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Sample records for metals ii positron

  1. Prevacancy effects in metals observed by positron annihilation

    SciTech Connect

    Smedskjaer, L.C.

    1982-03-01

    The prevacancy effects sometimes observed in high-purity, well-annealed metals, are discussed. It is concluded that these effects are extrinsic and are most likely due to positron trapping in defects. The nature of the defects is discussed, and it is pointed out that the presence of dislocations in the samples could cause prevacancy effects.

  2. Computational Study of Positron-Monovacancy Interaction in d-Block Metals

    NASA Astrophysics Data System (ADS)

    Ishibashi, Shoji

    2015-08-01

    The positron-monovacancy interaction in d-block metals (except for Mn, Tc, and Hg) has been studied by the two-component density-functional-theory formalism [E. Boroński and R. M. Nieminen, Phys. Rev. B 34, 3820 (1986)]. On the unrelaxed structure, the positron lifetime calculated with the presence of a positron is generally longer than that obtained neglecting the positron effect. When the atomic positions are relaxed, the difference is widened, especially for the group V metals. The inward relaxation of the atoms surrounding the monovacancy is suppressed when the positron effect is taken into account. The difference in the positron lifetime can be also related to the bulk modulus and the cohesive energy.

  3. Effect of metal ions on positron annihilation characteristics in metal ion containing epoxies

    NASA Technical Reports Server (NTRS)

    Singh, J. J.; St. Clair, A. K.; Stoakley, D. M.; Holt, W. H.; Mock, W., Jr.

    1984-01-01

    In the course of developing improved moisture-resistant epoxy resins, two different types of epoxy resins containing variable mole ratios of chromium ions per polymer repeat unit were developed. Positron annihilation characteristics have been investigated in these resins as a function of their metal ion content. In both cases, the presence of metal ions reduces the lifetime as well as the intensity of the long life component. The long life component intensity reduction is considerably more pronounced than the lifetime reduction. These results have been discussed in terms of increased unpaired electron density at Ps formation sites due to the presence of chromium ions in the matrix.

  4. Spectroscopic, Elemental and Thermal Analysis, and Positron Annihilation Studies on Ca(II), Sr(II), Ba(II), Pb(II), and Fe(III) Penicillin G Potassium Complexes

    NASA Astrophysics Data System (ADS)

    Refat, M. S.; Sharshara, T.

    2015-11-01

    The [Pb(Pin)2] · 3H2O, [M(Pin)(H2O)2(Cl)] · nH2O (M = SrII, CaII or BaII; n = 0-1), and [Fe(Pin)2(Cl)(H2O)] · H2O penicillin G potassium (Pin) complexes were synthesized and characterized using elemental analyses, molar conductivity, thermal analysis and electronic spectroscopy techniques. The positron annihilation lifetime (PAL) and Doppler broadening (DB) techniques have been employed to probe the defects and structural changes of Pin ligand and its complexes. The PAL and DB line-shape parameters were discussed in terms of the structure, molecular weight, ligand-metal molar ratio, and other properties of the Pin complexes.

  5. Online beam energy measurement of Beijing electron positron collider II linear accelerator.

    PubMed

    Wang, S; Iqbal, M; Liu, R; Chi, Y

    2016-02-01

    This paper describes online beam energy measurement of Beijing Electron Positron Collider upgraded version II linear accelerator (linac) adequately. It presents the calculation formula, gives the error analysis in detail, discusses the realization in practice, and makes some verification. The method mentioned here measures the beam energy by acquiring the horizontal beam position with three beam position monitors (BPMs), which eliminates the effect of orbit fluctuation, and is much better than the one using the single BPM. The error analysis indicates that this online measurement has further potential usage such as a part of beam energy feedback system. The reliability of this method is also discussed and demonstrated in this paper.

  6. Online beam energy measurement of Beijing electron positron collider II linear accelerator

    NASA Astrophysics Data System (ADS)

    Wang, S.; Iqbal, M.; Liu, R.; Chi, Y.

    2016-02-01

    This paper describes online beam energy measurement of Beijing Electron Positron Collider upgraded version II linear accelerator (linac) adequately. It presents the calculation formula, gives the error analysis in detail, discusses the realization in practice, and makes some verification. The method mentioned here measures the beam energy by acquiring the horizontal beam position with three beam position monitors (BPMs), which eliminates the effect of orbit fluctuation, and is much better than the one using the single BPM. The error analysis indicates that this online measurement has further potential usage such as a part of beam energy feedback system. The reliability of this method is also discussed and demonstrated in this paper.

