA/Eu 3+ ions composites could be enhanced significantly by increasing electrospinning voltage.

  4. Calcium carbonate phosphate binding ion exchange filtration and accelerated denitrification improve public health standards and combat eutrophication in aquatic ecosystems.

    Science.gov (United States)

    Yanamadala, Vijay

    2005-01-01

    Hektoen agar. Initial analyses suggest a strong correlation between phosphate concentrations and bacterial populations; a 66% decrease in phosphate resulted in a 35% reduction in bacterial populations and a 45% reduction in enteropathogenic populations. Likewise, a strong correlation was shown between calcium carbonate concentrations and bacterial reduction greater than that which can be attributed to the phosphate reduction alone. This was followed by the construction of various phosphate binding calcium carbonate filters, which used the ion exchange principle, including a spring loading filter, PVC pipe filter, and a galvanized filter. All were tested with the aid of Stoke's law formulation. The experiment was extremely successful in designing a working phosphate-binding and ammonia-reducing filter, and a large-scale agitator-clarifier filter system is currently being planned for construction in Madrona Marsh; this filter will reduce phosphate and ammonia levels substantially in the following years, bringing ecological, economical, and health-related improvements to the overall ecosystem and habitat.

  5. Leaching and antimicrobial properties of silver nanoparticles loaded onto natural zeolite clinoptilolite by ion exchange and wet impregnation

    CSIR Research Space (South Africa)

    Missengue, RNM

    2015-11-01

    Full Text Available This study aimed to compare the leaching and antimicrobial properties of silver that was loaded onto the natural zeolite clinoptilolite by ion exchange and wet impregnation. Silver ions were reduced using sodium borohydride (NaBH(sub4...

  6. The influence of noble-gas ion bombardment on the electrical and optical properties of clean silicon surfaces

    International Nuclear Information System (INIS)

    Martens, J.W.D.

    1980-01-01

    A study of the effect of argon and helium ion bombardment on the electrical and optical properties of the clean silicon (211) surface is described. The objective of the study was to determine the effect of noble gas ions on the density of surface states at the clean silicon surface. (Auth.)

  7. Physicochemical characterization of camptothecin membrane binding properties and polymeric microsphere formulations

    Science.gov (United States)

    Selvi, Bilge

    In an effort to design novel formulation strategies to optimize the antitumor activity of camptothecin (CPT), the physicochemical and membrane binding properties of the drug, were investigated by various techniques in acidic and physiological pH. The intrinsic solubility of the CPT-lactone free base was determined to be 3.44 muM and 5.11 muM at 22°C and 37°C, respectively. The equilibrium solubility of the drug was found to increase with increasing temperature and decreasing pH. The enhanced solubility of the drug at very low pH is attributed to the protonation of the nitrogen atom in the ring B and the increased solvency of the highly acidic media. The logarithmic value of the intrinsic partition coefficient P of the free base CPT-lactone form was estimated to be 1.65, characteristic of a molecule suitable for oral absorption. The association constants Kf of the drug for bilayers composed of the zwitterionic 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) and the negatively-charged 1,2-dioleoyl-sn-glycero-3-phospho- rac-(1-glycerol) (DOPG) were studied at acidic pH by fluorescence anisotropy and determined to be 35.4 +/- 4.5 M-1 and 93.1 +/- 11.0 M-1 for DOPC and DOPG, respectively, indicating a tendency of CPT to preferentially bind to negatively charged membranes. The energy of activation for the hydrolysis of CPT at physiological pH was found to be 114.3 +/- 33.4 kj/mole. The calculated t½ of the reaction at pH 7.2 at temperatures 25°C and 10°C was found to be 0.07 days and 5.12 days, respectively, whereas the time required for 1% of CPT-lactone to hydrolyze to CPT-carboxylate (t99%) was determined to be 1.8 hours, thus offering enough time to safely handle CPT-lactone at low temperatures. The preformulation results indicated that at highly acidic media CPT is positively charged and exists at its stable lactone form of increased solubility and has a capacity to bind to negatively charged membranes. Taking advantage of the increased stability of CPT in

  8. Effect of F ions on physical and optical properties of fluorine substituted zinc arsenic tellurite glasses

    Science.gov (United States)

    Kareem Ahmmad, Shaik; kondaul, Edu; Rahman, Syed

    2015-02-01

    The effect of substitution of fluoride ions for oxide ions on the physical and optical properties of glass system (20-x) ZnO-xZnF2-40As2O3-40TeO2 where x = 0, 4, 8,12,16,20 mole % were investigated. The samples prepared by melt quenching method under controlled condition. The amorphous nature of these glasses was checked by X-ray diffraction technique. The density was measured according to Archimedes principle. The room temperature absorption spectra of all glass samples were determined using UV-Vis-NIR spectrometer. The thermal behaviour, glass transition temperature and stability of glass samples were studied by a differential scanning calorimetric (DSC). The density reduction of present glasses with ZnF2 concentrations may be due to the low density of ZnF2 compared with that of ZnO. Breaking the oxide network, the cross linking degree of the glass former could be reduced which results in decrease of both Tg and Tx. In the present glass system when F ions replaced by oxygen ions UV-Vis absorption cut-off wavelength decreases. This resulted form the conversion of structural unit in the glass from TeO4 to Te(O,F)4 and then to Te(O, F)3.

  9. Physical and biological properties of the ion beam irradiated PMMA-based composite films

    Energy Technology Data Exchange (ETDEWEB)

    Shanthini, G.M.; Martin, Catherine Ann; Sakthivel, N.; Veerla, Sarath Chandra; Elayaraja, K. [Crystal Growth Centre, Anna University, Chennai 600025 (India); Lakshmi, B.S. [Department of Biotechnology, Anna University, Chennai 600025 (India); Asokan, K.; Kanjilal, D. [Materials Science Group, Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Kalkura, S. Narayana, E-mail: kalkurasn@annauniv.edu [Crystal Growth Centre, Anna University, Chennai 600025 (India)

    2015-02-28

    Highlights: • First report of swift heavy ion irradiation on PMMA-HAp as bioceramic composite. • Augmented protein adsorption of about 400% was attained due to irradiation. • Tailored surface morphology, topography, roughness, wettability and crystallinity. • Irradiation transformed the hydrophobic surface into hydrophilic surface. • Better blood and cell–material interaction leading to improved biocompatibility. - Abstract: Polymethyl methacrylate (PMMA) and PMMA-hydroxyapatite (PMMA-HAp) composite films, prepared by the solvent evaporation method were irradiated with 100 MeV Si{sup 7+} ions. Crystallographic, morphological and the functional groups of the pristine and irradiated samples were studied using glancing incident X-ray diffraction (GIXRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) respectively. SEM reveals the creation of pores, along with an increase in porosity and cluster size on irradiation. Decrease in crystalline nature and crystallite size with an increase in ion fluence was observed from GIXRD patterns. The surface roughness and the wettability of the material were also enhanced, which could favour the cell–material interaction. The irradiated samples adsorbed significantly greater amount of proteins than pristine. Also, irradiation does not produce any toxic byproducts or leachants, and maintains the viability of 3T3 cells. The response of the irradiated samples towards biomedical applications was demonstrated by the improved antimicrobial activity, haemocompatibility and cytocompatibility. Swift heavy ion irradiation (SHI) could be an effective tool to modify and engineer the surface properties of the polymers to enhance the biocompatibility.

  10. Ion release and mechanical properties of calcium silicate and calcium hydroxide materials used for pulp capping.

    Science.gov (United States)

    Natale, L C; Rodrigues, M C; Xavier, T A; Simões, A; de Souza, D N; Braga, R R

    2015-01-01

    To compare the ion release and mechanical properties of a calcium hydroxide (Dycal) and two calcium silicate (MTA Angelus and Biodentine) cements. Calcium and hydroxyl ion release in water from 24-h set cements were calculated from titration with HCl (n = 3). Calcium release after 7, 14, 21 and 28 days at pH 5.5 and 7.0 was measured using ICP-OES (n = 6). Flexural strength (FS) and modulus (E) were tested after 48-h storage, and compressive strength (CS) was tested after 48 h and 7 days (n = 10). Ion release and mechanical data were subjected to anova/Tukey and Kruskal-Wallis/Mann-Whitney tests, respectively (α = 0.05). Titration curves revealed that Dycal released significantly fewer ions in solution than calcium silicates (P pH 7.0, whilst at pH 5.5, it dropped significantly by 24% after 21 days (P pH 5.5, MTA Angelus released significantly more calcium than Dycal (P pH 7.0 (P pH conditions. Biodentine had substantially higher strength and modulus than MTA Angelus and Dycal, both of which demonstrated low stress-bearing capabilities. © 2014 International Endodontic Journal. Published by John Wiley & Sons Ltd.

  11. Correlation, Breit and quantum electrodynamics effects on energy level and transition properties of W54+ ion

    International Nuclear Information System (INIS)

    Ding, X.; Sun, R.; Dong, C.; Koike, F.; Kato, D.; Murakami, I.; Sakaue, H.A.

    2017-01-01

    The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The study of W 54+ ion provide necessary reference data for the fusion plasma physics as tungsten was chosen to be used as the armour material of the divertor of the ITER project. The ground states [Ne]3s 2 3p 6 3d 2 and first excited states [Ne]3s 2 3p 5 3d 3 of W 54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W 54+ ion. (authors)

  12. Influence of dense plasma on the energy levels and transition properties in highly charged ions

    Science.gov (United States)

    Chen, Zhan-Bin; Hu, Hong-Wei; Ma, Kun; Liu, Xiao-Bin; Guo, Xue-Ling; Li, Shuang; Zhu, Bo-Hong; Huang, Lian; Wang, Kai

    2018-03-01

    The studies of the influence of plasma environments on the level structures and transition properties for highly charged ions are presented. For the relativistic treatment, we implemented the multiconfiguration Dirac-Fock method incorporating the ion sphere (IS) model potential, in which the plasma screening is taken into account as a modified interaction potential between the electron and the nucleus. For the nonrelativistic treatment, analytical solutions of the Schrödinger equation with two types of the IS screened potential are proposed. The Ritz variation method is used with hydrogenic wave function as a trial wave function that contains two unknown variational parameters. Bound energies are derived from an energy equation, and the variational parameters are obtained from the minimisation condition of the expectation value of the energy. Numerical results for hydrogen-like ions in dense plasmas are presented as examples. A detailed analysis of the influence of relativistic effects on the energy levels and transition properties is also reported. Our results are compared with available results in the literature showing a good quantitative agreement.

  13. Influence of different ions doping on the antibacterial properties of MgO nanopowders

    Energy Technology Data Exchange (ETDEWEB)

    Rao, Yuanyuan; Wang, Wei, E-mail: weiwang@hust.edu.cn; Tan, Fatang; Cai, Yuncheng; Lu, Junwen; Qiao, Xueliang

    2013-11-01

    Compared with other inorganic antibacterial agents, magnesium oxide (MgO) nanopowders exhibit a unique antibacterial mechanism and various advantages in applications, having attracted extensive attention. In this study, MgO nanopowders doped with different ions (Li{sup +}, Zn{sup 2+} and Ti{sup 4+}) were synthesized by a sol–gel method, respectively. The structures and morphologies of the as-obtained precursors and nanopowders were characterized and confirmed by X-ray diffraction (XRD), transmission electron microscope (TEM) and X-ray photoelectron spectroscopy (XPS) analysis. The influence of three metal ions doping on the antibacterial properties of MgO nanopowders was also investigated by their bactericidal activity against Escherichia coli (E. coli, ATCC 25922) using the broth microdilution method and the agar method. The results show that Li-doped MgO exhibits better antibacterial activity, Zn-doped and Ti-doped MgO display poorer antibacterial activity than pure MgO. It can be concluded that the influence of different ions doping on the antibacterial properties of MgO mainly lies on oxygen vacancies and basicity of nanopowders.

  14. Spectroscopic Properties of Erbium Ions Doped in Bismuth Boro-Silicate Glasses

    Science.gov (United States)

    Bhardwaj, Sunil; Shukla, Rajni; Sanghi, Sujata; Agarwal, Ashish; Pal, Inder

    Glasses with composition 20B2O3.(79.5-x)Bi2O3.xSiO2 (10 ≤ x ≤ 40) containing 0.5mol% of Er3+ ions were prepared by melt-quench technique. Optical absorption and fluorescence spectra were recorded at room temperature for all glass samples. Based on the Judd-Offelt theory, spectroscopic properties of Er3+ ions are discussed by changing the host glass compositions. The intensity parameters Ω2, Ω4, and Ω6 are determined by applying least square analysis method. The variation of Ω2 and Ω6 with Bi2O3 content has been attributed to changes in the asymmetry of the ligand field at the rare earth ion site and to the changes in the rare earth oxygen (RE-O) covalency. The variation of Ω4 with Bi2O3 content has been attributed to rigidity of the samples. Using these intensity parameters various radiative properties like spontaneous emission probability, branching ratio, radiative life time and stimulated emission cross-section of various emission lines have been evaluated. An intense green luminescence bands with maximum around 516 nm and 536 nm are assigned to the 2H11/2→ 4I15/2 and 4S3/2→ 4I15/2 transitions respectively has been obtained.

  15. Synthesis of ultrasmall Li-Mn spinel oxides exhibiting unusual ion exchange, electrochemical, and catalytic properties

    Science.gov (United States)

    Miyamoto, Yumi; Kuroda, Yoshiyuki; Uematsu, Tsubasa; Oshikawa, Hiroyuki; Shibata, Naoya; Ikuhara, Yuichi; Suzuki, Kosuke; Hibino, Mitsuhiro; Yamaguchi, Kazuya; Mizuno, Noritaka

    2015-10-01

    The efficient surface reaction and rapid ion diffusion of nanocrystalline metal oxides have prompted considerable research interest for the development of high functional materials. Herein, we present a novel low-temperature method to synthesize ultrasmall nanocrystalline spinel oxides by controlling the hydration of coexisting metal cations in an organic solvent. This method selectively led to Li-Mn spinel oxides by tuning the hydration of Li+ ions under mild reaction conditions (i.e., low temperature and short reaction time). These particles exhibited an ultrasmall crystallite size of 2.3 nm and a large specific surface area of 371 ± 15 m2 g-1. They exhibited unique properties such as unusual topotactic Li+/H+ ion exchange, high-rate discharge ability, and high catalytic performance for several aerobic oxidation reactions, by creating surface phenomena throughout the particles. These properties differed significantly from those of Li-Mn spinel oxides obtained by conventional solid-state methods.

  16. Synthesis of ultrasmall Li–Mn spinel oxides exhibiting unusual ion exchange, electrochemical, and catalytic properties

    Science.gov (United States)

    Miyamoto, Yumi; Kuroda, Yoshiyuki; Uematsu, Tsubasa; Oshikawa, Hiroyuki; Shibata, Naoya; Ikuhara, Yuichi; Suzuki, Kosuke; Hibino, Mitsuhiro; Yamaguchi, Kazuya; Mizuno, Noritaka

    2015-01-01

    The efficient surface reaction and rapid ion diffusion of nanocrystalline metal oxides have prompted considerable research interest for the development of high functional materials. Herein, we present a novel low-temperature method to synthesize ultrasmall nanocrystalline spinel oxides by controlling the hydration of coexisting metal cations in an organic solvent. This method selectively led to Li–Mn spinel oxides by tuning the hydration of Li+ ions under mild reaction conditions (i.e., low temperature and short reaction time). These particles exhibited an ultrasmall crystallite size of 2.3 nm and a large specific surface area of 371 ± 15 m2 g−1. They exhibited unique properties such as unusual topotactic Li+/H+ ion exchange, high-rate discharge ability, and high catalytic performance for several aerobic oxidation reactions, by creating surface phenomena throughout the particles. These properties differed significantly from those of Li–Mn spinel oxides obtained by conventional solid-state methods. PMID:26456216

  17. Molecular dynamics study of binding energies, mechanical properties, and detonation performances of bicyclo-HMX-based PBXs.

    Science.gov (United States)

    Qiu, Ling; Xiao, Heming

    2009-05-15

    To investigate the effect of polymer binders on the monoexplosive, molecular dynamics simulations were performed to study the binding energies, mechanical properties, and detonation performances of the bicyclo-HMX-based polymer-bonded explosives (PBXs). The results show that the binding energies on different crystalline surfaces of bicyclo-HMX decrease in the order of (010)>(100)>(001). On each crystalline surface, binding properties of different polymers with the same chain segment are different from each other, while those of the polymers in the same content decrease in the sequence of PVDF>F(2311)>F(2314) approximately PCTFE. The mechanical properties of a dozen of model systems (elastic coefficients, various moduli, Cauchy pressure, and Poisson's ratio) have been obtained. It is found that mechanical properties are effectively improved by adding small amounts of fluorine polymers, and the overall effect of fluorine polymers on three crystalline surfaces of bicyclo-HMX changes in the order of (010)>(001) approximately (100). In comparison with the base explosive, detonation performances of the PBXs decrease slightly, but they are still superior to TNT. These suggestions may be useful for the formulation design of bicyclo-HMX-based PBXs.

  18. Molecular characterization and oligosaccharide-binding properties of a galectin from the argasid tick Ornithodoros moubata.

    Science.gov (United States)

    Huang, Xiaohong; Tsuji, Naotoshi; Miyoshi, Takeharu; Nakamura-Tsuruta, Sachiko; Hirabayashi, Jun; Fujisaki, Kozo

    2007-03-01

    The argasid tick Ornithodoros moubata is a vector of various viral and borrelian diseases in animals and humans. We report here molecular characterization and oligosaccharide-binding properties of a novel galectin (OmGalec) from this tick. OmGalec consisted of 333 amino acids with a predicted molecular weight of 37.4 kDa. Its amino acid sequence did not contain a signal peptide or transmembrane domain. It possessed tandem-repeated carbohydrate recognition domains, in which the typical motifs important for carbohydrate affinity were conserved. OmGalec was expressed both transcriptionally and translationally at all stages of the tick life cycle and in multiple organs and was abundant in hemocytes, midguts, and reproductive organs, which are of importance in immunity, interaction with pathogens, and development, respectively, suggesting that OmGalec is a multifunctional molecule. The oligosaccharide affinity profile analyzed by applying an automated frontal affinity chromatography system revealed that rOmGalec showed a general feature of the galectin family, i.e. significant affinity for lactosamine-type disaccharides, Galbeta1-3(4)Glc(NAc), via recognition of 4-OH and 6-OH of galactose and 3 (4)-OH of Glc(NAc). Its preference for type I saccharides and alpha1-3GalNAc-containing oligosaccharides might provide clues for identifying its ligands and its potential multiple functions. Our results may contribute to the elucidation of galectin functions in the development and immunity of arthropods and/or vector and pathogen interaction and provide valuable information for the development of novel tick control strategies.

  19. Structures of parasite calreticulins provide insights into their flexibility and dual carbohydrate/peptide-binding properties

    Directory of Open Access Journals (Sweden)

    Christophe Moreau

    2016-11-01

    Full Text Available Calreticulin (CRT is a multifaceted protein, initially discovered as an endoplasmic reticulum (ER chaperone protein, that is essential in calcium metabolism. Various implications in cancer, early development and immunology have been discovered more recently for CRT, as well as its role as a dominant `eat-me' prophagocytic signal. Intriguingly, cell-surface exposure/secretion of CRT is among the infective strategies used by parasites such as Trypanosoma cruzi, Entamoeba histolytica, Taenia solium, Leishmania donovani and Schistosoma mansoni. Because of the inherent flexibility of CRTs, their analysis by X-ray crystallography requires the design of recombinant constructs suitable for crystallization, and thus only the structures of two very similar mammalian CRT lectin domains are known. With the X-ray structures of two distant parasite CRTs, insights into species structural determinants that might be harnessed to fight against the parasites without affecting the functions of the host CRT are now provided. Moreover, although the hypothesis that CRT can exhibit both open and closed conformations has been proposed in relation to its chaperone function, only the open conformation has so far been observed in crystal structures. The first evidence is now provided of a complex conformational transition with the junction reoriented towards P-domain closure. SAXS experiments also provided additional information about the flexibility of T. cruzi CRT in solution, thus complementing crystallographic data on the open conformation. Finally, regarding the conserved lectin-domain structure and chaperone function, evidence is provided of its dual carbohydrate/protein specificity and a new scheme is proposed to interpret such unusual substrate-binding properties. These fascinating features are fully consistent with previous experimental observations, as discussed considering the broad spectrum of CRT sequence conservations and differences.