  7. Track structure simulation for positron emitters of physical interest. Part II: The case of the radiometals

    NASA Astrophysics Data System (ADS)

    Le Loirec, C.; Champion, C.

    2007-11-01

    The development of radiochemical services in hospitals, due to the wide use of Positron Emission Tomography (PET) in nuclear medicine, has led to the synthesis of new radiotracers among them radiometals which present a large panel of advantages in terms of half-life times and emission spectra. The most encouraging are the copper isotopes 62Cu and 64Cu as well as 60Cu and 61Cu and the technetium isotope 94mTc used for diagnosis and pharmacokinetic studies. The manganese isotopes 52mMn, 52Mn and 51Mn also present some interesting characteristics, especially 52mMn produced during the decay of 52Fe. Finally, the less known isotopes 89Zr, 45Ti, and 86Y can also be used as surrogates of some therapeutic agents, whereas 38K, 55Co and 66Ga may be used as PET imaging tracers. In this work, we propose an intercomparison of these PET radiometal isotopes. To do that, we have used the home-made Monte Carlo simulation previously described in Champion and Le Loirec [Phys. Med. Biol. 51 (2006) 1707] to simulate the complete decay of β + tracers in biological matter. Under these conditions, we access to a complete description of the positronic irradiation during PET exams using metallic isotopes. The results obtained are also compared with existing theoretical and experimental data and good agreement is generally observed.

  8. Threshold behavior of positronium formation in positron-alkali-metal scattering

    NASA Astrophysics Data System (ADS)

    Lugovskoy, A. V.; Utamuratov, R.; Kadyrov, A. S.; Stelbovics, A. T.; Bray, I.

    2013-04-01

    We consider positron scattering on the alkali-metal atoms of Li, Na, and K at very low energies, where only the elastic scattering and positronium formation in the ground state are the two open channels. Utilizing the recently developed two-center convergent close-coupling method [Lugovskoy, Kadyrov, Bray, and Stelbovics, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.062708 82, 062708 (2010)] we investigate the behavior of the cross sections as the impact energy goes to zero and demonstrate their convergence. The study sets quantitative benchmarks for any rigorous theoretical treatment of the collision problems.

  9. Current-induced spin polarization on metal surfaces probed by spin-polarized positron beam

    PubMed Central

    Zhang, H. J.; Yamamoto, S.; Fukaya, Y.; Maekawa, M.; Li, H.; Kawasuso, A.; Seki, T.; Saitoh, E.; Takanashi, K.

    2014-01-01

    Current-induced spin polarization (CISP) on the outermost surfaces of Au, Cu, Pt, Pd, Ta, and W nanoscaled films were studied using a spin-polarized positron beam. The Au and Cu surfaces showed no significant CISP. In contrast, the Pt, Pd, Ta, and W films exhibited large CISP (3~15% per input charge current of 105 A/cm2) and the CISP of Ta and W were opposite to those of Pt and Pd. The sign of the CISP obeys the same rule in spin Hall effect suggesting that the spin-orbit coupling is mainly responsible for the CISP. The magnitude of the CISP is explained by the Rashba-Edelstein mechanism rather than the diffusive spin Hall effect. This settles a controversy, that which of these two mechanisms dominates the large CISP on metal surfaces. PMID:24776781

  10. Microwave Transmission Measurements of the Electron Cloud density In the Positron Ring of PEP-II

    SciTech Connect

    Pivi, Mauro T.F.; Krasnykh, Anatoly K.; Byrd, John; De Santis, Stefano; Sonnaad, Kiran G.; Caspers, Fritz; Kroyer, Tom

    2008-06-18

    Clouds of electrons in the vacuum chambers of accelerators of positively charged particle beams present a serious limitation for operation of these machines at high currents. Because of the size of these accelerators, it is difficult to probe the low energy electrons clouds over substantial lengths of the beam pipe. We applied a novel technique to directly measure the electron cloud density via the phase shift induced in a TE wave which is independently excited and transmitted over a straight section of the accelerator. The modulation in the wave transmission which appears to increase in depth when the clearing solenoids are switched off, seem to be directly correlated to the electron cloud density in the section. Furthermore, we expect a larger phase shift of a wave transmitted through magnetic dipole field regionsif the transmitted wave couples with the gyration motion of the electrons. We have used this technique to measure the average electron cloud density (ECD) specifically for the first time in magnetic field regions of a new 4-dipole chicane in the positron ring of the PEP-II collider at SLAC. In this paper we present and discuss the measurements taken in the Low Energy Ring (LER) between 2006 and 2008.

  11. Microwave Transmission Measurements of the Electron Cloud Density In The Positron Ring of PEP-II

    SciTech Connect

    Pivi, M.T.F.; Krasnykh, A.K; Byrd, J.; Santis, S.De; Sonnad, K.G.; Caspers, F.; Kroyer, T.; /CERN

    2008-07-03

    Clouds of electrons in the vacuum chambers of accelerators of positively charged particle beams present a serious limitation for operation of these machines at high currents. Because of the size of these accelerators, it is difficult to probe the low energy electron clouds over substantial lengths of the beam pipe. We applied a novel technique to directly measure the electron cloud density via the phase shift induced in a TE wave which is independently excited and transmitted over a straight section of the accelerator. The modulation in the wave transmission which appear to increase in depth when the clearing solenoids are switched off, seem to be directly correlated to the electron cloud density in the section. Furthermore, we expect a larger phase shift of a wave transmitted through magnetic dipole field regions if the transmitted wave couples with the gyration motion of the electrons. We have used this technique to measure the average electron cloud density (ECD) specifically for the first time in magnetic field regions of a new 4-dipole chicane in the positron ring of the PEP-II collider at SLAC. In this paper we present and discuss the measurements taken in the Low Energy Ring (LER) between 2006 and 2008.

  12. The electron-cloud instability in the arcs of the PEP-II positron ring

    SciTech Connect

    Furman, Miguel A.; Lambertson, Glen R.

    1998-03-01

    We have applied our simulation code ''POSINST'' to evaluate, in linear approximation, the contribution to the growth rate of the electron-cloud instability (ECI) from the pumping sections and the dipole bending magnets in the arcs of the PEP-II positron ring. A key ingredient in our model is a detailed description of the secondary emission process off the TiN-coated chambers. Another important element is the analytic computation of the electric field produced by the beam, including the effects from surface charges. Space-charge forces of the electron cloud upon itself are also included, although these forces are negligible under nominal conditions. Bunch-length effects are optionally included by slicing the bunch into several kicks. We conclude that the growth rate is dominated by the pumping sections and scales linearly with the photoelectric yield Y'. For Y' = 1, our present estimate is in the range {approx} 1000-1300 s{sup -1}, depending upon the value of the photon reflectivity R. This is in the range controllable by the transverse feedback system. The contributions to the growth rate from other magnets and from other sections of the ring remain to be evaluated.

  13. Study of PRIMAVERA steel samples by positron annihilation spectroscopy technique II - Lifetime measurements

    NASA Astrophysics Data System (ADS)

    Krsjak, V.; Grafutin, V.; Ilyukhina, O.; Burcl, R.; Ballesteros, A.; Hähner, P.

    2012-02-01

    In the present article, a positron annihilation lifetime technique was used for the study of VVER-440/230 weld materials, manufactured in the frame of the international PRIMAVERA project on microstructural investigation of the irradiated WWER-440 reactor pressure vessel steel. The present results complement our previous report of positron angular correlation experiments and provide in-depth characterization of vacancy type defects behavior under irradiation and thermal treatment. The results give new insight into the previously published atom probe tomography and angular correlation of annihilation radiation studies. The measurements do not show any association of phosphorus or its segregation to the open volume defects investigated by positron annihilation spectroscopy. The embrittlement effects related to the phosphorus seem to be effectively annealed-out during 475 °C thermal treatment and the post annealing microstructure and mechanical properties of the material are consequently affected mostly by agglomerations of vacancy clusters coarsened during thermal treatment.

  14. Large-dimension configuration-interaction calculations of positron binding to the group-II atoms

    SciTech Connect

    Bromley, M. W. J.; Mitroy, J.

    2006-03-15

    The configuration-interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e{sup +}Be, e{sup +}Mg, e{sup +}Ca, and e{sup +}Sr. These calculations were carried out in orbital spaces containing about 200 electron and 200 positron orbitals up to l=12. Despite the very large dimensions, the binding energy and annihilation rate converge slowly with l, and the final values do contain an appreciable correction obtained by extrapolating the calculation to the l{yields}{infinity} limit. The binding energies were 0.00317 hartree for e{sup +}Be, 0.0170 hartree for e{sup +}Mg, 0.0189 hartree for e{sup +}Ca, and 0.0131 hartree for e{sup +}Sr.