  20. Differences in the Antinociceptive Effects and Binding Properties of Propranolol and Bupranolol Enantiomers.

    Science.gov (United States)

    Martin, Loren J; Piltonen, Marjo H; Gauthier, Josee; Convertino, Marino; Acland, Erinn L; Dokholyan, Nikolay V; Mogil, Jeffrey S; Diatchenko, Luda; Maixner, William

    2015-12-01

    Recent efforts have suggested that the β-adrenergic receptor (β-AR) system may be a novel and viable therapeutic target for pain reduction; however, most of the work to date has focused on the β(2)-adrenergic receptor (AR). Here, we compared the antinociceptive effects of enantiomeric configurations of propranolol and bupranolol, two structurally similar nonselective β-blocking drugs, against mouse models of inflammatory and chronic pain. In addition, we calculated in silico docking and measured the binding properties of propranolol and bupranolol for all 3 β-ARs. Of the agents examined, S-bupranolol is superior in terms of its antinociceptive effect and exhibited fewer side effects than propranolol or its associated enantiomers. In contrast to propranolol, S-bupranolol exhibited negligible β-AR intrinsic agonist activity and displayed a full competitive antagonist profile at β(1)/β(2)/β(3)-ARs, producing a unique blockade of β(3)-ARs. We have shown that S-bupranolol is an effective antinociceptive agent in mice without negative side effects. The distinctive profile of S-bupranolol is most likely mediated by its negligible β-AR intrinsic agonist activity and unique blockade of β(3)-AR. These findings suggest that S-bupranolol instead of propranolol may represent a new and effective treatment for a variety of painful conditions. The S enantiomer of bupranolol, a β-receptor antagonist, shows greater antinociceptive efficacy and a superior preclinical safety profile and it should be considered as a unique β-adrenergic receptor compound to advance future clinical pain studies. Copyright © 2015 American Pain Society. Published by Elsevier Inc. All rights reserved.

  1. Monomer-dimer equilibrium and oxygen binding properties of ferrous Vitreoscilla hemoglobin.

    Science.gov (United States)

    Giangiacomo, L; Mattu, M; Arcovito, A; Bellenchi, G; Bolognesi, M; Ascenzi, P; Boffi, A

    2001-08-07

    The monomer-dimer equilibrium and the oxygen binding properties of ferrous recombinant Vitreoscilla hemoglobin (Vitreoscilla Hb) have been investigated. Sedimentation equilibrium data indicate that the ferrous deoxygenated and carbonylated derivatives display low values of equilibrium dimerization constants, 6 x 10(2) and 1 x 10(2) M(-1), respectively, at pH 7.0 and 10 degrees C. The behavior of the oxygenated species, as measured in sedimentation velocity experiments, is superimposable to that of the carbonylated derivative. The kinetics of O(2) combination, measured by laser photolysis at pH 7.0 and 20 degrees C, is characterized by a second-order rate constant of 2 x 10(8) M(-1) s(-1) whereas the kinetics of O(2) release at pH 7.0 is biphasic between 10 and 40 degrees C, becoming essentially monophasic below 10 degrees C. Values of the first-order rate constants (at 20 degrees C) and of the activation energies for the fast and slow phases of the Vitreoscilla Hb deoxygenation process are 4.2 s(-1) and 19.2 kcal mol(-1) and 0.15 s(-1) and 24.8 kcal mol(-1), respectively. Thus the biphasic kinetics of Vitreoscilla Hb deoxygenation is unrelated to the association state of the protein. The observed biphasic oxygen release may be accounted for by the presence of two different conformers in thermal equilibrium within the monomer. The two conformers may be assigned to a structure in which the heme-iron-bound ligand is stabilized by direct hydrogen bonding to TyrB10 and a structure in which such interaction is absent. The slow interconversion between the two conformers may reflect a very large conformational rearrangement in the disordered distal pocket segment connecting helices C and E.

  2. Influence of template/functional monomer/cross‐linking monomer ratio on particle size and binding properties of molecularly imprinted nanoparticles

    DEFF Research Database (Denmark)

    Yoshimatsu, Keiichi; Yamazaki, Tomohiko; Chronakis, Ioannis S.

    2012-01-01

    A series of molecularly imprinted polymer nanoparticles have been synthesized employing various template/functional monomer/crosslinking monomer ratio and characterized in detail to elucidate the correlation between the synthetic conditions used and the properties (e.g., particle size and template...... binding properties) of the obtained nanoparticles. In brief, the presence of propranolol (template) in the polymerization mixture turned out to be a critical factor on determination of the size as well as the binding properties of the imprinted nanoparticles. The functional monomer/crosslinking monomer...... tuning of particle size and binding properties are required to fit practical applications. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012...

  3. The physical properties and ion release of CPP-ACP-modified calcium silicate-based cements.

    Science.gov (United States)

    Dawood, A E; Manton, D J; Parashos, P; Wong, Rhk; Palamara, Jea; Stanton, D P; Reynolds, E C

    2015-12-01

    This study investigated the physical properties and ion release of casein phosphopeptide-amorphous calcium phosphate (CPP-ACP)-modified calcium silicate-based cements (CSCs) and compared the properties of a trial mineral trioxide aggregate (MTA) with two commercially available CSCs, Biodentine(™) and Angelus(®) MTA. The setting time, solubility, compressive strength and Vickers surface microhardness of the three CSCs incorporated with 0%, 0.5%, 1.0%, 2.0% and 3.0% (w/w) CPP-ACP were investigated. Release of calcium (Ca(2+) ), phosphate ions (Pi ) and pH of the test cements were measured after 24, 72, 168 and 336 h of storage. The addition of up to 1.0% CPP-ACP into Biodentine(™) and 0.5% into the other cements did not adversely affect their physical properties except for the setting time. The addition of 0.5% CPP-ACP increased Ca(2+) released from Biodentine(™) (after 168 and 336 h), Angelus(®) MTA (after 168 h) and the trial MTA (after 72 h). The addition of 1.0-3.0% CPP-ACP increased Ca(2+) and Pi released from all the cements. Biodentine(™) released more Ca(2+) particularly in the early stages and showed shorter setting time and higher mechanical properties than the other cements. The mechanical properties of Angelus(®) MTA and the trial MTA were similar. All the cements produced highly alkaline storage solutions. Up to 1.0% CPP-ACP in Biodentine(™) improves Ca(2+) and Pi release and 0.5% CPP-ACP in Angelus(®) MTA and the trial MTA improves Ca(2+) release without altering the mechanical properties and solubility. The addition of CPP-ACP into CSCs prolonged the setting time. © 2015 Australian Dental Association.

  4. Effect of swift heavy ion irradiation on optical absorption properties of SWCNTs

    Energy Technology Data Exchange (ETDEWEB)

    Vishalli,, E-mail: vishalli-2008@yahoo.com; Dharamvir, Keya, E-mail: keya@pu.ac.in [Department of Physics, Panjab University, Chandigarh (India); Raina, K. K. [Materials Research Laboratory, School of Physics and Materials Science, Thapar University, Patiala (India); Avasthi, D. K. [Materials Science Group, Inter University Accelerator Centre, Aruna Asaf Ali Marg, NewDelhi (India); Srivastava, Alok [Department of Chemistry, Panjab University, Chandigarh (India)

    2016-05-06

    In the present work, experimental investigations on the optical absorption properties of swift heavy ion irradiated single walled carbon nanotubes (SWCNTs) have been carried out. The uniform thin films of SWCNTs have been deposited on quartz substrate by Langmuir Blodgett (LB) method in a layer by layer manner. The irradiation of thin films is carried out by nickel ion beam of energy 60 MeV at different fluences. The variation in the S{sub 11}, S{sub 22}, and M{sub 11} band in optical spectra of SWCNTs has been studied before and after irradiation. The decrease in intensity/area of the bands corresponding to both semiconducting and metallic SWCNTs has been observed with increasing fluence.

  5. Investigation on optical absorption properties of ion irradiated single walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Vishalli,, E-mail: vishalli-2008@yahoo.com; Dharamvir, Keya, E-mail: keya@pu.ac.in [Department of Physics, Panjab University, Chandigarh (India); Kaur, Ramneek; Raina, K. K. [Materials Research Laboratory, School of Physics and Materials Science, Thapar University, Patiala (India); Avasthi, D. K. [Materials Science Group, Inter University Accelerator Centre, ArunaAsaf Ali Marg, NewDelhi (India); Jeet, Kiran [Electron Microscopy and Nanoscience laboratory, Punjab Agriculture University, Ludhiana (India)

    2015-08-28

    In the present study change in the optical absorption properties of single walled carbon nanotubes (SWCNTs) under nickel ion (60 MeV) irradiation at various fluences has been investigated. Langmuir Blodgett technique is used to deposit SWCNT thin film of uniform thickness. AFM analysis shows a network of interconnected bundles of nanotubes. UV-Vis-NIR absorption spectra indicate that the sample mainly contain SWCNTs of semiconducting nature. It has been found in absorption spectra that there is decrease in the intensity of the characteristic SWCNT peaks with increase in fluence. At fluence value 1×10{sup 14} ions/cm{sup 2} there is almost complete suppression of the characteristic SWCNTs peaks.The decrease in the optical absorption with increase in fluence is due to the increase in the disorder in the system which leads to the decrease in optically active states.

  6. Structural characterization, electrochemical, photoluminescence and thermal properties of potassium ion-mediated coordination polymer.

    Science.gov (United States)

    Ceyhan, Gökhan; Köse, Muhammet; Tümer, Mehmet; Dal, Hakan

    2015-05-05

    A polymeric potassium complex of p-nitrophenol was synthesized and characterized by analytical and spectroscopic techniques. Molecular structure of the complex was determined by single crystal X-ray diffraction study. X-ray structural data show that crystals contain polymeric K(+) complex of p-nitrophenol. Asymmetric unit consists of one p-nitrophenolate, one K(+) ion and one water molecule. All bond lengths and angles in the phenyl rings have normal Csp2-Csp2 values and are in the expected ranges. The p-nitrophenolate is close to planar with small distortions by some atoms. Each potassium ion in the polymeric structure is identical and eight-coordinate, bonded to four nitro, two phenolate oxygen atoms from five p-nitrophenolate ligands and two oxygen atoms from two water molecules. Electronic, electrochemical, photoluminescence and thermal properties of the complex were also investigated. Copyright © 2015. Published by Elsevier B.V.

  7. Hydrothermally Processed Oxide Nanostructures and Their Lithium–ion Storage Properties

    Directory of Open Access Journals (Sweden)

    Kim Yong-Jin

    2010-01-01

    Full Text Available Abstract Y- and Si-based oxide nanopowders were synthesized by a hydrothermal reaction of Y or Si powders with NaOH or LiOH aqueous solution. Nanoparticles with different morphology such as elongated nanospheres, flower-like nanoparticles and nanowires were produced by a control of processing parameters, in particular, the starting composition of solution. The preliminary result of electrochemical examination showed that the hydrothermally processed nanowires exhibit high initial capacities of Li-ion storage: 653 mAh/g for Y2O3 nanowires as anode materials and 186 mAh/g for Li2Si2O5 nanowires as cathode materials in a Li secondary cell. Compared to the powder with elongated sphere or flower-like shapes, the nanowires showed a higher Li-ion capacity and a better cycle property.

  8. Mechanical properties of tungsten following rhenium ion and helium plasma exposure

    Directory of Open Access Journals (Sweden)

    C.S. Corr

    2017-08-01

    Full Text Available Mechanical properties of Tungsten (W samples irradiated with 2 MeV Rhenium (Re ions and helium (He plasma were investigated using nanoindentation. It was found that there was an increase in hardness for all samples following separate irradiation with both Re ion and He plasma. A slight increase in hardness was obtained for combined exposures. A comparable increase in hardness was observed for a pure He plasma with a sample temperature of 473 K and 1273 K. Optical interferometry was employed to compare surface modification of the samples. Grazing incidence small angle x-ray scattering confirmed He nano-bubble formation of approximately 1 nm diameter in the higher temperature sample, which was not observed with samples at the lower temperatures.

  9. The role of polar and facial amphipathic character in determining lipopolysaccharide-binding properties in synthetic cationic peptides.

    Science.gov (United States)

    David, S A; Awasthi, S K; Balaram, P

    2000-01-01

    Two series of peptides, designated K and NK were synthesized and tested for lipid A binding and neutralizing properties. K2, which has an 11-residue amphiphilic core, and a branched N-terminus bearing two branched lysinyl residues does not bind lipid A, while NK2, also with an 11-residue amphiphilic core comprised entirely of non-ionizable residues, and a similarly branched, cationic N-terminus, binds lipid A very weakly. Both peptides do not inhibit lipopolysaccharide (LPS) activity in the Limulus assay, nor do they inhibit LPS-induced TNF-alpha and NO production in J774 cells. These results are entirely unlike a homologous peptide with an exclusively hydrophobic core whose LPS-binding and neutralizing properties are very similar to that of polymyxin B [David SA, Awasthi SK, Wiese A et al. Characterization of the interactions of a polycationic, amphiphilic, terminally branched oligopeptide with lipid A and lipopolysaccharide from the deep rough mutant of Salmonella minnesota. J Endotoxin Res 1996; 3: 369-379]. These data suggest that a clear segregation of charged and apolar domains is crucial in molecules designed for purposes of LPS sequestration and that head-tail (polar) orientation of the cationic/hydrophobic regions is preferable to molecules with mixed or facial cationic/amphipathic character.

  10. Ion exchange properties of three Brazilian soils with high clay mineral content and their use in radionuclide absorption

    International Nuclear Information System (INIS)

    Miekeley, N.; Albuquerque, P.C.W. de

    1986-01-01

    The ion exchange properties of three different soils containing illite, montmorillonite of vermiculite as principle adsorbing material have been studied by radioactive tracer methods. Ion exchange isotherms confirmed enhanced selectivity of these soils for Ce, Sr and Cs, which was highest for Ce in illite and for Cs in bentonite. Ion and isotopic exchange rates have been measured, showing that a variable fraction of these cations remained kinetically fixed in the soils, depending on the nature of the exchangeable ions. Bentonite soil was studied in column operations, aiming at Cs-137 decontamination of tap water, and revealed as a promissing material for this purpose. (Author) [pt

  11. Effect of H + ion implantation on structural, morphological, optical and dielectric properties of L-arginine monohydrochloride monohydrate single crystals

    Science.gov (United States)

    Sangeetha, K.; Babu, R. Ramesh; Kumar, P.; Bhagvannarayana, G.; Ramamurthi, K.

    2011-06-01

    L-arginine monohydrochloride monohydrate (LAHCl) single crystals have been implanted with 100 keV H + ions at different ion fluence ranging from 10 12 to 10 15 ions/cm 2. Implanted LAHCl single crystals have been investigated for property changes. Crystal surface and crystalline perfection of the pristine and implanted crystals were analyzed by atomic force microscope and high-resolution X-ray diffraction studies, respectively. Optical absorption bands induced by colour centers, refractive index and birefringence, mechanical stability and dielectric constant of implanted crystals were studied at different ion fluence and compared with that of pristine LAHCl single crystal.

  12. Binding of nickel and zinc ions with activated carbon prepared from sugar cane fibre (Saccharum officinarum L.

    Directory of Open Access Journals (Sweden)

    E.U. Ikhuoria

    2007-04-01

    Full Text Available Activated carbon was prepared from sugar cane fibre by carbonizing at 500 oC for 30 minutes. This was followed by activation with ammonium chloride. The activated carbon was characterised in terms of pH, bulk density, ash content, surface area and surface charge. Equilibrium sorption of nickel and zinc ions by the activated carbon was studied using a range of metal ion concentrations. The sorption data was observed to have an adequate fit for the Langmuir isotherm equation. The level of metal ion uptake was found to be of the order: Ni2+ > Zn2+. The difference in the removal efficiency could be explained in terms of the hydration energy of the metal ions. The distribution coefficient for a range of concentration of the metal ions at the sorbent water interface is found to be higher than the concentration in the continuous phase.

  13. Structural and luminescence properties of Mn2+ ions doped calcium zinc borophosphate glasses

    International Nuclear Information System (INIS)

    Wan, Ming Hua; Wong, Poh Sum; Hussin, Rosli; Lintang, Hendrik O.; Endud, Salasiah

    2014-01-01

    Highlights: • FT-IR revealed that the network structures are from borate and phosphate network. • The PL spectrum exhibits a green emission band at 582 nm ( 4 T 1g → 6 A 1g ). • As the concentration of Mn 2+ ions is increased, the emission band had been red shifted. • These glasses are found to have potential applications as luminescent optical materials. - Abstract: Calcium zinc borophosphate glasses (CaZnBP) doped with various concentrations of Mn 2+ ions and borate and phosphate as variable were prepared using conventional melt quenching technique. The structure of obtained glasses were examined by means of use: X-ray diffraction (XRD) and fourier transform infrared (FT-IR). XRD analysis confirmed amorphous nature of glass samples. The FT-IR spectra reveals the presence of both borate and phosphate vibrational modes in the prepared glasses. The doping of Mn 2+ ions (2–10 mol%) shows no significant changes in the main IR vibrational bands. Optical properties were studied by measuring the near infrared photoluminescence (PL) spectra. CaZnBP glasses exhibited intense green emission peak (582 nm) (tetrahedral symmetry), which is assigned to a transition from the upper 4 T 1g → 6 A 1g ground state of Mn 2+ ions. As the concentration of Mn 2+ ions increases, the emission band increases from 582 nm to 650 nm and exhibited a red light emission (octahedral symmetry). The decay curves of 4 T 1g level were examined for all concentrations and the measured lifetimes are found to depend strongly on Mn 2+ concentrations. From the emission characteristic parameters of 6 A 1g (S) level, it shows that the CaZnBP glasses could have potential applications as luminescent optical materials, visible lasers and fluorescent display devices

  14. Seminal fluid from men with agenesis of the Wolffian ducts: zinc-binding properties and effects on sperm chromatin stability.

    Science.gov (United States)

    Kvist, U; Kjellberg, S; Björndahl, L; Soufir, J C; Arver, S

    1990-08-01

    Zinc-binding properties were studied in 'prostatic fluid', i.e. in seminal plasma from patients with agenesis of the Wolffian ducts, and in split-ejaculate fractions dominated by seminal vesicular fluid. The effect of seminal fluid, with different zinc-binding properties, on the stability of zinc-dependent sperm chromatin was assessed by exposing sperm to 1% sodium dodecyl sulphate (SDS) for 60 min. Citrate was the only zinc ligand in 'prostatic fluid', as revealed by gel chromatography. Zinc in this fluid enhanced the stability of sperm chromatin. In contrast, the stability of sperm chromatin was decreased in seminal plasma dominated by vesicular fluid. These results are in accordance with the concept that prostatic fluid ensures the appropriate zinc content and stability of sperm chromatin, whereas abundance of vesicular fluid may jeopardize chromatin stability by reducing chromatin zinc content.