  15. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOEpatents

    O`Neill, M.A.; Pellerin, P.J.M.; Warrenfeltz, D.; Vidal, S.; Darvill, A.G.; Albersheim, P.

    1999-03-02

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations. 15 figs.

  16. Plant rhamnogalacturonan II complexation of heavy metal cations

    DOEpatents

    O'Neill, Malcolm A.; Pellerin, Patrice J. M.; Warrenfeltz, Dennis; Vidal, Stephane; Darvill, Alan G.; Albersheim, Peter

    1999-01-01

    The present invention provides rhamnogalacturonan-II (RG-II) and relates to its ability to complex specific multivalent heavy metal cations. In the presence of boric acid, RG-II monomers form dimers that are cross-linked by a borate ester. The yield of such borate ester cross-linked dimers of RG-II is enhanced in the presence of specific heavy metal cations. The present invention further relates to the utility of RG-II in assays for the detection of specific heavy metal contamination; as a reagent useful in the removal of specific heavy metal cations contaminating foods and liquids, for example, fish, wines, etc.; as a pharmaceutical composition useful as an antidote in specific heavy metal cation poisoning; as a treatment for the detoxification of specific heavy metal cations from blood and/or tissues; and in a method of remediation of waters and soils contaminated with specific heavy metal cations.

  17. A dedicated calibration tool for the MEG and MEG II positron spectrometer

    NASA Astrophysics Data System (ADS)

    Rutar, G.; Bemporad, C.; Cattaneo, P. W.; Cei, F.; Galli, L.; Kettle, P.-R.; Papa, A.

    2016-07-01

    The MEG experiment has set the latest limit of 5.7 ×10-13(90 % C.L.) on the branching ratio of the charged lepton flavor violating decay μ+ →e+ γ, making use of the most intense continuous surface muon beam in the world at the Paul Scherrer Institut (PSI), Villigen, Switzerland. High resolutions in terms of energy, timing and relative opening angle are needed in the detection of the e+ and gamma, requiring careful calibration and monitoring of the experimental apparatus. A dedicated calibration method involving Mott scattering of a monochromatic positron beam at energies close to the MEG signal energy is presented.

  18. CHARACTERIZATION OF PLASTICALLY-INDUCED STRUCTURAL CHANGES IN A Zr-BASED BULK METALLIC GLASS USING POSITRON ANNIHILATION SPECTROCOPY

    SciTech Connect

    Flores, K M; Kanungo, B P; Glade, S C; Asoka-Kumar, P

    2005-09-16

    Flow in metallic glasses is associated with stress-induced cooperative rearrangements of small groups of atoms involving the surrounding free volume. Understanding the details of these rearrangements therefore requires knowledge of the amount and distribution of the free volume and how that distribution evolves with deformation. The present study employs positron annihilation spectroscopy to investigate the free volume change in Zr{sub 58.5}Cu{sub 15.6}Ni{sub 12.8}Al{sub 10.3}Nb{sub 2.8} bulk metallic glass after inhomogeneous plastic deformation by cold rolling and structural relaxation by annealing. Results indicate that the size distribution of open volume sites is at least bimodal. The size and concentration of the larger group, identified as flow defects, changes with processing. Following initial plastic deformation the size of the flow defects increases, consistent with the free volume theory for flow. Following more extensive deformation, however, the size distribution of the positron traps shifts, with much larger open volume sites forming at the expense of the flow defects. This suggests that a critical strain is required for flow defects to coalesce and form more stable nanovoids, which have been observed elsewhere by high resolution TEM. Although these results suggest the presence of three distinct open volume size groups, further analysis indicates that all groups have the same line shape parameter. This is in contrast to the distinctly different interactions observed in crystalline materials with multiple defect types. This similarity may be due to the disordered structure of the glass and positron affinity to particular atoms surrounding open-volume regions.

  19. The near-infrared Ca II triplet as a metallicity indicator - II. Extension to extremely metal-poor metallicity regimes

    NASA Astrophysics Data System (ADS)

    Carrera, R.; Pancino, E.; Gallart, C.; del Pino, A.

    2013-09-01

    We extend our previous calibration of the infrared Ca II triplet (CaT) as a metallicity indicator to the metal-poor regime by including observations of 55 field stars with [Fe/H] down to -4.0 dex. While we previously solved the saturation at high metallicity using a combination of a Lorentzian and a Gaussian to reproduce the line profiles, in this paper we address the non-linearity at low metallicity following the suggestion of Starkenburg et al. of adding two non-linear terms to the relation among the [Fe/H], luminosity and strength of the calcium triplet lines. Our calibration thus extends from -4.0 to +0.5 in metallicity and is presented using four different luminosity indicators: V - VHB, MV, MI and MK. The calibration obtained in this paper results in a tight correlation between [Fe/H] abundances measured from high-resolution spectra and [Fe/H] values derived from the CaT, over the whole metallicity range covered.