  15. Design, synthesis and DNA binding properties of orthogonally positioned diamino containing polyamide f-IPI.

    Science.gov (United States)

    Babu, Balaji; Liu, Yang; Plaunt, Adam; Riddering, Camille; Ogilvie, Ross; Westrate, Laura; Davis, Ryan; Ferguson, Amanda; Mackay, Hilary; Rice, Toni; Chavda, Sameer; Wilson, David; Lin, Shicai; Kiakos, Konstantinos; Hartley, John A; Lee, Moses

    2011-01-21

    An orthogonally positioned diamino/dicationic polyamide f-IPI 2 was synthesized. It has enhanced binding affinity, and it showed comparable sequence specificity to its monoamino/monocationic counterpart f-IPI 1. Results from CD and DNase I footprinting studies confirmed the minor groove binding and selectivity of polyamides 1 and 2 for the cognate sequence 5'-ACGCGT-3'. SPR studies provided their binding constants: 2.4 × 10(8)M(-1) for diamino 2, which is ∼4 times higher than 5.4 × 10(7)M(-1) for its monoamino analogue 1. Copyright © 2010 Elsevier Inc. All rights reserved.

  16. A urokinase receptor-associated protein with specific collagen binding properties

    DEFF Research Database (Denmark)

    Behrendt, N; Jensen, O N; Engelholm, L H

    2000-01-01

    membrane-bound lectin with hitherto unknown function. The human cDNA was cloned and sequenced. The protein, designated uPARAP, is a member of the macrophage mannose receptor protein family and contains a putative collagen-binding (fibronectin type II) domain in addition to 8 C-type carbohydrate recognition...... domains. It proved capable of binding strongly to a single type of collagen, collagen V. This collagen binding reaction at the exact site of plasminogen activation on the cell may lead to adhesive functions as well as a contribution to cellular degradation of collagen matrices....

  17. Effect of Phosphorylation and Copper(II or Iron(II Ions Enrichment on Some Physicochemical Properties of Spelt Starch

    Directory of Open Access Journals (Sweden)

    Jacek Rożnowski

    Full Text Available ABSTRACT: This paper provides an assessment of the effect of saturation of spelt starch and monostarch phosphate with copper or iron ions on selected physicochemical properties of the resulting modified starches. Native and modified spelt starch samples were analyzed for selected mineral element content using Atomic Absorption Spectroscopy (AAS. Thermodynamic properties were measured using DSC, and pasting properties by RVA. Flow curves of 5% pastes were plotted and described using the Herschel-Bulkley model. The structure recovery ratio was measured. AAS analysis established the presence of iron(II and copper(II ions in the samples of modified starches and that potassium and magnesium ions had leached from them. In comparison to unfortified samples, enriching native starch with copper(II ions decreases value of all temperatures of phase transformation about 1.3-2.7 °C, but in case of monostarch phosphates bigger changes (2.8-3.7 °C were observed. Fortified native spelt starch with copper(II ions caused increasing the final viscosity of paste from 362 to 429 mPa·s. However, presence iron(II ions in samples caused reduced its final viscosity by 170 (spelt starch and 103 mPa·s (monostarch phosphate. Furthermore, enriching monostarch phosphate contributed to reduce degree of structure recovery of pastes from 70.9% to 66.6% in case of copper(II ions and to 59.9% in case of iron(II ions.

  18. Synthesis, structure characterization, DNA binding, and cleavage properties of mononuclear and tetranuclear cluster of copper(II) complexes.

    Science.gov (United States)

    Vafazadeh, Rasoul; Hasanzade, Naime; Heidari, Mohammad Mehdi; Willis, Anthony C

    2015-01-01

    Two copper(II) complexes, cluster 1, and mononuclear 2, have been synthesized by reacting acetylacetone and benzohydrazide (1:1 ratio for 1 and 1:2 ratio for 2) with CuCl(2) in a methanol solution. In 2, which is a new complex, the ligand acts as a tetradentate which binds the metal ion via two amide-O atoms and two imine-N atoms providing an N(2)O(2) square-planar around the copper(II) ion. The absorption spectra data evidence strongly suggested that the two copper(II) compounds could interact with CT-DNA (intrinsic binding constant, K(b) = 0.45×10(4) M-1 for 1 and K(b) = 2.39×10(4) M-1 for 2). The super coiled plasmid pBR322 DNA cleavage ability was studied with 1 and 2 in the presence and absence of H(2)O(2) as an oxidant. In both the absence and the presence of an oxidizing agent, complex 2 exhibited no nuclease activity. However, even in the absence of an oxidant, complex 1 exhibited significant DNA cleavage activity.

  19. Investigating and Optimizing Interfacial Properties of Electrode Materials for Lithium-ion and Sodium-ion Batteries

    OpenAIRE

    Alvarado, Judith Elizabeth

    2017-01-01

    The current commercial lithium ion battery utilizes “host-guest” electrodes that allow for the intercalation of lithium between the crystal lattice of the anode and cathode materials. The lithium ions are transported through the electrolyte medium during the charge/discharge process, Given their success, lithium ion batteries have now penetrated the electric vehicle market and large scale grid storage, which require batteries with much higher energy densities. To meet this demand, alternative...

  20. Perturbed Angular Correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida

    199mHg PAC and 199Hg NMR spectroscopic properties, nuclear quadrupole coupling constants, Q, asymmetry parameters, , and chemical shifts, , respectively, are the fingerprint of the local molecular and electronic structure, at the probed Hg nuclei. For this reason, these spectroscopic techniques...... computationally demanding Coupled Cluster results. We also determined to what degree the computationally cheaper approximate relativistic methods ZORA(-4) and SR-ZORA-4 at the DFT level can reproduce fully-relativistic results. As a result, we proposed reliable computational methods applicable to Hg binding sites...

  1. Synthesis and corrosion properties of silicon nitride films by ion beam assisted deposition

    Science.gov (United States)

    Baba, K.; Hatada, R.; Emmerich, R.; Enders, B.; Wolf, G. K.

    1995-12-01

    Silicon nitride films SiN x were deposited on 316L austenitic stainless steel substrates by silicon evaporation and simultaneous nitrogen ion irradiation with an acceleration voltage of 2 kV. In order to study the influence of the nitrogen content on changes in stoichiometry, structure, morphology, thermal oxidation behaviour and corrosion behaviour, the atom to ion transport ratio was systematically varied. The changes of binding states and the stoichiometry were evaluated with XPS and AES analysis. A maximum nitrogen content was reached with a {Si}/{N} transport ratio lower than 2. The films are chemically inert when exposed to laboratory atmosphere up to a temperature of more than 1000°C. XRD and SEM measurements show amorphous and featureless films for transport ratios {Si}/{N} from 1 up to 10. The variation of the corrosion behaviour of coated stainless steel substrates in sulphuric acid and hydrochloric acid shows a minimum at medium transport ratios. This goes parallel with changes in porosity and adhesion. Additional investigations showed that titanium implantation as an intermediate step improves the corrosion resistance considerably.

  2. Density-functional tight-binding investigation of the structure, stability and material properties of nickel hydroxide nanotubes

    Science.gov (United States)

    Jahangiri, Soran; Mosey, Nicholas J.

    2018-01-01

    Nickel hydroxide is a material composed of two-dimensional layers that can be rolled up to form cylindrical nanotubes belonging to a class of inorganic metal hydroxide nanotubes that are candidates for applications in catalysis, energy storage, and microelectronics. The stabilities and other properties of this class of inorganic nanotubes have not yet been investigated in detail. The present study uses self-consistent-charge density-functional tight-binding calculations to examine the stabilities, mechanical properties, and electronic properties of nickel hydroxide nanotubes along with the energetics associated with the adsorption of water by these systems. The tight-binding model was parametrized for this system based on the results of first-principles calculations. The stabilities of the nanotubes were examined by calculating strain energies and performing molecular dynamics simulations. The results indicate that single-walled nickel hydroxide nanotubes are stable at room temperature, which is consistent with experimental investigations. The nanotubes possess size-dependent mechanical properties that are similar in magnitude to those of other inorganic nanotubes. The electronic properties of the nanotubes were also found to be size-dependent and small nickel oxyhydroxide nanotubes are predicted to be semiconductors. Despite this size-dependence, both the mechanical and electronic properties were found to be almost independent of the helical structure of the nanotubes. The calculations also show that water molecules have higher adsorption energies when binding to the interior of the nickel hydroxide nanotubes when compared to adsorption in nanotubes formed from other two-dimensional materials such as graphene. The increased adsorption energy is due to the hydrophilic nature of nickel hydroxide. Due to the broad applications of nickel hydroxide, the nanotubes investigated here are also expected to be used in catalysis, electronics, and clean energy production.

  3. Optical properties of ion beam modified waveguide materials doped with erbium and silver

    Science.gov (United States)

    Strohhöfer, Christof

    2001-12-01

    In the first part of this thesis we investigate codoping of erbium-doped waveguide materials with different ions in order to increase the efficiency of erbium-doped optical amplifiers. Codoping with ytterbium can overcome the limitations due to the small absorption cross section of Er3+ in Al2O3 at 980nm. Yb3+ absorbs radiation of that wavelength efficiently and transfers energy to Er3+. In Al2O3 we have measured energy transfer rates of up to 2500s-1. However, in designing erbium/ytterbium codoped amplifiers care has to be taken to optimise the Yb3+ concentration, since its large absorption cross section strongly depletes the 980nm pump in a waveguide. Codoping with europium or cerium increases the transition rate between the second and first excited state of Er3+ in Y2O3. This provides a higher population in the first excited state of erbium in optical amplifiers pumped at 980nm. Due to the specific energy level structure of the ions, the increase of the transition rate is twice as large for europium codoping than for cerium codoping. Codoping Er-doped glass with silver ions largely increases the excitation probability of erbium when excited in the ultraviolet and visible. The excitation spectrum shows that the pump absorption takes place at Ag-related centres. From there the energy is transferred to Er3+. The second part of this thesis is devoted to the study of metallodielectric composites consisting of silver nanocrystals in glass. These composites are fabricated by ion implantation of inert gas ions into Na+?Ag+ ion-exchanged glass. We demonstrate two applications of the optical properties of these materials: (a) integration of the silver nanocrystals in optical waveguides provides long wavelength pass filters, whose cut-off depends on the length of the region containing Ag nanocrystals. (b) The strong variation of the index of refraction of the metallodielectric in the visible region can be used for the formation of diffraction gratings, written directly

  4. Thermal, structural and magnetic properties of some zinc phosphate glasses doped with manganese ions

    International Nuclear Information System (INIS)

    Pascuta, Petru; Bosca, Maria; Borodi, Gheorghe; Culea, Eugen

    2011-01-01

    Research highlights: → MnO) x .(P 2 O 5 ) 40 .(ZnO) 60-x glasses (0 ≤ x ≤ 20 mol%) were prepared by the melt-quenching technique. → The DTA data indicate a good thermal stability of the studied glasses. → EPR spectra shows isolated Mn 2+ ions in octahedral symmetric sites or to associated ones when the Mn 2+ ions are involved in dipole-dipole and/or superexchange interactions. → The magnetic susceptibility data revealed superexchange magnetic interactions involving manganese ions, antiferromagnetically coupled for the sample containing 20 mol% MnO. - Abstract: (MnO) x .(P 2 O 5 ) 40 .(ZnO) 60-x glasses containing different concentrations of MnO ranging from 0 to 20 mol% were prepared by the melt-quenching technique. The samples had a fixed P 2 O 5 content of 40 mol% and the MnO:ZnO ratio was varied. The thermal, structural and magnetic properties of these glasses were investigated by means of differential thermal analysis (DTA), electron paramagnetic resonance (EPR) and magnetic susceptibility measurements. Compositional dependence of the glass transition (T g ), crystallization (T p ) and melting temperatures were determined by DTA investigations. From the dependence of the T g on the heating rate (a), the activation energy of the glass transition (E g ) was calculated. The fragility index (F) for the studied glasses was determined to see whether these materials are obtained from kinetically strong-glass-forming (KS) or kinetically fragile-glass forming (KF) liquids. The EPR spectra of the studied glasses revealed absorptions centered at g ∼ 2.0, 3.3 and 4.3. The compositional variations of the intensity and line width of these absorption lines was interpreted in terms of the variation in the concentration of the Mn 2+ and Mn 3+ ions in the glass and the interaction between the manganese ions. EPR and magnetic susceptibility data reveal that both Mn 2+ and Mn 3+ ions are present in the studied glasses, their relative concentration being dependent on

  5. Surface modification of spinel λ-MnO2 and its lithium adsorption properties from spent lithium ion batteries

    International Nuclear Information System (INIS)

    Li, Li; Qu, Wenjie; Liu, Fang; Zhao, Taolin; Zhang, Xiaoxiao; Chen, Renjie; Wu, Feng

    2014-01-01

    Highlights: • A method is designed to synthesize a λ-MnO 2 ion-sieve for lithium ions adsorption. • Ultrasonic treatment with acid is highly efficient for lithium ions extraction. • Surface modification by CeO 2 is used to improve the adsorption capacity. • A 0.5 wt.% CeO 2 -coated ion-sieve shows the best adsorption properties. • λ-MnO 2 ion-sieves are promising for recovering scarce lithium resources. - Abstract: Spinel λ-MnO 2 ion-sieves are promising materials because of their high selectivity toward lithium ions, and this can be applied to the recovery of lithium from spent lithium ion batteries. However, manganese dissolution loss during the delithiation of LiMn 2 O 4 causes a decrease in adsorption capacity and poor cycling stability for these ion-sieves. To improve the lithium adsorption properties of λ-MnO 2 ion-sieves, surface modification with a CeO 2 coating was studied using hydrothermal-heterogeneous nucleation. The structure, morphology and composition of the synthesized materials were determined by XRD, SEM, TEM and EDS. The effect of hydrothermal synthesis conditions and the amount of CeO 2 coating on the adsorption performance of λ-MnO 2 were also investigated. A 0.5 wt.% CeO 2 -coated ion-sieve was synthesized by heating at 120 °C for 3 h and it had better adsorption properties than the bare samples. The effect of ultrasonic treatment on the lithium extraction ratio from LiMn 2 O 4 upon acid treatment at various temperatures was studied and the results were compared with conventional mechanical stirring. We found that ultrasonic treatment at lower temperature gave almost the same maximum lithium extraction ratio and was more efficient and economic

  6. Binding properties of alpha-1 adrenergic receptors in rat cerebral cortex: similarity to smooth muscle

    Energy Technology Data Exchange (ETDEWEB)

    Minneman, K.P.

    1983-12-01

    The characteristics of alpha-1 adrenergic receptors in rat cerebral cortex were examined using the radioiodinated alpha-1 adrenergic receptor antagonist ((/sup 125/I)BE). (/sup 125/I)BE labeled a single class of high-affinity binding sites in a particulate fraction of rat cerebral cortex with mass action kinetics and a KD of 57 pM. The binding of (/sup 125/I)BE was inhibited by various alpha adrenergic receptor antagonists, partial agonists and full agonists. The potency of these compounds in competing for the (/sup 125/I)BE binding sites suggested that (/sup 125/I)BE was labeling alpha-1 adrenergic receptors in rat cerebral cortex. In the absence of a physiological concentration of NaCl in the assay medium there was a small (20%) decrease in the density of (/sup 125/I)BE binding sites with no effect on the KD value. The absence of NaCl also caused a 4-fold increase in the potency of norepinephrine in competing for (/sup 125/I)BE binding sites. All drugs competed for (/sup 125/I) BE binding sites with Hill coefficients greater than 0.86, except for oxymetazoline which had a Hill coefficient of 0.77. Scatchard analysis of specific (/sup 125/I)BE binding in the presence of various competing drugs showed that the inhibition by both agonists and antagonists was purely competitive, but the inhibition by oxymetazoline was complex. Treatment of the particulate fraction of rat cerebral cortex with 0.2 to 200 nM phenoxybenzamine for 10 min caused a dose-dependent decrease in the density of (/sup 125/I) BE binding sites which could be mostly blocked by the presence of norepinephrine during the phenoxybenzamine exposure.

  7. Breakthrough properties of chloride ions in columns of lead phosphate hydroxide

    International Nuclear Information System (INIS)

    Akiba, Kenichi; Hashimoto, Hiroyuki; Mimura, Hitoshi; Shindo, Manabu.

    1994-01-01

    Breakthrough properties of chloride ion (Cl - ) have been studied by using columns packed with a granular anion-exchanger of lead phosphate hydroxide (Pb 10 (PO 4 ) 6 (OH) 2 , IXE-1000G). The column utilization of the ratio of breakthrough capacity to total capacity increased with decreasing particle size and increasing temperature. The collection of Cl - from a simulated waste solution was improved by the addition of cation-exchange to IXE-1000G; the adsorption capacity of the column of IXE-1000G/IXE-300G (Sb type cation-exchanger) was over 0.16 mmol Cl - /g, yielding a relatively high column utilization of 75%. (author)

  8. Electrical properties of Ga ion beam implanted GaAs epilayer

    International Nuclear Information System (INIS)

    Hirayama, Yoshiro; Okamoto, Hiroshi

    1985-01-01

    Resistivity enhancement by 5 orders or more was realized by Ga focused ion beam implantation into n + and p + GaAs epilayers. For originally n + epilayers, this resistivity enhancement is maintained after annealing as high as 800 deg C. However this enhancement disappears after annealing at above 650 deg C for p + epilayer. This property makes GaAs high resistive only in a limited area whose minimum dimension is 0.1 μm or less, and is attractive for a device fabrication process to electrically isolate integrated elements. (author)

  9. Negative-ion beam surface modification of tissue-culture polystyrene dishes for changing hydrophilic and cell-attachment properties

    International Nuclear Information System (INIS)

    Tsuji, H.; Satoh, H.; Ikeda, S.; Ikemura, S.; Gotoh, Y.; Ishikawa, J.

    1999-01-01

    Negative-silver-ion implantation into tissue-culture polystyrene (TCPS) dishes was investigated and it was found to modify hydrophilic and cell attachment properties of the dishes. Negative-ion implantation has an advantage of being almost free of surface charging, and is a suitable method for implantation into insulators such as polymers. Negative silver ions are used due to the antibacterial property of silver. Ag-implanted TCPS dishes had a contact angle larger than the normal value of 66 deg. of unimplanted dishes. The contact angle of water had a strong dependence on the ion energy rather than the dose. As a cell-culture experiment, human umbilical vascular endothelial cell (HUVEC) was used in unimplanted and Ag-implanted TCPS dishes, the implantation removed the cell-attachment property of the surface. In implantation with a mask with a striped pattern, most attached cells of HUVEC were in the unimplanted region aligned along a stripe direction

  10. Energetic and binding properties of DNA upon interaction with dodecyl trimethylammonium bromide.

    Science.gov (United States)

    Bathaie, S Z; Moosavi-Movahedi, A A; Saboury, A A

    1999-02-15

    The interaction of dodecyl trimethylammonium bromide (DTAB), a cationic surfactant, with calf thymus DNA has been studied by various methods, including potentiometric technique using DTAB-selective plastic membrane electrode at 27 and 37 degreesC, isothermal titration microcalorimetry and UV spectrophotometry at 27 degreesC using 0.05 M Tris buffer and 0.01 M NaCl at pH 7.4. The free energy is calculated from binding isotherms on the basis of Wyman binding potential theory and the enthalpy of binding according to van't Hoff relation. The enthalpy of unfolding has been determined by subtraction of the enthalpy of binding from the microcalorimetric enthalpy. The results show that, after the interaction of first DTAB molecule to DNA (base molarity) through the electrostatic interaction, the second DTAB molecule also binds to DNA through electrostatic interaction. At this stage, the predom-inant DNA conformational change occurs. Afterwards up to 20 DTAB molecules, below the critical micelle concentration of DTAB, bind through hydrophobic interactions.

  11. Prediction of small molecule binding property of protein domains with Bayesian classifiers based on Markov chains.

    Science.gov (United States)

    Bulashevska, Alla; Stein, Martin; Jackson, David; Eils, Roland

    2009-12-01

    Accurate computational methods that can help to predict biological function of a protein from its sequence are of great interest to research biologists and pharmaceutical companies. One approach to assume the function of proteins is to predict the interactions between proteins and other molecules. In this work, we propose a machine learning method that uses a primary sequence of a domain to predict its propensity for interaction with small molecules. By curating the Pfam database with respect to the small molecule binding ability of its component domains, we have constructed a dataset of small molecule binding and non-binding domains. This dataset was then used as training set to learn a Bayesian classifier, which should distinguish members of each class. The domain sequences of both classes are modelled with Markov chains. In a Jack-knife test, our classification procedure achieved the predictive accuracies of 77.2% and 66.7% for binding and non-binding classes respectively. We demonstrate the applicability of our classifier by using it to identify previously unknown small molecule binding domains. Our predictions are available as supplementary material and can provide very useful information to drug discovery specialists. Given the ubiquitous and essential role small molecules play in biological processes, our method is important for identifying pharmaceutically relevant components of complete proteomes. The software is available from the author upon request.

  12. ACE applied to the quantitative characterization of benzo-18-crown-6-ether binding with alkali metal ions in a methanol-water solvent system

    Czech Academy of Sciences Publication Activity Database

    Ehala, Sille; Makrlík, E.; Toman, Petr; Kašička, Václav

    2010-01-01

    Roč. 31, č. 4 (2010), s. 702-708 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA203/08/1428; GA ČR(CZ) GA203/09/0675; GA AV ČR 1ET400500402 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40500505 Keywords : affinity capillary electrophoresis * alkali metal ions * binding constant Subject RIV: CB - Analytical Chemistry , Separation Impact factor: 3.569, year: 2010

  13. Expression of binding properties of Gal/GalNAc reactive lectins by mammalian glycotopes (an updated report).

    Science.gov (United States)

    Wu, A M

    2001-01-01

    Expression of the binding properties of Gal/GalNAc specific lectins, based on the affinity of decreasing order of mammalian glycotopes (determinants) rather than monosaccharide inhibition pattern, is probably one of the best ways to express carbohydrate specifity and should facilitate the selection of lectins as structural probes for studying mammalian glycobiology. Eleven mammalian structural units have been selected to express the binding domain of applied lectins. They are: 1. F, GalNAcalpha1 --> 3GalNAc; 2. A, GalNAcalpha1 --> 3Gal; 3. T, Galbeta1 --> 3GalNAc; 4. I, Galbeta 1 --> 3GlcNAc; 5. II, Galbeta1 --> 4GlcNAc; 6. B, Galalpha1 --> 3Gal; 7. E, Galalpha1--> 4Gal; 8. L, Galbeta1 --> 4Glc; 9. P, GalNAcbeta1 --> 3Gal; 10. S, GalNAcbeta1 --> 4Gal and 11. Tn, GalNAcalpha1 --> 4Ser (Thr) of the peptide chain. Thus, the carbohydrate specificity of Gal/GalNAc reactive lectins can be divided into classes according to their highest affinity for the above disaccharides and/or Tn residue. Examples of the binding properties of these lectins can be demonstrated by Ricimus communis agglutinin (RCA1), grouped as II specific lectin and its binding property is II > I > B > T; Ahrus precatorius agglutinin (APA), classified as T and its carbohydrate specificity is T > I/II > E > B > Tn; Artocarpus integrifolia (jacalin, AIL), as T/Tn specific and its binding reactivity is T > Tn > I (II) and Geodia cydonium (GCL), as F/A specific, and with affinity for F > Ah [GalNAcalpha1-->43(L(Fuc)alpha1-->2)Gal] > I > L. Due to the multiple reactivity of lectins toward mammalian glycotopes, the possible existence of different combining sites or subsites in the same molecule has to be examined, and the differential binding properties of these combining sites (if any) have to be characterized. To establish the relationship among the amino acid sequences of the combining sites of plant lectins and mammalian glycotopes should be an important direction to be addressed in lectinology.

  14. Functional modulation of cerebral gamma-aminobutyric acidA receptor/benzodiazepine receptor/chloride ion channel complex with ethyl beta-carboline-3-carboxylate: Presence of independent binding site for ethyl beta-carboline-3-carboxylate

    Energy Technology Data Exchange (ETDEWEB)

    Taguchi, J.; Kuriyama, K. (Kyoto Prefectural Univ. of Medicine (Japan))

    1990-05-01

    Effect of ethyl beta-carboline-3-carboxylate (beta-CCE) on the function of gamma-aminobutyric acid (GABA)A receptor/benzodiazepine receptor/chloride ion channel complex was studied. Beta-CCE noncompetitively and competitively inhibited (3H)flunitrazepam binding to benzodiazepine receptor, but not (3H)muscimol binding to GABAA receptor as well as t-(3H)butylbicycloorthobenzoate (( 3H) TBOB) binding to chloride ion channel, in particulate fraction of the mouse brain. Ro15-1788 also inhibited competitively (3H) flunitrazepam binding. On the other hand, the binding of beta-(3H)CCE was inhibited noncompetitively and competitively by clonazepam and competitively by Ro15-1788. In agreement with these results, benzodiazepines-stimulated (3H)muscimol binding was antagonized by beta-CCE and Ro15-1788. Gel column chromatography for the solubilized fraction from cerebral particulate fraction by 0.2% sodium deoxycholate (DOC-Na) in the presence of 1 M KCl indicated that beta-(3H)CCE binding site was eluted in the same fraction (molecular weight, 250,000) as the binding sites for (3H)flunitrazepam, (3H)muscimol and (3H)TBOB. GABA-stimulated 36Cl- influx into membrane vesicles prepared from the bovine cerebral cortex was stimulated and attenuated by flunitrazepam and beta-CCE, respectively. These effects of flunitrazepam and beta-CCE on the GABA-stimulated 36Cl- influx were antagonized by Ro15-1788. The present results suggest that the binding site for beta-CCE, which resides on GABAA receptor/benzodiazepine receptor/chloride ion channel complex, may be different from that for benzodiazepine. Possible roles of beta-CCE binding site in the allosteric inhibitions on benzodiazepine binding site as well as on the functional coupling between chloride ion channel and GABAA receptor are also suggested.

  15. Physical and biological properties of the ion beam irradiated PMMA-based composite films

    Science.gov (United States)

    Shanthini, G. M.; Martin, Catherine Ann; Sakthivel, N.; Veerla, Sarath Chandra; Elayaraja, K.; Lakshmi, B. S.; Asokan, K.; Kanjilal, D.; Kalkura, S. Narayana

    2015-02-01

    Polymethyl methacrylate (PMMA) and PMMA-hydroxyapatite (PMMA-HAp) composite films, prepared by the solvent evaporation method were irradiated with 100 MeV Si7+ ions. Crystallographic, morphological and the functional groups of the pristine and irradiated samples were studied using glancing incident X-ray diffraction (GIXRD), scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) respectively. SEM reveals the creation of pores, along with an increase in porosity and cluster size on irradiation. Decrease in crystalline nature and crystallite size with an increase in ion fluence was observed from GIXRD patterns. The surface roughness and the wettability of the material were also enhanced, which could favour the cell-material interaction. The irradiated samples adsorbed significantly greater amount of proteins than pristine. Also, irradiation does not produce any toxic byproducts or leachants, and maintains the viability of 3T3 cells. The response of the irradiated samples towards biomedical applications was demonstrated by the improved antimicrobial activity, haemocompatibility and cytocompatibility. Swift heavy ion irradiation (SHI) could be an effective tool to modify and engineer the surface properties of the polymers to enhance the biocompatibility.

  16. Correlation, Breit and Quantum Electrodynamics effects on energy level and transition properties of W54+ ion

    Science.gov (United States)

    Ding, Xiaobin; Sun, Rui; Koike, Fumihiro; Kato, Daiji; Murakami, Izumi; Sakaue, Hiroyuki A.; Dong, Chenzhong

    2017-03-01

    The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]3s23p63d2 and first excited states [Ne]3s23p53d3 of W54+ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space method was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W54+ ion. Contribution to the Topical Issue "Atomic and Molecular Data and their Applications", edited by Gordon W.F. Drake, Jung-Sik Yoon, Daiji Kato, Grzegorz Karwasz.

  17. [Ion-exchange properties of cell walls of red seaweed Phyllophora crispa].

    Science.gov (United States)

    Meĭchik, N R; Popova, N I; Nikolaeva, Iu I; Ermakov, I P; Kamnev, A N

    2011-01-01

    Research into ion-exchange properties of cell walls isolated from thallus of red seaweed Phyllophora crispa was carried out. Ion-exchange capacity and the swelling coefficient of the red alga cell walls were estimated at various pH values (from 2 to 12) and at constant ionic strength of a solution (10 mM). It was established that behavior of cell walls as ion-exchangers is caused by the presence in their matrix of two types of cation-exchange groups and amino groups. The amount of the functional group of each type was estimated, and the corresponding values of pK(a) were calculated. It can be assumed that ionogenic groups with pK(a) -5 are carboxyl groups of uronic acids, and ionogenic groups with pK(a) -7.5 are carboxyl groups of the proteins. Intervals of pH in which cation-exchange groups are ionized and can take part in exchange reactions with cations in the environment are defined. It was found that protein was a major component of cell wall polymeric matrix because its content was 36%.

  18. Physical and optical properties of sodium borate glasses doped with Dy3+ ions

    Science.gov (United States)

    Alajerami, Y. S. M.; Abushab, K. M.; Alagha, S. I.; Mhareb, M. H. A.; Saidu, A.; Kodeh, F. S.; Ramadan, Kh.

    2017-09-01

    The photoluminescence, optical and physical properties of sodium borate (NB) doped with different concentrations of Dy3+ were determined and well discussed. The samples were prepared by the melt-quenching technique and characterized by X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy. Photoluminescence and absorption spectra of NB glasses doped with different concentrations of Dy3+ are reported. Ten absorption bands with hypersensitive transition at 1272 nm (6F11/2 →6H 9/2) and two emission bands for the transitions at 4F 9/2 →6H 15/2 (blue color) and 4F 9/2 →6H 13/2 (yellow color) with an excitation of 330 nm have been recorded. A series of considerable physical properties (oscillator strengths, refractive index, ions concentration, polaron radius) was calculated for each dopant concentration.

  19. The Progress of Photoluminescent Properties of Rare-Earth-Ions-Doped Phosphate One-Dimensional Nanocrystals

    Directory of Open Access Journals (Sweden)

    Lixin Yu

    2010-01-01

    Full Text Available One-dimensional (1D nanostructures, such as tubes, wires, rods, and belts, have aroused remarkable attentions over the past decade due to a great deal of potential applications, such as data storage, advanced catalyst, and photoelectronic devices . On the other hand, in comparison with zero-dimensional (0D nanostructures, the space anisotropy of 1D structures provided a better model system to study the dependence of electronic transport, optical and mechanical properties on size confinement and dimensionality. Rare earth (RE compounds, were intensively applied in luminescent and display devices. It is expected that in nanosized RE compounds the luminescent quantum efficiency (QE and display resolution could be improved. In this paper, we systematically reported the research progress of luminescent properties of RE-doped 1D orthophosphate nanocrystal, including the synthesis of 1D nanostructures doped with RE ions, local symmetry of host, electronic transition processes, energy transfer (ET, and so forth.

  20. Carboxylated dithiafulvenes and tetrathiafulvalene vinylogues: synthesis, electronic properties, and complexation with zinc ions

    Directory of Open Access Journals (Sweden)

    Yunfei Wang

    2015-06-01

    Full Text Available A class of carboxyl and carboxylate ester-substituted dithiafulvene (DTF derivatives and tetrathiafulvalene vinylogues (TTFVs has been synthesized and their electronic and electrochemical redox properties were characterized by UV–vis spectroscopic and cyclic voltammetric analyses. The carboxyl-TTFV was applied as a redox-active ligand to complex with Zn(II ions, forming a stable Zn-TTFV coordination polymer. The structural, electrochemical, and thermal properties of the coordination polymer were investigated by infrared spectroscopy, cyclic voltammetry, powder X-ray diffraction, and differential scanning calorimetric analyses. Furthermore, the microscopic porosity and surface area of the Zn-TTFV coordination polymer were measured by nitrogen gas adsorption analysis, showing a BET surface of 148.2 m2 g−1 and an average pore diameter of 10.2 nm.

  1. Mistletoe lectin I in complex with galactose and lactose reveals distinct sugar-binding properties

    Energy Technology Data Exchange (ETDEWEB)

    Mikeska, Ruth [Institute of Biochemistry and Food Chemistry, University of Hamburg, c/o DESY, Notkestrasse 85, Building 22a, 22603 Hamburg (Germany); Wacker, Roland [Institute of Physiological Chemistry, University of Tübingen, Hoppe-Seyler-Strasse 4, 72076 Tübingen (Germany); Arni, Raghuvir [Department of Physics, IBILCE/UNESP, São Jose do Rio Preto, São Paul (Brazil); Singh, Tej P. [Department of Biophysics, All India Institute of Medical Sciences, New Delhi (India); Mikhailov, Albert; Gabdoulkhakov, Azat [Institute of Crystallography of Russian Academy of Sciences, Leninsky Prospect 59, 117333 Moscow (Russian Federation); Voelter, Wolfgang [Institute of Physiological Chemistry, University of Tübingen, Hoppe-Seyler-Strasse 4, 72076 Tübingen (Germany); Betzel, Christian, E-mail: betzel@unisgi1.desy.de [Institute of Biochemistry and Food Chemistry, University of Hamburg, c/o DESY, Notkestrasse 85, Building 22a, 22603 Hamburg (Germany)

    2005-01-01

    The structures of mistletoe lectin I in complex with lactose and galactose reveal differences in binding by the two known sites in subdomains α1 and γ2 and suggest the presence of a third low-affinity site in subdomain β1. The structures of mistletoe lectin I (ML-I) from Viscum album complexed with lactose and galactose have been determined at 2.3 Å resolution and refined to R factors of 20.9% (R{sub free} = 23.6%) and 20.9 (R{sub free} = 24.6%), respectively. ML-I is a heterodimer and belongs to the class of ribosome-inactivating proteins of type II, which consist of two chains. The A-chain has rRNA N-glycosidase activity and irreversibly inhibits eukaryotic ribosomes. The B-chain is a lectin and preferentially binds to galactose-terminated glycolipids and glycoproteins on cell membranes. Saccharide binding is performed by two binding sites in subdomains α1 and γ2 of the ML-I B-chain separated by ∼62 Å from each other. The favoured binding of galactose in subdomain α1 is achieved via hydrogen bonds connecting the 4-hydroxyl and 3-hydroxyl groups of the sugar moiety with the side chains of Asp23B, Gln36B and Lys41B and the main chain of 26B. The aromatic ring of Trp38B on top of the preferred binding pocket supports van der Waals packing of the apolar face of galactose and stabilizes the sugar–lectin complex. In the galactose-binding site II of subdomain γ2, Tyr249B provides the hydrophobic stacking and the side chains of Asp235B, Gln238B and Asn256B are hydrogen-bonding partners for galactose. In the case of the galactose-binding site I, the 2-hydroxyl group also stabilizes the sugar–protein complex, an interaction thus far rarely detected in galactose-specific lectins. Finally, a potential third low-affinity galactose-binding site in subunit β1 was identified in the present ML-I structures, in which a glycerol molecule from the cryoprotectant buffer has bound, mimicking the sugar compound.

  2. Physico-chemical study of new non-ionic surfactants. Influence of ions on aggregation properties

    International Nuclear Information System (INIS)

    Coulombeau, H.

    2003-01-01

    New di-block thermo-sensitive metal chelating surfactants have been synthesised. They are based on polyethoxylated non-ionic surfactants (CiEj). A lysine block is linked either to the extremity of a CiEj (surfactant 2) or in a branched position (surfactant 1). These molecules retain the cloud point and the surface-active properties exhibited by the CiEj surfactants. Moreover they possess good complexing properties towards certain ions, which allows them to be successfully applied to cloud point extraction. In both cases, the cloud point and the area per headgroup at the air-water interface are higher than those of the analogous CiEj, which shows the hydrophilic contribution of the lysine block. Macroscopic properties (phase diagrams) and microscopic properties (shape of the aggregates and interactions between them) of the water-surfactant systems have been studied at ambient temperature. Small angle X-Rays scattering (SAXS) and small angle neutrons scattering (SANS) have shown that the new di-block surfactants form spherical micelles at low concentrations. The influence of non complexed salts on the new surfactants is the same as on classical CiEj: salting-in and salting-out phenomena occur according to the Hofmeister series. The effect of a complexed ion, uranyl cation, is however unusual: it leads to a sphere to rod transition, in turn lowering significantly the cloud point, which goes against the expectations on basis of the Hofmeister series. Finally, a preliminary study of ternary mixtures, water-surfactant 1-oil, is presented. It revealed the formation of microemulsions and pointed out that the surfactant film is then a lot more rigid than that formed with classical CiEj. (author)

  3. Determination of the binding properties of the uremic toxin phenylacetic acid to human serum albumin.

    Science.gov (United States)

    Saldanha, Juliana F; Yi, Dan; Stockler-Pinto, Milena B; Soula, Hédi A; Chambert, Stéphane; Fouque, Denis; Mafra, Denise; Soulage, Christophe O

    2016-06-01

    Uremic toxins are compounds normally excreted in urine that accumulate in patients with chronic kidney disease as a result of decreased renal clearance. Phenylacetic acid (PAA) has been identified as a new protein bound uremic toxin. The purpose of this study was to investigate in vitro the interaction between PAA and human serum albumin (HSA) at physiological and pathological concentrations. We used ultrafiltration to show that there is a single high-affinity binding site for PAA on HSA, with a binding constant on the order of 3.4 × 10(4) M(-1) and a maximal stoichiometry of 1.61 mol per mole. The PAA, at the concentration reported in end-stage renal patients, was 26% bound to albumin. Fluorescent probe competition experiments demonstrated that PAA did not bind to Sudlow's site I (in subdomain IIA) and only weakly bind to Sudlow's site II (in subdomain IIIA). The PAA showed no competition with other protein-bound uremic toxins such as p-cresyl-sulfate or indoxyl sulfate for binding to serum albumin. Our results provide evidence that human serum albumin can act as carrier protein for phenylacetic acid. Copyright © 2016 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

  4. Optical, structural, and chemical properties of CR-39 implanted with 5.2 MeV doubly charged carbon ions

    Science.gov (United States)

    Ali, Dilawar; Butt, M. Z.; Ishtiaq, Mohsin; Waqas Khaliq, M.; Bashir, Farooq

    2016-11-01

    Poly-allyl-diglycol-carbonate (CR-39) specimens were irradiated with 5.2 MeV doubly charged carbon ions using Pelletron accelerator. Ion dose was varied from 5 × 1013 to 5 × 1015 ions cm-2. Optical, structural, and chemical properties were investigated by UV-vis spectroscopy, x-ray diffractometer, and FTIR/Raman spectroscopy, respectively. It was found that optical absorption increases with increasing ion dose. Absorption edge shifts from UV region to visible region. The measured opacity values of pristine and ion implanted CR-39 range from 0.0519 to 4.7959 mm-1 following an exponential growth (9141%) with the increase in ion dose. The values of direct and indirect band gap energy decrease exponentially with an increase in ion dose by 59% and 71%, respectively. However, average refractive index in the visible region increases from 1.443 to 2.864 with an increase in ion dose, by 98%. A linear relation between band gap energy and crystallite size was observed. Both the number of carbon atoms in conjugation length and the number of carbon atoms per cluster increase linearly with the increase in ion dose. FTIR spectra showed that on C+2 ions irradiation, the intensity of all bands decreases gradually without appearance of any new band, indicating degradation of polymer after irradiation. Raman spectra revealed that the density of -CH2- group decreases on C+2 ions irradiation. However, the structure of CR-39 is completely destroyed on irradiation with ion dose 1 × 1015 and 5 × 1015 ions cm-2.