  20. Type II supernovae as probes of environment metallicity: observations of host H II regions

    NASA Astrophysics Data System (ADS)

    Anderson, J. P.; Gutiérrez, C. P.; Dessart, L.; Hamuy, M.; Galbany, L.; Morrell, N. I.; Stritzinger, M. D.; Phillips, M. M.; Folatelli, G.; Boffin, H. M. J.; de Jaeger, T.; Kuncarayakti, H.; Prieto, J. L.

    2016-05-01

    Context. Spectral modelling of type II supernova atmospheres indicates a clear dependence of metal line strengths on progenitor metallicity. This dependence motivates further work to evaluate the accuracy with which these supernovae can be used as environment metallicity indicators. Aims: To assess this accuracy we present a sample of type II supernova host H ii-region spectroscopy, from which environment oxygen abundances have been derived. These environment abundances are compared to the observed strength of metal lines in supernova spectra. Methods: Combining our sample with measurements from the literature, we present oxygen abundances of 119 host H ii regions by extracting emission line fluxes and using abundance diagnostics. These abundances are then compared to equivalent widths of Fe ii 5018 Å at various time and colour epochs. Results: Our distribution of inferred type II supernova host H ii-region abundances has a range of ~0.6 dex. We confirm the dearth of type II supernovae exploding at metallicities lower than those found (on average) in the Large Magellanic Cloud. The equivalent width of Fe ii 5018 Å at 50 days post-explosion shows a statistically significant correlation with host H ii-region oxygen abundance. The strength of this correlation increases if one excludes abundance measurements derived far from supernova explosion sites. The correlation significance also increases if we only analyse a "gold" IIP sample, and if a colour epoch is used in place of time. In addition, no evidence is found of a correlation between progenitor metallicity and supernova light-curve or spectral properties - except for that stated above with respect to Fe ii 5018 Å equivalent widths - suggesting progenitor metallicity is not a driving factor in producing the diversity that is observed in our sample. Conclusions: This study provides observational evidence of the usefulness of type II supernovae as metallicity indicators. We finish with a discussion of the

  1. A search for supersymmetric electrons with the Mark II detector at PEP (Positron Electron Project)

    SciTech Connect

    LeClaire, B.W.

    1987-10-01

    An experimental search for selectrons, the supersymmetric partner of the electron, has been performed at the PEP storage ring at SLAC using the Mark II detector. The experimental search done was based upon hypothetical reaction in e/sup +/e/sup -/ interactions at PEP center of mass energies of 29 GeV. In this reaction the selectrons, e-tilde, are assumed produced by the interaction of one of initial state electrons with a photon radiated from the other initial state electron. This latter electron is assumed to continue down the beam pipe undetected. The photon and electron then produce a selectron and a photino, ..gamma..-tilde, in the supersymmetric analog of Compton scattering. The photino is assumed to be the lightest supersymmetric particle, and as such, does not interact in the detector, thereby escaping detection very much like a neutrino. The selectron is assumed to immediately decay into an electron and photino. This electron is produced with large p perpendicular with respect to the beam pipe, since it must balance the transverse momentum carried off by the photinos. Thus, the experimental signature of the process is a single electron in the detector with a large unbalanced tranverse momentum. No events of this type were observed in the original search of 123 pb/sup -1/ of data, resulting in a cross section limit of less than 2.4 x 10/sup -2/ pb (at the 95% CL) within the detector acceptance. This cross section upper limit applies to any process which produces anomalous single electron events with missing transverse momentum. When interpreted as a supersymmetry search it results in a lower selectron mass limit of 22.2 GeV/c/sup 2/ for the case of massless photinos. Limits for non-zero mass photinos have been calculated. 87 refs., 67 figs., 17 tabs.