  5. The study of optical property of sapphire irradiated with 73 MeV Ca ions

    Science.gov (United States)

    Yang, Yitao; Zhang, Chonghong; Song, Yin; Gou, Jie; Liu, Juan; Xian, Yongqiang

    2015-12-01

    Single crystals of sapphire were irradiated with 73 MeV Ca ions at room temperature to the fluences of 0.1, 0.5 and 1.0 × 1014 ions/cm2. Optical properties of these samples were characterized by ultraviolet-visible spectrometry (UV-VIS) and fluorescence spectrometer (PL). In UV-VIS spectra, it is observed the absorbance bands from oxygen single vacancy (F and F+ color centers) and vacancy pair (F2+ and F22+ color centers). The oxygen single vacancy initially increases rapidly and then does not increase in the fluence range from 0.1 to 0.5 × 1014 ions/cm2. When the fluence is higher than 0.5 × 1014 ions/cm2, oxygen single vacancy starts to increase again. Oxygen vacancy pair increases monotonically with fluence for all irradiated samples. The variation of oxygen single vacancy with fluence is probably associated with the recombination of oxygen vacancies with Al interstitials and complex defect formation (such as vacancy clusters). From PL spectra, two emission bands around 3.1 and 2.34 eV are observed. The PL intensity of the emission band around 3.1 eV decreases for all the irradiated samples. For the emission band around 2.34 eV, the PL intensity initially decreases, and then increases with fluence. Meanwhile, the peak position of the emission band around 2.34 eV gradually shifts to high energy direction with increase of fluence. The decrease of the intensity of the emission bands around 3.1 and 2.34 eV could be induced by stress from the damage layer in the irradiated samples. The shift of peak position for the emission band around 2.34 eV is induced by the appearance of emission band from Al interstitials.

  6. Evaluation of copper ion of antibacterial effect on Pseudomonas aeruginosa, Salmonella typhimurium and Helicobacter pylori and optical, mechanical properties

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young-Hwan [School of Materials Science and Engineering, University of Yonsei, Seoul (Korea, Republic of); Choi, Yu-ri; Kim, Kwang-Mahn [Department and Research Institute of Dental Biomaterials and Bioengineering, College of Dentistry, University of Yonsei, Seoul (Korea, Republic of); Choi, Se-Young, E-mail: sychoi@yonsei.ac.kr [School of Materials Science and Engineering, University of Yonsei, Seoul (Korea, Republic of)

    2012-02-01

    Antibacterial effect on Pseudomonas aeruginosa, Salmonella typhimurium and Helicobacter pylori of copper ion was researched. Also, additional effects of copper ion coating on optical and mechanical properties were researched as well. Copper ion was coated on glass substrate as a thin film to prevent bacteria from growing. Cupric nitrate was used as precursors for copper ion. The copper ion contained sol was deposited by spin coating process on glass substrate. Then, the deposited substrates were heat treated at the temperature range between 200 Degree-Sign C and 250 Degree-Sign C. The thickness of deposited copper layer on the surface was 63 nm. The antibacterial effect of copper ion coated glass on P. aeruginosa, S. typhimurium and H. pylori demonstrated excellent effect compared with parent glass. Copper ion contained layer on glass showed a similar value of transmittance compared with value of parent glass. The 3-point bending strength and Vickers hardness were 209.2 MPa, 540.9 kg/mm{sup 2} which were about 1.5% and 1.3% higher than the value of parent glass. From these findings, it is clear that copper ion coating on glass substrate showed outstanding effect not only in antibacterial activity but also in optical and mechanical properties as well.

  7. Visible-light activate Ag/WO3 films based on wood with enhanced negative oxygen ions production properties

    Science.gov (United States)

    Gao, Likun; Gan, Wentao; Cao, Guoliang; Zhan, Xianxu; Qiang, Tiangang; Li, Jian

    2017-12-01

    The Ag/WO3-wood was fabricated through a hydrothermal method and a silver mirror reaction. The system of visible-light activate Ag/WO3-wood was used to produce negative oxygen ions, and the effect of Ag nanoparticles on negative oxygen ions production was investigated. From the results of negative oxygen ions production tests, it can be observed that the sample doped with Ag nanoparticles, the concentration of negative oxygen ions is up to 1660 ions/cm3 after 60 min visible light irradiation. Moreover, for the Ag/WO3-wood, even after 60 min without irradiation, the concentration of negative oxygen ions could keep more than 1000 ions/cm3, which is up to the standard of the fresh air. Moreover, due to the porous structure of wood, the wood acted as substrate could promote the nucleation of nanoparticles, prevent the agglomeration of the particles, and thus lead the improvement of photocatalytic properties. And such wood-based functional materials with the property of negative oxygen ions production could be one of the most promising materials in the application of indoor decoration materials, which would meet people's pursuit of healthy, environment-friendly life.

  8. Influence of europium (Eu3+) ions on the optical properties of lithium zinc phosphate glasses

    Science.gov (United States)

    Shwetha, M.; Eraiah, B.

    2018-02-01

    Europium doped lithium zinc phosphate glasses with composition xEu2O3-(15-x) Li2O-45ZnO-40P2O5 (where x=0, 0.1, 0.3 and 0.5 mol %) named as EP0, EP1, EP3 and EP5 respectively, are prepared by melt-quenching method and the influence of Eu3+ ions on physical and optical properties of these glasses has been studied. Optical properties were studied using optical absorption spectra which was recorded at room temperature in the UV-Visible region. Optical direct band gap and indirect band gap energies were measured and their values range from 3.167 to 4.23eV and 2.08 to 3.02eV, respectively. Refractive indices have been measured with respect to different concentration of europium ions. Fluorescence spectroscopy measurements have been performed by excitation in the UV-Visible range, which resulted in the significant fluorescence peaks. The luminescence color of the glass system is characterized using Commission International de l’Eclairage de France 1931 standards.

  9. Modification of the Properties of Vanadium Oxide Thin Films by Plasma-Immersion Ion Implantation

    Directory of Open Access Journals (Sweden)

    Sergey Burdyukh

    2018-01-01

    Full Text Available The paper describes the effect of doping with hydrogen and tungsten by means of plasma-immersion ion implantation (PIII on the properties of vanadium dioxide and hydrated vanadium pentoxide films. It is shown that the parameters of the metal-insulator phase transition in VO2 thin films depend on the hydrogen implantation dose. Next, we explore the effect of PIII on composition, optical properties, and the internal electrochromic effect (IECE in V2O5·nH2O films. The variations in the composition and structure caused by the hydrogen insertion, as well as those caused by the electrochromic effect, are studied by nuclear magnetic resonance, thermogravimetry, Raman spectroscopy, and X-ray structural analysis. It is shown that the ion implantation-induced hydrogenation can substantially enhance the manifestation and performance of the IECE in V2O5 xerogel films. Finally, the effect of PIII-assisted doping with W on the parameters of electrical switching in Au/V2O5·nH2O/Au sandwich structures is examined. It is shown that implanting small tungsten doses improves the switching parameters after forming. When implanting large doses, switching is observed without electroforming, and if electroforming is applied, the switching effect, on the contrary, disappears.

  10. Electrochemical Properties of EVOH-SO3Li/PET Lithium Ion Battery Separator via Electrospinning

    Directory of Open Access Journals (Sweden)

    GONG Gui-fen

    2018-03-01

    Full Text Available EVOH-SO3 Li/PET Li-ion battery composite membranes were prepared by means of alternated electrostatic spinning, then the morphology of the membranes was observed by scanning electron microscope, and the electrochemical properties of the membranes were tested by using an electrochemistry work station. The results show that the average diameter of EVOH-SO3 Li/PET fibre is 387nm, both two kinds of fibres exhibit uniform net-like structure. Compared with pure EVOH-SO3 Li fibre, adhesion phenomenon of modified EVOH-SO3 Li/PET fibre is not obvious anymore, and the surface of EVOH-SO3 Li/PET fibre becomes more smooth with enlarged pores between adjacent fibres; the electrochemical window of EVOH-SO3 Li/PET separator is 5.3V, bulk resistance of EVOH-SO3 Li/PET is decreased to 212.31Ω, and the ion conductivity of EVOH-SO3 Li/PET separator is 2.347×10-3 S/cm, the properties of EVOH-SO3 Li/PET membranes are improved compared with EVOH-SO3 Li.

  11. Focused-ion-beam induced interfacial intermixing of magnetic bilayers for nanoscale control of magnetic properties

    International Nuclear Information System (INIS)

    Burn, D M; Atkinson, D; Hase, T P A

    2014-01-01

    Modification of the magnetic properties in a thin-film ferromagnetic/non-magnetic bilayer system by low-dose focused ion-beam (FIB) induced intermixing is demonstrated. The highly localized capability of FIB may be used to locally control magnetic behaviour at the nanoscale. The magnetic, electronic and structural properties of NiFe/Au bilayers were investigated as a function of the interfacial structure that was actively modified using focused Ga + ion irradiation. Experimental work used MOKE, SQUID, XMCD as well as magnetoresistance measurements to determine the magnetic behavior and grazing incidence x-ray reflectivity to elucidate the interfacial structure. Interfacial intermixing, induced by low-dose irradiation, is shown to lead to complex changes in the magnetic behavior that are associated with monotonic structural evolution of the interface. This behavior may be explained by changes in the local atomic environment within the interface region resulting in a combination of processes including the loss of moment on Ni and Fe, an induced moment on Au and modifications to the spin-orbit coupling between Au and NiFe. (paper)

  12. Physicochemical properties of prepared ion-exchangers from cellulose incorporated with different functional groups

    International Nuclear Information System (INIS)

    Nada, A.M.A.; Adel, A.M.

    2005-01-01

    Bagasse raw material and bleached bagasse pulp was used to prepare carbamoyl ethyl and Carboxylated cellulose ion exchangers. The effect of presence of lignin in the bagasse on the properties of the produced resin was estimated. The effect of crosslinking on the properties of the carbamoyl ethyl and carboxyl cellulose was investigated. The molecular structure of the produced resin is followed by using infrared spectroscopy. A new bands was seen at wavenumber 2152 cm-1 and a shoulder at 3140 cm-1 which are characteristic to the cyano group in cyanoethylated cellulose and to amino group in the carbamoyl ethyl cellulose. Also, a band was formed at 1715 cm-1 which formed by hydrolysis of cyanoethyl or carbamoyl ethyl cellulose and was characteristic to carboxyl group. A thermal gravimetric of the produced resin was investigated. The cyano group and carbamoyl group increases the resistance of cellulose toward thermal treatment. The efficiency of the produced resin toward metal ion uptake (Cu, Ni and Cr) from solution was studied

  13. Nanocrystalline hydroxyapatite enriched in selenite and manganese ions: physicochemical and antibacterial properties

    Science.gov (United States)

    Kolmas, Joanna; Groszyk, Ewa; Piotrowska, Urszula

    2015-07-01

    In this work, we used the co-precipitation method to synthesize hydroxyapatite (Mn-SeO3-HA) containing both selenium IV (approximately 3.60 wt.%) and manganese II (approximately 0.29 wt.%). Pure hydroxyapatite (HA), hydroxyapatite-containing manganese (II) ions (Mn-HA), and hydroxyapatite-containing selenite ions alone (SeO3-HA), prepared with the same method, were used as reference materials. The structures and physicochemical properties of all the obtained samples were investigated. PXRD studies showed that the obtained materials were homogeneous and consisted of apatite phase. Introducing selenites into the hydroxyapatite crystals considerably affects the size and degree of ordering. Experiments with transmission electron microscopy (TEM) showed that Mn-SeO3-HA crystals are very small, needle-like, and tend to form agglomerates. Fourier transform infrared spectroscopy (FT-IR) and solid-state nuclear magnetic resonance (ssNMR) were used to analyze the structure of the obtained material. Preliminary microbiological tests showed that the material demonstrated antibacterial activity against Staphylococcus aureus, yet such properties were not confirmed regarding Escherichia coli. PACS codes: 61, 76, 81

  14. Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach.

    Science.gov (United States)

    Sviatenko, Liudmyla K; Gorb, Leonid; Hill, Frances C; Leszczynska, Danuta; Leszczynski, Jerzy

    2016-05-15

    Reduction and oxidation (redox) reactions are widely used for removal of nitrocompounds from contaminated soil and water. Structures and redox properties for complexes of nitrocompounds, such as 2,4,6-trinitrotoluene (TNT), 2,4-dinitrotoluene (DNT), 2,4-dinitroanisole (DNAN), and 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO), with common inorganic ions (Na(+) , Cl(-) , NO3-) were investigated at the SMD(Pauling)/PCM(Pauling)/MPWB1K/TZVP level of theory. Atoms in molecules (AIM) theory was applied to analyze the topological properties of the bond critical points involved in the interactions between the nitrocompounds and the ions. Topological analyses show that intermolecular interactions of the types O(N)…Na(+) , C-H…Cl(-) ( ONO2-), and C…Cl(-) ( ONO2-) may be discussed as noncovalent closed-shell interactions, while N-H···Cl(-) ( ONO2-) hydrogen bonds are partially covalent in nature. Complexation causes significant decrease of redox activity of the nitrocompounds. Analysis of the reduction potentials of the complexes obtained through application of the Pourbaix diagram of an iron/water system revealed that sodium complexes of NTO might be reduced by metallic iron. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  15. Development of ion-exchange properties of bamboo charcoal modified with concentrated nitric acid

    Science.gov (United States)

    Khandaker, S.; Kuba, T.; Toyohara, Y.; Kamida, S.; Uchikawa, Y.

    2017-08-01

    The surface chemistry and the structural properties of activated carbon can be altered by the acidic modification. The objective of this study is to investigate the changes occurring in bamboo charcoal (BC) during activation with concentrated nitric acid. Low temperature (500°C) carbonized BC has been prepared and oxidized with 70% concentrated boiling nitric acid (BC-AC). The porous properties of the BC are analyzed with nitrogen adsorption isotherm at 77 K. The surface structure is observed by Field emission scanning electronic microscope (FESEM) and the surface functional groups are examined by Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and the pH of the point of zero charge (pHPZC). The results reveal that severe oxidation with HNO3 considerably decreases the surface area of BC with enhanced pore widening and FESEM observation demonstrates the erosive effect of oxidation. The FTIR analysis detects that some absorption bands are assigned for carboxyl, aldehyde and ketone groups on BC-AC. The XPS analysis also clearly shows that the ratio of oxygen and acidic functional groups has been enriched significantly on the BC-AC. The low pHPZC value of BC-AC confirms that the surface is highly acidic for the fixation of acidic functional groups on surface. In general, the existence of the abundant amount of acidic functional groups on adsorbents enhances the sorption of heavy metals ions in aqueous solution. Therefore, it is strongly expected that the modified BC, activated under the proposed conditions would be a promising ion exchanger in aqueous solution and can be applied for the adsorption of different heavy metal ions and radioactive materials from effluent.

  16. Electrostatic Properties and Characterization of Textile Materials Affected by Ion Flux

    Directory of Open Access Journals (Sweden)

    Pranas Juozas ŽILINSKAS

    2013-03-01

    Full Text Available This work analyzes the opportunities of wider characterization of textile materials, fabrics, upholstery fabrics, fibers, yarns or others, which may accumulate electric charge. A non-contact way for electrostatic properties measurement based on affecting those materials by ions with positive or negative charge is described. The method allows to measure simultaneously the time dependences of the surface voltage and the electric charge during the charging process and the time dependences of the surface voltage during the discharging process. From the measured dependencies the following set of parameters was measured or calculated: the surface voltage limiting value, the surface voltage semi-decay time, the maximum deposited charge, the layer capacitance, the energy of the accumulated charge and others. The surface voltage distribution measurement method when the investigated textile material is affected by ion flux was also described. To verify the applicability of the proposed methods for characterization of textile materials in order to determine the above-mentioned parameters of cotton, linen, wool, viscose, acetate, polyester, polyester coated with polytetrafluoroethylene, a series of experiments were performed. The surface voltage distribution measurement method based on affecting textile materials by ions with positive charge was described and a surface voltage distribution of a polyester-cotton upholstery fabric produced by a Jacquard mechanism was presented. The performed experiments demonstrate the possibilities of method application for comparison of the electrostatic properties of different textile materials used for the same tasks or the same materials produced by different technological processes.DOI: http://dx.doi.org/10.5755/j01.ms.19.1.3828

  17. Solution properties of the archaeal CRISPR DNA repeat-binding homeodomain protein Cbp2

    DEFF Research Database (Denmark)

    Kenchappa, Chandra; Heiðarsson, Pétur Orri; Kragelund, Birthe

    2013-01-01

    Clustered regularly interspaced short palindromic repeats (CRISPR) form the basis of diverse adaptive immune systems directed primarily against invading genetic elements of archaea and bacteria. Cbp1 of the crenarchaeal thermoacidophilic order Sulfolobales, carrying three imperfect repeats, binds...... specifically to CRISPR DNA repeats and has been implicated in facilitating production of long transcripts from CRISPR loci. Here, a second related class of CRISPR DNA repeat-binding protein, denoted Cbp2, is characterized that contains two imperfect repeats and is found amongst members of the crenarchaeal...... in facilitating high affinity DNA binding of Cbp2 by tethering the two domains. Structural studies on mutant proteins provide support for Cys(7) and Cys(28) enhancing high thermal stability of Cbp2(Hb) through disulphide bridge formation. Consistent with their proposed CRISPR transcriptional regulatory role, Cbp2...

  18. Assembling Metal Ions Induced Cyanide-Bridged Heterometallic 1D and Ion-Pair Complexes: Synthesis, Crystal Structures and Magnetic Properties

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Lingqian [Liaocheng Univ., Liaocheng (China); Zhao, Zengdian; Chen, Kexun; Wang, Ping; Zhang, Daopeng [Shandong Univ. of Technology, Zibo (China)

    2013-07-15

    We obtained a heterobimetallic one-dimensional cyanide-bridged Mn(II)-Ni(II) complex and an Co(III)-Ni(II) ion-pair complex with [Ni(CN){sub 4}]{sup 2-} as building block and M(II)-phenanthroline (M = Mn, Co) compounds as assembling segment. The different structural types of complexes 1 and 2 indicate that the property of the metal ions the assembling segment contained have obvious influence on the structure of the cyanide-bridged complex. Investigation over the magnetic properties of complex 1 reveals an overall weak antiferromagnetic coupling between the adjacent Mn(II) ions bridged by the antiferromagnetic [-NC-Ni-CN-] unit. Among of all the molecular magnetism systems, for the well known reasons, cyanide-containing complexes have been widely employed as bridges to assemble homo/hetero-metallic molecular magnetic materials by using the cyanide bridge transferring magnetic coupling between the neighboring paramagnetic ions, in whichsome showed interesting magnetic properties, such as high-Tc magnets, spin crossover materials, single-molecule magnets (SMMs) and single-chain magnets (SCMs)

  19. 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

  20. Novel short-chain analogues of somatostatin as ligands for Cu(II) ions. Role of the metal ion binding on the spatial structure of the ligand.

    Science.gov (United States)

    Marciniak, Aleksandra; Cebrat, Marek; Czyżnikowska, Żaneta; Brasuń, Justyna

    2012-12-01

    In this paper we present the studies on coordination abilities of two short-chain analogues of somatostatin with free N-terminal and protected amino group towards copper (II) ions. The octreotide is the most popular analogue of the somatostatin (peptide hormone) used in medicine. Somatostatin analogues are used in diagnosis and treatment of the neuroendocrine tumors. Both analyzed analogues are characterized by the presence of two His instead of Cys residues in characteristic fragment of native peptide. We characterize coordination abilities of the ligands using potentiometric and spectroscopic methods. His-analogues of somatostatin are effective ligands for copper (II) ions. Both peptides are able to form the complexes with the cyclic structure. Copyright © 2012 Elsevier Inc. All rights reserved.

  1. Binding mechanism and electrochemical properties of M13 phage-sulfur composite.

    Science.gov (United States)

    Dong, Dexian; Zhang, Yongguang; Sutaria, Sanjana; Konarov, Aishuak; Chen, Pu

    2013-01-01

    Self-assembly of nanostructured materials has been proven a powerful technique in material design and synthesis. By phage display screening, M13 phage was found to strongly bind sulfur particles. Fourier transform infrared and X-ray photoelectron spectroscopy measurements indicated that the strong sulfur-binding ability of M13 phage derives from newly generated S-O and C-S bonds. Using this phage assembled sulfur composite in a lithium battery, the first discharge capacity reached 1117 mAh g(-1), which is more than twice that of the sulfur only cathode. Besides, the negative polysulfide shuttle effect in a lithium-sulfur battery was significantly suppressed.

  2. Dissociation kinetics of excited ions: PEPICO measurements of Os3(CO)12 — The 7-35 eV single ionization binding energy region

    Science.gov (United States)

    Schalk, Oliver; Josefsson, Ida; Geng, Ting; Richter, Robert; Sa'adeh, Hanan; Thomas, Richard D.; Mucke, Melanie

    2018-02-01

    In this article, we study the photoinduced dissociation pathways of a metallocarbonyl, Os3(CO)12, in particular the consecutive loss of CO groups. To do so, we performed photoelectron-photoion coincidence (PEPICO) measurements in the single ionization binding energy region from 7 to 35 eV using 45-eV photons. Zero-energy ion appearance energies for the dissociation steps were extracted by modeling the PEPICO data using the statistical adiabatic channel model. Upon ionization to the excited ionic states above 13 eV binding energy, non-statistical behavior was observed and assigned to prompt CO loss. Double ionization was found to be dominated by the knockout process with an onset of 20.9 ± 0.4 eV. The oscillator strength is significantly larger for energies above 26.6 ± 0.4 eV, corresponding to one electron being ejected from the Os3 center and one from the CO ligands. The cross section for double ionization was found to increase linearly up to 35 eV ionization energy, at which 40% of the generated ions are doubly charged.

  3. Inhibition by divalent metal ions of human histidine triad nucleotide binding protein1 (hHint1), a regulator of opioid analgesia and neuropathic pain.

    Science.gov (United States)

    Shah, Rachit; Chou, Tsui-Fen; Maize, Kimberly M; Strom, Alexander; Finzel, Barry C; Wagner, Carston R

    2017-09-23

    Human histidine triad nucleotide binding protein 1 (hHint1) is a purine nucleoside phosphoramidase and adenylate hydrolase that has emerged as a potential therapeutic target for the management of pain. However, the molecular mechanism of Hint1 in the signaling pathway has remained less clear. The role of metal ions in regulating postsynaptic transmission is well known, and the active site of hHint1 contains multiple histidines. Here we have investigated the effect of divalent metal ions (Cd 2+ , Cu 2+ , Mg 2+ , Mn 2+ , Ni 2+ , and Zn 2+ ) on the structural integrity and catalytic activity of hHint1. With the exception of Mg 2+ , all the divalent ions inhibited hHint1, the rank of order was found to be Cu 2+ >Zn 2+ >Cd 2+ ≥Ni 2+ >Mn 2+ based on their IC 50 and k in /K I values. A crystal structure of hHint1 with bound Cu 2+ is described to explain the competitive reversible inactivation of hHint1 by divalent cations. All the metal ions exhibited time- and concentration- dependent inhibition, with the rate of inactivation highly dependent on alterations of the C-terminus. With the exception of Cu 2+ ; restoration of inhibition was observed for all the metal ions after treatment with EDTA. Our studies reveal a loss in secondary structure and aggregation of hHint1 upon incubation with 10-fold excess of copper. Thus, hHint1 appears to be structurally sensitive to irreversible inactivation by copper, which may be of neurotoxicological and pharmacological significance. Copyright © 2017 Elsevier Inc. All rights reserved.

  4. Thermodynamic properties of heavy ion heated refractory metals; Thermodynamische Eigenschaften von schwerionengeheizten hochschmelzenden Metallen

    Energy Technology Data Exchange (ETDEWEB)

    Hug, Alexander

    2011-05-04

    Knowledge of basic physical properties of matter in high-energy-density (HED) states such as the equation-of-state (EOS) is of fundamental importance for various branches of basic and applied physics. However, such matter under extreme conditions of temperature and pressure - also called ''warm dense matter'' (WDM) - can only be generated in dynamic experiments employing the most powerful drivers. At the high temperature experimental area HHT of the GSI Helmholtzzentrum fuer Schwerionenforschung (Darmstadt, Germany), intense beams of energetic heavy ions are used for this purpose. The aim of this work is to study thermophysical properties of refractory metals in hot solid and liquid states by precise temperature measurements. In order to identify the melting plateau and to limit the maximum target temperature to the region of interest, relatively long (one microsecond) bunches of uranium and xenon ions have been used to heat initially solid samples. The intense ion beams were focused on a millimetre spot at the target in order to achieve uniform conditions. The temperature on the target surface was determined by analysing thermal radiation emitted from a 0.03 mm{sup 2} area at five different wavelengths. In order to obtain the physical temperature, one has to measure not only the thermal radiation but also the emissivity, ε(T,λ) of the target surface which is not known ab initio. For this purpose, a set-up for direct target reflection measurement was designed and embedded into the fast multichannel pyrometer system. The reflection signal provides the necessary information about modifications of the target surface properties during the interaction with the ion beam. Beside the pyrometric and reflection measurement set-ups, various hardware and software components of the data acquisition system for the heavy-ion beam driven experiments were substantially enhanced. The emissivity was also obtained by identifying the melting plateau and using the

  5. Properties of the binding sites for the sn-1 and sn-2 acyl chains on the phosphatidylinositol transfer protein from bovine brain

    NARCIS (Netherlands)

    van Paridon, P.A.; Gadella, Th.W.J.; Somerharju, P.J.; Wirtz, K.W.A.

    1988-01-01

    We have studied the properties of the fatty acyl binding sites of the phosphatidylinositol transfer protein (PI-TP) from bovine brain, by measuring the binding and transfer of pyrenylacyl-containing phosphatidylinositol (PyrPI) species and pyrenylacyl-containing phosphatidylcholine (PyrPC) species

  6. 2,6,10-Tris(dialkylamino)trioxatriangulenium ions. Synthesis, structure, and properties of exceptionally stable carbenium ions

    DEFF Research Database (Denmark)

    Laursen, B.W.; Krebs, Frederik C; Nielsen, M.F.

    1998-01-01

    A general synthetic route to a novel type of triamino-substituted planar carbenium ions (5) is reported. The synthetic method is based on a facile and selective nucleophilic aromatic substitution on the 4,6-trimethoxyphenyl)carbenium ion (1) with amines and gives access to a wide variety of more...... complex amino-substituted carbenium ions. X-ray crystallography shows that the cis(N-pyrrolidinyl)-4,8,12-trioxatriangulenium ion (5b) is planar and forms segregated stacks of cations and PF6 anions in the solid phase. The stability of the 2,6, 0-tris(diethylamino)- 4,8,12-trioxatriangulenium ion 5a...... is expressed as the pK(R+) value, which is determined in strongly basic nonaqueous solution on-the basis of a new acidity function C-. The pK(R+) value of 5a is measured to be 19.7, which is 10 orders of magnitude higher than the values found for the most stable carbenium ions previously reported...

  7. Proton binding properties of humic substances originating from natural and contaminated materials

    NARCIS (Netherlands)

    Zomeren, van A.; Costa, A.; Pinheiro, J.P.; Comans, R.N.J.

    2009-01-01

    Humic substances (HS) are ubiquitous organic constituents in soil and water and can strongly adsorb metal contaminants in natural and waste environments. Therefore, understanding and modeling contaminant-HS interactions is a key issue in environmental risk assessment. Current binding models for HS,

  8. Effect of van der Waals interactions on the structural and binding properties of GaSe

    Energy Technology Data Exchange (ETDEWEB)

    Sarkisov, Sergey Y., E-mail: sarkisov@mail.tsu.ru [Tomsk State University, Lenin Avenue 36, 634050 Tomsk (Russian Federation); Kosobutsky, Alexey V., E-mail: kosobutsky@kemsu.ru [Tomsk State University, Lenin Avenue 36, 634050 Tomsk (Russian Federation); Kemerovo State University, Krasnaya 6, 650043 Kemerovo (Russian Federation); Shandakov, Sergey D. [Kemerovo State University, Krasnaya 6, 650043 Kemerovo (Russian Federation)

    2015-12-15

    The influence of van der Waals interactions on the lattice parameters, band structure, elastic moduli and binding energy of layered GaSe compound has been studied using projector-augmented wave method within density functional theory. We employed the conventional local/semilocal exchange-correlation functionals and recently developed van der Waals functionals which are able to describe dispersion forces. It is found that application of van der Waals density functionals allows to substantially increase the accuracy of calculations of the lattice constants a and c and interlayer distance in GaSe at ambient conditions and under hydrostatic pressure. The pressure dependences of the a-parameter, Ga–Ga, Ga–Se bond lengths and Ga–Ga–Se bond angle are characterized by a relatively low curvature, while c(p) has a distinct downward bowing due to nonlinear shrinking of the interlayer spacing. From the calculated binding energy curves we deduce the interlayer binding energy of GaSe, which is found to be in the range 0.172–0.197 eV/layer (14.2–16.2 meV/Å{sup 2}). - Highlights: • Effects of van der Waals interactions are analyzed using advanced density functionals. • Calculations with vdW-corrected functionals closely agree with experiment. • Interlayer binding energy of GaSe is estimated to be 14.2–16.2 meV/Å{sup 2}.

  9. Different characteristics and nucleotide binding properties of inosine monophosphate dehydrogenase (IMPDH isoforms.

    Directory of Open Access Journals (Sweden)

    Elaine C Thomas

    Full Text Available We recently reported that Inosine Monophosphate Dehydrogenase (IMPDH, a rate-limiting enzyme in de novo guanine nucleotide biosynthesis, clustered into macrostructures in response to decreased nucleotide levels and that there were differences between the IMPDH isoforms, IMPDH1 and IMPDH2. We hypothesised that the Bateman domains, which are present in both isoforms and serve as energy-sensing/allosteric modules in unrelated proteins, would contribute to isoform-specific differences and that mutations situated in and around this domain in IMPDH1 which give rise to retinitis pigmentosa (RP would compromise regulation. We employed immuno-electron microscopy to investigate the ultrastructure of IMPDH macrostructures and live-cell imaging to follow clustering of an IMPDH2-GFP chimera in real-time. Using a series of IMPDH1/IMPDH2 chimera we demonstrated that the propensity to cluster was conferred by the N-terminal 244 amino acids, which includes the Bateman domain. A protease protection assay suggested isoform-specific purine nucleotide binding characteristics, with ATP protecting IMPDH1 and AMP protecting IMPDH2, via a mechanism involving conformational changes upon nucleotide binding to the Bateman domain without affecting IMPDH catalytic activity. ATP binding to IMPDH1 was confirmed in a nucleotide binding assay. The RP-causing mutation, R224P, abolished ATP binding and nucleotide protection and this correlated with an altered propensity to cluster. Collectively these data demonstrate that (i the isoforms are differentially regulated by AMP and ATP by a mechanism involving the Bateman domain, (ii communication occurs between the Bateman and catalytic domains and (iii the RP-causing mutations compromise such regulation. These findings support the idea that the IMPDH isoforms are subject to distinct regulation and that regulatory defects contribute to human disease.

  10. Optical properties of 3d transition metal ion-doped sodium borosilicate glass

    International Nuclear Information System (INIS)

    Wen, Hongli; Tanner, Peter A.

    2015-01-01

    Graphical abstract: Photographs of undoped (SiO 2 ) 50 (Na 2 O) 25 (B 2 O 3 ) 25 (SiNaB) glass and transition metal ion-doped (TM) 0.5 (SiO 2 ) 49.5 (Na 2 O) 25 (B 2 O 3 ) 25 glass samples. - Highlights: • 3d transition metal ion (from Ti to Zn) doped SiO 2 -Na 2 O-B 2 O 3 glasses. • Optical properties of doped glasses investigated. • V(IV,V); Cr(III, VI); Mn(II,III); Fe(II,III); Co(II); Ni(II); Cu(II) by XANES, DRS. • Strong visible absorption but only vanadium ion gives strong emission in glass. - Abstract: SiO 2 -Na 2 O-B 2 O 3 glasses doped with 3d-transition metal species from Ti to Zn were prepared by the melting-quenching technique and their optical properties were investigated. The X-ray absorption near edge spectra of V, Cr, and Mn-doped glasses indicate that the oxidation states of V(IV, V), Cr(III, VI) and Mn(II, III) exist in the studied glasses. The oxidation states revealed from the diffuse reflectance spectra of the glasses are V(IV, V), Cr(III, VI), Mn(III), Fe(II, III), Co(II), Ni(II), and Cu(II). Most of the 3d transition element ions exhibit strong absorption in the visible spectral region in the glass. Under ultraviolet excitation, the undoped sodium borosilicate glass produces weak and broad emission, while doping of vanadium introduces strong and broad emission due to the V(V) charge transfer transition. Only weak emission is observed from Ti(IV), Mn(II), Fe(III) and Cu(II), partly resulting from the strong electron–phonon coupling of the 3d-electrons and the relatively high phonon energy of the studied glass host, with the former leading to dominant nonradiative relaxation based on multiphonon processes for most of the 3d excited states

  11. Simple and cooperative electrostatic binding of amonium ions to phosphate-polyions: NMR, infrared and theoretical study

    Czech Academy of Sciences Publication Activity Database

    Kříž, Jaroslav; Dybal, Jiří

    2004-01-01

    Roč. 108, č. 26 (2004), s. 9306-9314 ISSN 1520-6106 R&D Projects: GA AV ČR KSK4050111 Institutional research plan: CEZ:AV0Z4050913 Keywords : cooperative interactions * electrostatic binding * hydrophobic interactions Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.834, year: 2004

  12. Influence of 400 keV carbon ion implantation on structural, optical and electrical properties of PMMA

    Energy Technology Data Exchange (ETDEWEB)

    Arif, Shafaq, E-mail: sarif2005@gmail.com [Department of Physics, Lahore College for Women University, Lahore 54000 (Pakistan); Rafique, M. Shahid [Department of Physics, University of Engineering & Technology, Lahore 54000 (Pakistan); Saleemi, Farhat; Sagheer, Riffat [Department of Physics, Lahore College for Women University, Lahore 54000 (Pakistan); Naab, Fabian; Toader, Ovidiu [Department of Nuclear Engineering and Radiological Sciences, Michigan Ion Beam Laboratory, University of Michigan, MI 48109-2104 (United States); Mahmood, Arshad; Rashid, Rashad [National Institute of Lasers and Optronics (NILOP), P.O. Nilore, Islamabad (Pakistan); Mahmood, Mazhar [Department of Metallurgy & Materials Engineering, Pakistan Institute of Engineering & Applied Sciences (PIEAS), Islamabad (Pakistan)

    2015-09-01

    Ion implantation is a useful technique to modify surface properties of polymers without altering their bulk properties. The objective of this work is to explore the 400 keV C{sup +} ion implantation effects on PMMA at different fluences ranging from 5 × 10{sup 13} to 5 × 10{sup 15} ions/cm{sup 2}. The surface topographical examination of irradiated samples has been performed using Atomic Force Microscope (AFM). The structural and chemical modifications in implanted PMMA are examined by Raman and Fourier Infrared Spectroscopy (FTIR) respectively. The effects of carbon ion implantation on optical properties of PMMA are investigated by UV–Visible spectroscopy. The modifications in electrical conductivity have been measured using a four point probe technique. AFM images reveal a decrease in surface roughness of PMMA with an increase in ion fluence from 5 × 10{sup 14} to 5 × 10{sup 15} ions/cm{sup 2}. The existence of amorphization and sp{sup 2}-carbon clusterization has been confirmed by Raman and FTIR spectroscopic analysis. The UV–Visible data shows a prominent red shift in absorption edge as a function of ion fluence. This shift displays a continuous reduction in optical band gap (from 3.13 to 0.66 eV) due to formation of carbon clusters. Moreover, size of carbon clusters and photoconductivity are found to increase with increasing ion fluence. The ion-induced carbonaceous clusters are believed to be responsible for an increase in electrical conductivity of PMMA from (2.14 ± 0.06) × 10{sup −10} (Ω-cm){sup −1} (pristine) to (0.32 ± 0.01) × 10{sup −5} (Ω-cm){sup −1} (irradiated sample)

  13. TH-A-19A-05: Modeling Physics Properties and Biologic Effects Induced by Proton and Helium Ions

    Energy Technology Data Exchange (ETDEWEB)

    Taleei, R; Titt, U; Peeler, C; Guan, F; Mirkovic, D; Grosshans, D; Mohan, R [UT MD Anderson Cancer Center, Houston, TX (United States)

    2014-06-15

    Purpose: Currently, proton and carbon ions are used for cancer treatment. More recently, other light ions including helium ions have shown interesting physical and biological properties. The purpose of this work is to study the biological and physical properties of helium ions (He-3) in comparison to protons. Methods: Monte Carlo simulations with FLUKA, GEANT4 and MCNPX were used to calculate proton and He-3 dose distributions in water phantoms. The energy spectra of proton and He-3 beams were calculated with high resolution for use in biological models. The repair-misrepairfixation (RMF) model was subsequently used to calculate the RBE. Results: The proton Bragg curve calculations show good agreement between the three general purpose Monte Carlo codes. In contrast, the He-3 Bragg curve calculations show disagreement (for the magnitude of the Bragg peak) between FLUKA and the other two Monte Carlo codes. The differences in the magnitude of the Bragg peak are mainly due to the discrepancy in the secondary fragmentation cross sections used by the codes. The RBE for V79 cell lines is about 0.96 and 0.98 at the entrance of proton and He-3 ions depth dose respectively. The RBE increases to 1.06 and 1.59 at the Bragg peak of proton and He-3 ions. The results demonstrated that LET, microdosimetric parameters (such as dose-mean lineal energy) and RBE are nearly constant along the plateau region of Bragg curve, while all parameters increase within the Bragg peak and at the distal edge for both proton and He-3 ions. Conclusion: The Monte Carlo codes should revise the fragmentation cross sections to more accurately simulate the physical properties of He-3 ions. The increase in RBE for He-3 ions is higher than for proton beams at the Bragg peak.

  14. 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+.

  15. Structural and luminescence properties of Mn{sup 2+} ions doped calcium zinc borophosphate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Wan, Ming Hua, E-mail: wanminghua819@gmail.com [Phosphor Research Group, Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Wong, Poh Sum, E-mail: pohsumwong@gmail.com [Phosphor Research Group, Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Hussin, Rosli, E-mail: roslihussin@utm.my [Phosphor Research Group, Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Lintang, Hendrik O., E-mail: hendrik@ibnusina.utm.my [Catalytic Science and Technology (CST) Research Group, Ibnu Sina Institute for Fundamental Science Studies, Universiti Teknologi Malaysia, Skudai 81310, Johor (Malaysia); Endud, Salasiah, E-mail: salasiah@kimia.fs.utm.my [Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM Johor Bahru, Johor (Malaysia)

    2014-05-15

    Highlights: • FT-IR revealed that the network structures are from borate and phosphate network. • The PL spectrum exhibits a green emission band at 582 nm ({sup 4}T{sub 1g} → {sup 6}A{sub 1g}). • As the concentration of Mn{sup 2+} ions is increased, the emission band had been red shifted. • These glasses are found to have potential applications as luminescent optical materials. - Abstract: Calcium zinc borophosphate glasses (CaZnBP) doped with various concentrations of Mn{sup 2+} ions and borate and phosphate as variable were prepared using conventional melt quenching technique. The structure of obtained glasses were examined by means of use: X-ray diffraction (XRD) and fourier transform infrared (FT-IR). XRD analysis confirmed amorphous nature of glass samples. The FT-IR spectra reveals the presence of both borate and phosphate vibrational modes in the prepared glasses. The doping of Mn{sup 2+} ions (2–10 mol%) shows no significant changes in the main IR vibrational bands. Optical properties were studied by measuring the near infrared photoluminescence (PL) spectra. CaZnBP glasses exhibited intense green emission peak (582 nm) (tetrahedral symmetry), which is assigned to a transition from the upper {sup 4}T{sub 1g} → {sup 6}A{sub 1g} ground state of Mn{sup 2+} ions. As the concentration of Mn{sup 2+} ions increases, the emission band increases from 582 nm to 650 nm and exhibited a red light emission (octahedral symmetry). The decay curves of {sup 4}T{sub 1g} level were examined for all concentrations and the measured lifetimes are found to depend strongly on Mn{sup 2+} concentrations. From the emission characteristic parameters of {sup 6}A{sub 1g} (S) level, it shows that the CaZnBP glasses could have potential applications as luminescent optical materials, visible lasers and fluorescent display devices.

  16. Comparison of optical properties of Eu3+ ions in the silica gel glasses obtained by different preparation techniques

    International Nuclear Information System (INIS)

    Legendziewicz, J.; Sokolnicki, J.; Keller, B.; Borzechowska, M.; Strek, W.

    1996-01-01

    Silica-gel glasses doped with Eu 3+ ions were obtained by different preparation techniques. The absorption, emission and excitation spectra of the obtained glasses were measured in the range of 77-300 K. The energy levels diagrams of Eu 3+ ions were derived. An intensity analysis of f-f transitions was performed. In particular, polymeric structure behaviour of europium compounds entrapped in silica gel glasses was temperature controlled during the preparation of glasses. Their optical properties were investigated. (author)

  17. Spectroscopic capture and reactivity of a low-spin cobalt(IV)-oxo complex stabilized by binding redox-inactive metal ions.

    Science.gov (United States)

    Hong, Seungwoo; Pfaff, Florian Felix; Kwon, Eunji; Wang, Yong; Seo, Mi-Sook; Bill, Eckhard; Ray, Kallol; Nam, Wonwoo

    2014-09-22

    High-valent cobalt-oxo intermediates are proposed as reactive intermediates in a number of cobalt-complex-mediated oxidation reactions. Herein we report the spectroscopic capture of low-spin (S=1/2) Co(IV)-oxo species in the presence of redox-inactive metal ions, such as Sc(3+), Ce(3+), Y(3+), and Zn(2+), and the investigation of their reactivity in C-H bond activation and sulfoxidation reactions. Theoretical calculations predict that the binding of Lewis acidic metal ions to the cobalt-oxo core increases the electrophilicity of the oxygen atom, resulting in the redox tautomerism of a highly unstable [(TAML)Co(III)(O˙)](2-) species to a more stable [(TAML)Co(IV)(O)(M(n+))] core. The present report supports the proposed role of the redox-inactive metal ions in facilitating the formation of high-valent metal-oxo cores as a necessary step for oxygen evolution in chemistry and biology. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. [11C]Harmine Binding to Brain Monoamine Oxidase A: Test-Retest Properties and Noninvasive Quantification.

    Science.gov (United States)

    Zanderigo, Francesca; D'Agostino, Alexandra E; Joshi, Nandita; Schain, Martin; Kumar, Dileep; Parsey, Ramin V; DeLorenzo, Christine; Mann, J John

    2018-02-08

    Inhibition of the isoform A of monoamine oxidase (MAO-A), a mitochondrial enzyme catalyzing deamination of monoamine neurotransmitters, is useful in treatment of depression and anxiety disorders. [ 11 C]harmine, a MAO-A PET radioligand, has been used to study mood disorders and antidepressant treatment. However, [ 11 C]harmine binding test-retest characteristics have to date only been partially investigated. Furthermore, since MAO-A is ubiquitously expressed, no reference region is available, thus requiring arterial blood sampling during PET scanning. Here, we investigate [ 11 C]harmine binding measurements test-retest properties; assess effects of using a minimally invasive input function estimation on binding quantification and repeatability; and explore binding potentials estimation using a reference region-free approach. Quantification of [ 11 C]harmine distribution volume (V T ) via kinetic models and graphical analyses was compared based on absolute test-retest percent difference (TRPD), intraclass correlation coefficient (ICC), and identifiability. The optimal procedure was also used with a simultaneously estimated input function in place of the measured curve. Lastly, an approach for binding potentials quantification in absence of a reference region was evaluated. [ 11 C]harmine V T estimates quantified using arterial blood and kinetic modeling showed average absolute TRPD values of 7.7 to 15.6 %, and ICC values between 0.56 and 0.86, across brain regions. Using simultaneous estimation (SIME) of input function resulted in V T estimates close to those obtained using arterial input function (r = 0.951, slope = 1.073, intercept = - 1.037), with numerically but not statistically higher test-retest difference (range 16.6 to 22.0 %), but with overall poor ICC values, between 0.30 and 0.57. Prospective studies using [ 11 C]harmine are possible given its test-retest repeatability when binding is quantified using arterial blood. Results with SIME of

  19. Ion sensing method

    Science.gov (United States)

    Smith, Richard Harding; Martin, Glenn Brian

    2004-05-18

    The present invention allows the determination of trace levels of ionic substances in a sample solution (ions, metal ions, and other electrically charged molecules) by coupling a separation method, such as liquid chromatography, with ion selective electrodes (ISE) prepared so as to allow detection at activities below 10.sup.-6 M. The separation method distributes constituent molecules into fractions due to unique chemical and physical properties, such as charge, hydrophobicity, specific binding interactions, or movement in an electrical field. The separated fractions are detected by means of the ISE(s). These ISEs can be used singly or in an array. Accordingly, modifications in the ISEs are used to permit detection of low activities, specifically, below 10.sup.-6 M, by using low activities of the primary analyte (the molecular species which is specifically detected) in the inner filling solution of the ISE. Arrays constructed in various ways allow flow-through sensing for multiple ions.

  20. Synthesis and characterization of polymer electrolyte membranes with controlled ion transport properties

    Science.gov (United States)

    Xu, Kui

    2011-12-01

    Ion-containing block copolymers hold promise as next-generation polymer electrolyte membrane (PEM) materials due to their capability to self-assemble into ordered nanostructures facilitating proton transport over a wide range of conditions. Ion-containing block copolymers, sulfonated poly(styrene- b-vinylidene fluoride-b-styrene), with varied degrees of sulfonation were synthesized. The synthetic strategy involved a new approach to chain-end functionalized poly(vinylidene fluoride) as a macro-initiator followed by atom transfer polymerization of styrene and sulfonation. Characterization of the polymers were extensively carried out by 1H and 19F nuclear magnetic resonance and Fouriertransform infrared spectroscopy, differential scanning calorimetry, and thermogravimetry analysis. Tapping mode atomic force microscopy and transmission electron microscopy were applied to study the phase separation and self-assembled morphology. Strong dependence of ion exchange capacity, water absorption, morphology and proton conductivity on the degree of sulfonation has been found. It has been observed that the conductivities of the block copolymers are considerably higher than the random copolymers of polystyrene and sulfonated polystyrene possessing similar ion exchange capacities. Copolymers of vinylidene fluoride and perfluoro(4-methyl-3,6-dioxane-7-ene) sulfonyl fluoride containing amino end-groups were synthesized for the first time. The prepared aminoterminated polymers underwent cross-linking reactions with 1,3,5-benzene triisocyanate to form proton conductive networks. The chain-end crosslinked fluoropolymer membranes exhibited excellent thermal, hydrolytic and oxidative stabilities. The ion exchange capacity, water uptake, the state of absorbed water, and transport properties of the membranes were found to be highly dependent upon the chemical composition of the copolymers. The cross-linked membranes showed extremely low methanol permeability, while maintaining high proton

  1. Comparison of comprehensive properties of Ni-MH (nickel-metal hydride) and Li-ion (lithium-ion) batteries in terms of energy efficiency

    International Nuclear Information System (INIS)

    Kang, Jianqiang; Yan, Fuwu; Zhang, Pei; Du, Changqing

    2014-01-01

    In this work, we successfully proposed a method to compare the comprehensive properties of different battery systems in terms of a parameter, energy efficiency. The quantitative relationship of OCV (open circuit voltage) and SOC (state of charge) for Ni-MH batteries is firstly established to calculate the energy efficiency. Then a comprehensive comparison of the energy efficiency for Ni-MH and Li-ion batteries is systemically analyzed under different operating conditions. The results suggest that the energy efficiency is larger for Li-ion batteries than for Ni-MH batteries under charge and charge–discharge cycles, but lesser under a large current rate discharge. The outcome indicates that Ni-MH batteries are more favorable in the case of large current rates discharge than Li-ion batteries. Under plus current rates, two factors, SOC and current rates are analyzed with respect to energy efficiency. For both the batteries, the energy efficiency is varied slightly with SOC, but declines greatly with increased current rates. - Highlights: • A method to compare the comprehensive property for different battery systems. • The relationship of OCV and SOC for Ni-MH batteries established. • An analysis of energy efficiency for Ni-MH and Li-ion batteries. • Ni-MH batteries are more favorable under large current rates discharge

  2. Fluorescent and ultraviolet-visible spectroscopy studies on the antioxidation and DNA binding properties of binuclear Tb(III) complexes.

    Science.gov (United States)

    Liu, Yongchun; Jiang, Xinhui; Yang, Zhengyin; Zheng, Xudong; Liu, Jianning; Zhou, Tianlin

    2010-09-01

    Tb(III) complexes were prepared from Tb(NO(3))(3)·6H(2)O and four Schiff-base ligands derived from 8-hydroxyquinoline-2-carboxaldehyde with aroylhydrazines. X-ray crystal and other structural analyses indicate that Tb(III) and every ligand can form a binuclear Tb(III) complex with 1:1 metal-to-ligand stoichiometry and nine-coordination at the Tb(III) center. Viscosity titration experiments and fluorescent and ultraviolet-visible (UV-Vis) spectroscopy results indicate that all the Tb(III) complexes can bind to Calf thymus DNA through intercalation with the binding constants at the order of magnitude of 10(6)-10(7) M(-1), and they may be used as potential anticancer drugs, but complexes containing active phenolic hydroxy groups may have stronger antitumor activities. Antioxidation results indicate that all the Tb(III) complexes have strong abilities of scavenging hydroxyl radicals and superoxide radicals, but complexes containing active phenolic hydroxy groups show stronger scavenging effects on hydroxyl radicals and complexes containing N-heteroaromatic substituent show stronger scavenging effects on superoxide radicals. However, Tb(III) emission with these systems is not observed, for these ligands rather are quenchers and unable to sensitize this metal ion.

  3. Nanohardness, friction and wear properties of nitrogen ion implanted Ti-6Al-4V alloy

    International Nuclear Information System (INIS)

    Nath, V.C.; Sood, D.K.; Manory, R.R.

    1991-01-01

    Over the last few years a large amount of evidence has appeared in literature covering the effect of ion implantation on the wear behaviour of Ti-6A1-4V alloy, a material widely used in medical and aerospace applications. Recent studies have shown improved hardness and wear properties of this alloy in as-implanted condition only, and any post-implantation annealing treatment causes a reversal of this effect. In this paper the influence of higher energy and high dose nitrogen ion implantation followed by post-implantation annealing on the microhardness, friction and wear behaviour of polycrystalline Ti-6A1-4V alloy is demonstrated. Polycrystalline Ti-6A1-4V alloy samples were implanted with 150 kev N + ions, and the hardness, friction and wear behaviour was investigated before and after annealing at 705 deg C for 2 hours. The hardness was measured by an ultramicrohardness indentation system and wear and friction were evaluated by sliding 1.6 mm ruby ball against the discs. The results shows that the hardness increased by 150 % in as-implanted and 200 % in annealed sample, the coefficient of friction is reduced from 0.29 in virgin sample to 0.11 in as-implanted to 0.08 in annealed sample. Wear rate was reduced by 50 % in as-implanted and 67 % in annealed sample, while post-implantation annealing caused the formation of TiN phase at sub-surface of the sample. 4 refs., 3 figs

  4. Effect of cathodic hydrogenation on the mechanical properties of AISI 304 stainless steel nitrided by ion implantation, glow discharge and plasma immersion ion implantation

    Science.gov (United States)

    Foerster, C. E.; Souza, J. F. P.; Silva, C. A.; Ueda, M.; Kuromoto, N. K.; Serbena, F. C.; Silva, S. L. R.; Lepienski, C. M.

    2007-04-01

    Hydrogen embrittlement in austenitic stainless steels is restricted to the surface due to the low hydrogen diffusion in austenitic structures. The effect of three different nitriding processes: ion implantation (II), plasma immersion ion implantation (PI3) and glow discharge (GD), on the mechanical and structural properties of cathodically hydrogenated AISI 304 stainless steel were studied in the present work. Cathodic hydrogenation was made on untreated and nitrided samples. Surface microstructure after nitriding and hydrogenation was investigated by X-ray diffraction. Mechanical properties were measured by instrumented indentation. Surface crack formation and hardness decrease was observed in non-nitrided samples after cathodic hydrogenation. Hardness of nitrided samples decreases after hydrogen degassing but still has values higher than untreated samples. Comparative analysis of nitriding processes and working conditions indicated that glow discharge plasma nitriding process at 400 °C or 450 °C is the most adequate to avoid crack formation in steel surface after cathodic hydrogenation.

  5. Iron-binding and anti-Fenton properties of baicalein and baicalin

    OpenAIRE

    Perez, Carlos A.; Wei, Yibin; Guo, Maolin

    2008-01-01

    Baicalein and baicalin, the major bioactive compounds found in the Chinese herb Scutellaria baicalensis, have been shown to be effective against cancer, bacterial infections and oxidative stress diseases. However, little is known about their mechanisms of action. To probe whether iron homeostasis modulation may play a role in their bioactivity, we have investigated their iron binding characteristics under physiologically relevant conditions. A 2:1 baicalein-ferrous complex was readily formed ...

  6. Analysis of tumour suppressor p53 protein binding properties by new ELISA technique

    Czech Academy of Sciences Publication Activity Database

    Brázda, Václav; Jagelská, Eva; Pečinka, Petr; Karlovská, Lenka; Paleček, Emil

    2003-01-01

    Roč. 2, č. 9 (2003), s. 965 ISSN 1535-9484. [HUPO Annual /2./ and IUBMB World Congress /19./. 08.10.2003-11.10.2003, Montreal] R&D Projects: GA ČR GA301/00/D001; GA AV ČR IAB5004203 Institutional research plan: CEZ:AV0Z5004920 Keywords : p53 * ELISA * DNA binding Subject RIV: BO - Biophysics

  7. Compressive ion acoustic double layer and its transitional properties for a two electron temperature warm, multi-ion plasma

    Science.gov (United States)

    Steffy, S. V.; Ghosh, S. S.

    2018-01-01

    The emergence of the compressive ion acoustic double layer has been investigated for a two electron temperature warm, multi-ion plasma by the Sagdeev pseudopotential technique. It shows that the ambient cooler electron concentration plays a deterministic role in initiating the transition process of a compressive ion acoustic solitary wave to its double layer. Incorporating the derivative analysis for the pseudopotential, the transitional phase was further quantified by assigning a critical value for the ambient cooler electron concentration. It has been observed that, beyond that critical value, the width of the solitary wave increases rapidly with the increasing amplitude which coincides with the aforementioned transitional phase, manifesting a change in the internal microphysics of the structure for that region. A comparison with the satellite observation revealed good agreement validating the present model. The model will be useful in interpreting the observed monopolar structures in the auroral acceleration region.

  8. Space and time dependent properties of the virtual cathode in a reflex-type pulsed ion diode

    International Nuclear Information System (INIS)

    Matsumoto, Yoshio; Kitamura, Akira; Yano, Syukuro

    1981-01-01

    Properties of a virtual cathode in a pulsed ion diode composed of and insulator-mesh anode and a metal-mesh cathode were studied experimentally at anode voltages below 35o kV. Potential distribution in the virtual cathode side was measured with an insulated electrostatic potential probe, and ion beam currents in virtual and real cathode sides were measured with biased ion collectors. Experimental results are given for the space and time behaviors of the anode plasma and the virtual cathode which starts to grow first from a region near a periphery of the metal anode frame and extends over the central region near the anode surface. A loss parameter for the electron current accompanied with the ion beam at the virtual cathode was evaluated from the measured electron current values by using relations derived from the one-dimensional Child-Langmuir theory applied to the reflex triode. The ion beam accompanies a considerable amount of electron current, and this influences the stability of the virtual cathode; this perturbation results in variations of ion current with time. Experimental results for space potentials in the emitted ion beam and the total current flowing in the space of the virtual cathode side are also given, suggesting an existence of high energy electrons of several keV accelerated by positive space potential of the ion beam. (author)

  9. Quantifying the binding strength of salicylaldoxime-uranyl complexes relative to competing salicylaldoxime-transition metal ion complexes in aqueous solution: a combined experimental and computational study.

    Science.gov (United States)

    Mehio, Nada; Ivanov, Alexander S; Williams, Neil J; Mayes, Richard T; Bryantsev, Vyacheslav S; Hancock, Robert D; Dai, Sheng

    2016-05-31

    The design of new ligands and investigation of UO2(2+) complexations are an essential aspect of reducing the cost of extracting uranium from seawater, improving the sorption efficiency for uranium and the selectivity for uranium over competing ions (such as the transition metal cations). The binding strengths of salicylaldoxime-UO2(2+) complexes were quantified for the first time and compared with the binding strengths of salicylic acid-UO2(2+) and representative amidoxime-UO2(2+) complexes. We found that the binding strengths of salicylaldoxime-UO2(2+) complexes are ∼2-4 log β2 units greater in magnitude than their corresponding salicylic acid-UO2(2+) and representative amidoxime-UO2(2+) complexes; moreover, the selectivity of salicylaldoxime towards the UO2(2+) cation over competing Cu(2+) and Fe(3+) cations is far greater than those reported for salicylic acid and glutarimidedioxime in the literature. The higher UO2(2+) selectivity can likely be attributed to the different coordination modes observed for salicylaldoxime-UO2(2+) and salicylaldoxime-transition metal complexes. Density functional theory calculations indicate that salicylaldoxime can coordinate with UO2(2+) as a dianion species formed by η(2) coordination of the aldoximate and monodentate binding of the phenolate group. In contrast, salicylaldoxime coordinates with transition metal cations as a monoanion species via a chelate formed between phenolate and the oxime N; the complexes are stabilized via hydrogen bonding interactions between the oxime OH group and phenolate. By coupling the experimentally determined thermodynamic constants and the results of theoretical computations, we are able to derive a number of ligand design principles to further improve the UO2(2+) cation affinity, and thus further increase the selectivity of salicylaldoxime derivatives.

  10. Formation of optical properties of intermetallic nanoclusters formed by sequential ion implantation

    Energy Technology Data Exchange (ETDEWEB)

    Zuhr, R.A. [Oak Ridge National Lab., TN (United States). Solid State Div.; Magruder, R.H. III; Anderson, T.S. [Vanderbilt Univ., Nashville, TN (United States). Dept. of Applied and Engineering Sciences

    1997-09-01

    Recent demonstrations that large third order nonlinear responses can be achieved in metal nanocluster glass composites are of significant interest because of their potential for use in all optical switching networks. These composite materials exhibit picosecond switching and relaxation times, thermal and chemical stability, high laser damage thresholds, and low two photon absorption. Ion implantation has been shown to be a useful fabrication method to form these nanoclusters in silica because of its ability to produce thin films in waveguide configurations containing a high volume fraction (> 1%) of metal colloids with well defined vertical and horizontal dimensional control. Using sequential ion implantation of more than one element the authors can modify the composition and microstructure of the composites by forming intermetallic metal colloids. In this work the authors report on the improved optical response of metallic nanocluster composites formed by sequential implantation of Cd and Ag and Sb and Ag. Characterization of the samples by transmission electron microscopy (TEM) reveals that approximately spherical metallic colloids are formed for all implanted species during the implantation process. Selected area diffraction patterns indicate that the colloids formed are intermetallic in composition. Linear optical absorption measurements made at room temperature in air from 900 to 200 nm show significant changes in both the magnitude and wavelength of the surface plasmon resonance. The formation of intermetallic nanoclusters results in changes in both the linear and nonlinear optical properties of the composite material that are not possible with single element colloids alone. The results are explained in terms of effective medium theory.

  11. Structural and optical properties of α-Fe2O3 nanoparticles, influence by holmium ions

    Science.gov (United States)

    Mathevula, L. E.; Noto, L. L.; Mothudi, B. M.; Dhlamini, M. S.

    2018-04-01

    α-Fe2O3 and α-Fe2O3 doped with different concentration of holmium ions were synthesized by a simple sol-gel method. The XRD data confirmed the hexagonal structure of α-Fe2O3 for un-doped and holmium doped samples. The crystallite size was found to be decreasing with increasing holmium concentration. The amount of holmium was quantified using an EDS, which shows an increase in holmium quantity as concentration increases. The UV-Vis measurement shows an absorption edge around 570 nm. The band gap was estimated using the Kubelka-Munk relation and it was found to be fluctuating between 1.94 eV and 2.04 eV. The PL spectra confirmed the effect of holmium ions on luminescence properties of α-Fe2O3 which showed a maximum intensity at 0.1 mol% Holmium, and quenching as the concentration is increased from 0.3 mol% to 0.9 mol%.

  12. Influence of Sn and Pb Ions Substitutions on Dielectric Properties of Barium Titanate

    Directory of Open Access Journals (Sweden)

    Bąk W.

    2016-06-01

    Full Text Available The results of the microstructural and dielectric measurements of (Ba1-xPbx(Ti1-xSnxO3 (BPTSx (x = 0, 0.05, 0.10, 0.30 polycrystalline samples are presented. The samples were obtained by means of a high temperature synthesis and their expected stoichiometry was confirmed by energy dispersive spectroscopy (EDS measurements. The dielectric properties of BPTSx were studied with the use of broadband dielectric spectroscopy. The measurements over a wide range of temperature (from 140 K to 600 K and frequency (from 0.1 Hz to 10 MHz were performed. The experimental results indicate an influence of Pb ions in a sublattice A and Sn ions in a sublattice B substitution on paraelectric - ferroelectric phase transition parameters. Diffused phase transitions from a paraelectric to ferroelectric state (for x = 0.10 and x = 0.30 were observed. From the electric modulus measurements in the frequency domain the relaxation times and the activation energy were determined.

  13. Inactivation of the antibacterial and cytotoxic properties of silver ions by biologically relevant compounds.

    Directory of Open Access Journals (Sweden)

    Geraldine Mulley

    Full Text Available There has been a recent surge in the use of silver as an antimicrobial agent in a wide range of domestic and clinical products, intended to prevent or treat bacterial infections and reduce bacterial colonization of surfaces. It has been reported that the antibacterial and cytotoxic properties of silver are affected by the assay conditions, particularly the type of growth media used in vitro. The toxicity of Ag+ to bacterial cells is comparable to that of human cells. We demonstrate that biologically relevant compounds such as glutathione, cysteine and human blood components significantly reduce the toxicity of silver ions to clinically relevant pathogenic bacteria and primary human dermal fibroblasts (skin cells. Bacteria are able to grow normally in the presence of silver nitrate at >20-fold the minimum inhibitory concentration (MIC if Ag+ and thiols are added in a 1:1 ratio because the reaction of Ag+ with extracellular thiols prevents silver ions from interacting with cells. Extracellular thiols and human serum also significantly reduce the antimicrobial activity of silver wound dressings Aquacel-Ag (Convatec and Acticoat (Smith & Nephew to Staphylococcus aureus, Pseudomonas aeruginosa and Escherichia coli in vitro. These results have important implications for the deployment of silver as an antimicrobial agent in environments exposed to biological tissue or secretions. Significant amounts of money and effort have been directed at the development of silver-coated medical devices (e.g. dressings, catheters, implants. We believe our findings are essential for the effective design and testing of antimicrobial silver coatings.

  14. Optical properties tailoring by high fluence implantation of Ag ions on sapphire

    International Nuclear Information System (INIS)

    Marques, C.; Silva, R.C. da; Wemans, A.; Maneira, M.J.P.; Kozanecki, A.; Alves, E.

    2006-01-01

    Optical and structural properties of single crystalline α-Al 2 O 3 were changed by the implantation of high fluences of Ag ions. Colourless transparent (101-bar 0) sapphire samples were implanted at room temperature with 160keV silver ions and fluences up to 1x10 17 Agcm -2 . Surface amorphization is observed at the fluence of 6x10 16 Agcm -2 . Except for the lower fluences (below 6x10 16 Agcm -2 ) the optical absorption spectra reveal the presence of a band peaking in the region 450-500nm, depending on the retained fluence. This band has been attributed to the presence of silver colloids, being thus 1x10 16 Agcm -2 below the threshold for colloid formation during the implantation. Annealing in oxidizing atmosphere promotes the recrystallization along with segregation of Ag followed by loss through evaporation. Recrystallization is retarded for annealing in reducing atmosphere and the Ag profile displays now a double peak structure after evaporation. Playing with the implantation fluence, temperature and annealing atmosphere controllable shifts of the position and intensity of the optical bands in the visible were achieved

  15. Effect on structure and mechanical property of tungsten irradiated by high intensity pulsed ion beam

    Science.gov (United States)

    Mei, Xianxiu; Zhang, Xiaonan; Liu, Xiaofei; Wang, Younian

    2017-09-01

    The anti-thermal radiation performance of tungsten was investigated by high intensity pulsed ion beam technology. The ion beam was mainly composed of Cn+ (70%) and H+ (30%) at an acceleration voltage of 250 kV under different energy densities for different number of pulses. GIXRD analysis showed that no obvious phase structural changes occurred on the tungsten, and microstress generated. SEM analysis exhibited that there was no apparent irradiation damage on the surface of tungsten at the low irradiation frequency (3 times and 10 times) and at the low energy density (0.25 J/cm2 and 0.7 J/cm2). Cracks appeared on the surface of tungsten after 100-time and 300-time irradiation. Shedding phenomenon even appeared on the surface of tungsten at the energy densities of 1.4 J/cm2 and 2.0 J/cm2. The surface nano-hardness of tungsten decreased with the increase of the pulse times and the energy density. The tungsten has good anti-thermal radiation properties under certain heat load environment.

  16. The Antimicrobial Properties of Silver Nanoparticles in Bacillus subtilis Are Mediated by Released Ag+ Ions.

    Directory of Open Access Journals (Sweden)

    Yi-Huang Hsueh

    Full Text Available The superior antimicrobial properties of silver nanoparticles (Ag NPs are well-documented, but the exact mechanisms underlying Ag-NP microbial toxicity remain the subject of intense debate. Here, we show that Ag-NP concentrations as low as 10 ppm exert significant toxicity against Bacillus subtilis, a beneficial bacterium ubiquitous in the soil. Growth arrest and chromosomal DNA degradation were observed, and flow cytometric quantification of propidium iodide (PI staining also revealed that Ag-NP concentrations of 25 ppm and above increased membrane permeability. RedoxSensor content analysis and Phag-GFP expression analysis further indicated that reductase activity and cytosolic protein expression decreased in B. subtilis cells treated with 10-50 ppm of Ag NPs. We conducted X-ray absorption near-edge structure (XANES and extended X-ray absorption fine structure (EXAFS analyses to directly clarify the valence and fine structure of Ag atoms in B. subtilis cells placed in contact with Ag NPs. The results confirmed the Ag species in Ag NP-treated B. subtilis cells as Ag2O, indicating that Ag-NP toxicity is likely mediated by released Ag+ ions from Ag NPs, which penetrate bacterial cells and are subsequently oxidized intracellularly to Ag2O. These findings provide conclusive evidence for the role of Ag+ ions in Ag-NP microbial toxicity, and suggest that the impact of inappropriately disposed Ag NPs to soil and water ecosystems may warrant further investigation.

  17. Diamond-like carbon prepared by pulsed laser deposition with ion bombardment: physical properties

    Science.gov (United States)

    Písařík, P.; Mikšovský, J.; Remsa, J.; Zemek, J.; Tolde, Z.; Jelínek, M.

    2018-01-01

    Diamond-like carbon (DLC) and titanium-doped DLC thin films were prepared by unique hybrid system consisting of pulsed laser deposition, ion source (bombardment) and magnetron sputtering. The influence of deposition parameters (ion energies, deposition pressures and magnetron power) on composition and physical properties was studied. Composition and sp 3/ sp 2 ratio were determined by XPS. sp 3/ sp 2 ratio was in the range from 1.4 to 2.2 for undoped DLC and from 3.4 to 4.8 for Ti-DLC. AFM showed that the layers were smooth, but with small amounts of random droplets. The measurements of the contact angle and determination of surface free energy were made for water, diiodomethane and ethylene glycol. Hardness and reduced Young's modulus varied from 20 to 31 GPa and from 182 to 276 GPa, respectively. Film adhesion was determined by scratch test; L C3 reached 23 N for DLC and 27 N for TiDLC. Optimization of sp 3/ sp 2 ratio, hardness and adhesion to biomedical alloys will advance the DLC coatings usability in the field of implantology.

  18. Plasma immersion ion implantation of polyurethane shape memory polymer: Surface properties and protein immobilization

    Science.gov (United States)

    Cheng, Xinying; Kondyurin, Alexey; Bao, Shisan; Bilek, Marcela M. M.; Ye, Lin

    2017-09-01

    Polyurethane-type shape memory polymers (SMPU) are promising biomedical implant materials due to their ability to recover to a predetermined shape from a temporary shape induced by thermal activation close to human body temperature and their advantageous mechanical properties including large recovery strains and low recovery stresses. Plasma Immersion Ion Implantation (PIII) is a surface modification process using energetic ions that generates radicals in polymer surfaces leading to carbonisation and oxidation and the ability to covalently immobilise proteins without the need for wet chemistry. Here we show that PIII treatment of SMPU significantly enhances its bioactivity making SMPU suitable for applications in permanent implantable biomedical devices. Scanning Electron Microscopy (SEM), contact angle measurements, surface energy measurements, attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy and X-ray photoelectron spectroscopy (XPS) were used to characterise the PIII modified surface, including its after treatment aging kinetics and its capability to covalently immobilise protein directly from solution. The results show a substantial improvement in wettability and dramatic changes of surface chemical composition dependent on treatment duration, due to the generation of radicals and subsequent oxidation. The SMPU surface, PIII treated for 200s, achieved a saturated level of covalently immobilized protein indicating that a full monolayer coverage was achieved. We conclude that PIII is a promising and efficient surface modification method to enhance the biocompatibility of SMPU for use in medical applications that demand bioactivity for tissue integration and stability in vivo.

  19. Influence of damage caused by Kr ions and neutrons on electrical properties of silicon detectors

    CERN Document Server

    Croitoru, N; Rancoita, P G; Rattaggi, M; Seidman, A

    1999-01-01

    In this paper, new measurements of physical properties of high-resistivity silicon, used in high-energy detectors, are presented. The obtained data contribute to the understanding of the causes which damage the 2electronic characteristics of the detection systems under irradiation of neutrons and ionized particles (Kr). The Hall effect coefficient (R sub H) and resistivity (rho) measurements as a function of temperature (T), for non-irradiated and irradiated by neutrons and Kr ions, were performed. The measurements of the Hall coefficient and resistivity of non-irradiated samples and irradiated at neutron fluences (PHI=9.9x10 sup 1 sup 0 n/cm sup 2 (neutrons) and PHI>=7.5x10 sup 8 Kr/cm sup 3 (ions), cannot be explained, considering the usual theoretical relations. The results, obtained in these experiments, have shown a change of mechanism of conduction due to the damaged regions, where localized levels are created, which are the main cause of the deviation of the electrical characteristics of the detectors ...

  20. The influence of silver-ion doping using ion implantation on the luminescence properties of Er–Yb silicate glasses

    Czech Academy of Sciences Publication Activity Database

    Staněk, S.; Nekvindová, P.; Švecová, B.; Vytykáčová, S.; Míka, M.; Oswald, Jiří; Macková, Anna; Malinský, Petr; Špirková, J.

    2016-01-01

    Roč. 371, Mar (2016), s. 350-354 ISSN 0168-583X. [22nd International conference on Ion Beam Analysis (IBA). Opatija, 14.06.2015-19.06.2015] R&D Projects: GA MŠk LM2015056; GA ČR GA15-01602S Institutional support: RVO:68378271 ; RVO:61389005 Keywords : ion implantation * silicate glass * silver * nanoparticles * erbium Subject RIV: BM - Solid Matter Physics ; Magnetism; BG - Nuclear, Atomic and Molecular Physics, Colliders (UJF-V) Impact factor: 1.109, year: 2016

  1. Shutdown-functionalized nonwoven separator with improved thermal and electrochemical properties for lithium-ion batteries

    Science.gov (United States)

    Kim, Youngkwon; Lee, Won-Yeol; Kim, Ki Jae; Yu, Ji-Sang; Kim, Young-Jun

    2016-02-01

    A shutdown-functionalized nonwoven separator (SFNS) with improved thermal and electrochemical stabilities is prepared by a simple dip coating method for use in lithium-ion battery (LiB) applications. The SFNS shows thermal stability at 200 °C, while providing shutdown functionality at approximately 140 °C, similar to commercial porous polyethylene separators. The surface-coated polymer prevents leakage current problems and in addition, shows air permeability values similar to that of bare nonwoven separators, while maintaining a thickness of about 20 μm, which is a desired attribute of effective separators for LiBs. The SFNS also shows increased electrolyte uptake and higher conductivity, compared to a bare polyethylene separator. Therefore, a cell with the SFNS exhibits higher discharge capacity and better cycle property than that with a porous polyethylene separator. These results suggest that SFNS is an effective separator for high-performance LiBs.

  2. Electrical properties of InP:Fe single crystals implanted by phosphorus ions

    International Nuclear Information System (INIS)

    Radautsan, S.I.; Tiginyanu, I.M.; Pyshnaya, N.B.

    1988-01-01

    Investigations of phosphorus ion implantation in InP:Fe monocrystals and of the post-implantation annealing process upon the electrical properties of InP:Fe were carried out. The electrical parameters of the samples have been determined by Hall effect measurements. The curves of electron surface concentration n s and mobility μ s as functions of annealing temperature in the range of 200 to 600 0 C are shown and discussed. In order to estimate the depth of donor levels in annealed samples the temperature dependence of the surface Hall coefficient has been studied in the range 100 to 400 K. The thermal electron activation energy has been determined to be 0.09 eV

  3. Spectroscopic and Radiative Properties of Several Nd3+ Ions in Borate Glass System

    Directory of Open Access Journals (Sweden)

    Juniastel Rajagukguk

    2016-08-01

    Full Text Available Radiative properties and spectroscopic studies of several Nd3+ doped Borate glass system have been reported. Judd-Ofelt intensity parameter and other parameters like oscillator strength (f, effective bandwidth (Dleff, radiative transition probabilities (AR, stimulated emission cross section (s, branching ratio (bR, radiative lifetime (tR and experimental lifetime (texp for the hypersensitive Nd3+ doped Borate Glass are listed and discussed. The variation of W2 values for the different host matrix are expressed their covalency among Nd3+ ions in the glass matrix. In this study, reported that the hypersensitive transition achieved at 4I9/2 ® 4G5/2, 2G7/2 centered at 580 – 585 nm range.

  4. Mechanical properties considerations for use of epoxy insulators and bonded joints in neutral beam ion sources

    Science.gov (United States)

    Doll, D. W.; Trester, P. W.; Staley, H. G.

    1981-10-01

    In the Doublet III (D-III) neutral beam injectors, cast, rigid epoxy insulators are joined to the AISI 304 stainless steel corona rings with semirigid epoxy adhesive. Selected mechanical properties of these materials were measured between 11 C and 65 C, well below the material temperature limits, to identify the trends and to confirm adequate mechanical strength for the insulators. Significant creep deformation was measured at 22 C. Empirical relationships were developed to predict long term strain over a range of stress and temperature of design interest. Delayed failure was observed in bonded specimens at stress levels well below the ultimate strength. In order to protect the D-III neutral beam ion source epoxy from elevated temperature effects, a chill was installed in the cooling water circuit. Outgassing measurements of the insulator epoxy were made and found to be low and primarily H2O.

  5. Ion-Regulated Allosteric Binding of Fullerenes (C-60 and C-70) by Tetrathiafulvalene-Calix[4]pyrroles

    DEFF Research Database (Denmark)

    Davis, C. M.; Lim, J. M.; Larsen, K. R.

    2014-01-01

    The effect of ionic species on the binding of fullerenes (C-60 and C-70) by tetrathiafulvalene-calix[4]pyrrole (TTF-C4P) receptors and the nature of the resulting supramolecular complexes (TTF-C4P + fullerene + halide anion + tetraalkylammonium cation) was studied in the solid state through single...... of the C4P in a ball-and-socket binding mode. The interactions between the TTF-C4P receptors and the fullerene guests are highly influenced by both the nature of halide anions and their counter tetraalkylammonium cations. Three halides (F-, Cl-, and Br-) were studied. All three potentiate the binding...... of the two test fullerenes by inducing a conformational change from the 1,3-alternate to the cone conformer of the TTF-C4Ps, thus acting as positive heterotropic allosteric effectors. For a particular halide anion, the choice of tetraalkylammonium salts serves to modulate the strength of the TTF-C4P...

  6. Irradiation effects with 100 MeV Xe ions on optical properties of Al-doped ZnO films

    International Nuclear Information System (INIS)

    Fukuoka, O.; Matsunami, N.; Tazawa, M.; Shimura, T.; Sataka, M.; Sugai, H.; Okayasu, S.

    2006-01-01

    Al-doped ZnO (AZO) films are known as n-type transparent semiconductors. We have investigated the effects of 100 MeV Xe ion irradiation on the optical and structural properties of AZO films, which were prepared on SiO 2 glass at 400 deg. C by using a RF-magnetron sputtering deposition method. We discuss relationships between these property modifications and the recent observations of the conductivity increase by ion irradiation. It is suggested that the band-gap modification has more close relation with the conductivity increase than the structural modification

  7. Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine.

    Science.gov (United States)

    Duan, Yuhua; Stinespring, Charter D; Chorpening, Benjamin

    2015-10-01

    To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2 H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine above the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the p orbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.

  8. The physicochemical properties, in vitro binding capacities and in vivo hypocholesterolemic activity of soluble dietary fiber extracted from soy hulls.

    Science.gov (United States)

    Liu, Chun; Lin, Xiao-Lu; Wan, Zhili; Zou, Yuan; Cheng, Fen-Fen; Yang, Xiao-Quan

    2016-12-07

    Soluble dietary fibers (SDFs) have earned a healthy reputation due to their distinguished physiological functions. In this study, SDF was efficiently extracted from soy hulls using a phosphate-assisted subcritical water extraction method. The physicochemical properties, in vitro binding capacities and in vivo hypocholesterolemic activity of soy hull soluble dietary fiber (SHSDF) were evaluated. The results indicated that the major component of SHSDF was pectic polysaccharides, and with comparison to commercial oat β-glucan, SHSDF had favorable solubility, viscosity, water-holding ability (5.26 g water per g sample), and oil holding capacity (4.83 g oil per g sample). It also possessed good in vitro cholesterol-binding capacity (6.18 mg g -1 sample at pH 2 and 7.62 mg g -1 sample at pH 7), bile acid-binding capacity (3.3, 1.73 and 6.65 μM of GCA, GCDCA and GDCA per 100 mg of sample), glucose dialysis retardation index (64.76%), and in vivo hypocholesterolemic activity (16.88% and 35.28% reduction in serum total cholesterol and LDL level in rats, respectively). These data suggest that SHSDF has great potential in food applicatio