  2. Metallic fuels: The EBR-II legacy and recent advances

    SciTech Connect

    Douglas L. Porter; Steven L. Hayes; J. Rory Kennedy

    2012-09-01

    Experimental Breeder Reactor – II (EBR-II) metallic fuel was qualified for high burnup to approximately 10 atomic per cent. Subsequently, the electrometallurgical treatment of this fuel was demonstrated. Advanced metallic fuels are now investigated for increased performance, including ultra-high burnup and actinide burning. Advances include additives to mitigate the fuel/cladding chemical interaction and uranium alloys that combine Mo, Ti and Zr to improve alloy performance. The impacts of the advances—on fabrication, waste streams, electrorefining, etc.—are found to be minimal and beneficial. Owing to extensive research literature and computational methods, only a modest effort is required to complete their development.

  3. Pb(II) distributions at biofilm-metal oxide interfaces.

    PubMed

    Templeton, A S; Trainor, T P; Traina, S J; Spormann, A M; Brown, G E

    2001-10-01

    The distribution of aqueous Pb(II) sorbed at the interface between Burkholderia cepacia biofilms and hematite (alpha-Fe(2)O(3)) or corundum (alpha-Al(2)O(3)) surfaces has been probed by using an application of the long-period x-ray standing wave technique. Attached bacteria and adsorbed organic matter may interfere with sorption processes on metal oxide surfaces by changing the characteristics of the electrical double layer at the solid-solution interface, blocking surface sites, or providing a variety of new sites for metal binding. In this work, Pb L(alpha) fluorescence yield profiles for samples equilibrated with 10(-7) to 10(-3.8) M Pb(II) were measured and modeled to determine quantitatively the partitioning of Pb(II) at the biofilm-metal oxide interface. Our data show that the reactive sites on the metal oxide surfaces were not passivated by the formation of a monolayer biofilm. Instead, high-energy surface sites on the metal oxides form the dominant sink for Pb(II) at submicromolar concentrations, following the trend alpha-Fe(2)O(3) (0001) > alpha-Al(2)O(3) (1102) > alpha-Al(2)O(3) (0001), despite the greater site density within the overlying biofilms. At [Pb] > 10(-6) M, significant Pb uptake by the biofilms was observed.

  4. TEMPERATURE STRUCTURE AND METALLICITY IN H II REGIONS

    SciTech Connect

    Rodriguez, Monica; GarcIa-Rojas, Jorge E-mail: jogarcia@iac.e

    2010-01-10

    The metallicities implied by collisionally excited lines (CELs) of heavy elements in H II regions are systematically lower than those implied by recombination lines (RLs) by factors of approx2, introducing uncertainties of the same order in the metallicities inferred for the interstellar medium of any star-forming galaxy. Most explanations of this discrepancy are based on the different sensitivities of CELs and RLs to electron temperature, and invoke either some extra heating mechanism producing temperature fluctuations in the ionized region or the addition of cold gas in metal-rich inclusions or ionized by cosmic rays or X-rays. These explanations will change the temperature structure of the ionized gas from the one predicted by simple photoionization models, and depending on which one is correct, will imply different metallicities for the emitting gas. We select nine H II regions with observed spectra of high quality and show that simple models with metallicities close to the ones implied by oxygen CELs reproduce easily their temperature structure, measured with T{sub e}([N II])/T{sub e}([O III]), and their oxygen CELs emission. We discuss the strong constraints that this agreement places on the possible explanations of the discrepancy and suggest that the simplest explanation, namely errors in the line recombination coefficients by factors approx2, might be the correct one. In such case, CELs will provide the best estimates of metallicity.

  5. Adsorption of Pb(II), Cu(II), Cd(II), Zn(II), Ni(II), Fe(II), and As(V) on bacterially produced metal sulfides.

    PubMed

    Jong, Tony; Parry, David L

    2004-07-01

    The adsorption of Pb(II), Cu(II), Cd(II), Zn(II), Ni(II), Fe(II) and As(V) onto bacterially produced metal sulfide (BPMS) material was investigated using a batch equilibrium method. It was found that the sulfide material had adsorptive properties comparable with those of other adsorbents with respect to the specific uptake of a range of metals and, the levels to which dissolved metal concentrations in solution can be reduced. The percentage of adsorption increased with increasing pH and adsorbent dose, but decreased with increasing initial dissolved metal concentration. The pH of the solution was the most important parameter controlling adsorption of Cd(II), Cu(II), Fe(II), Ni(II), Pb(II), Zn(II), and As(V) by BPMS. The adsorption data were successfully modeled using the Langmuir adsorption isotherm. Desorption experiments showed that the reversibility of adsorption was low, suggesting high-affinity adsorption governed by chemisorption. The mechanism of adsorption for the divalent metals was thought to be the formation of strong, inner-sphere complexes involving surface hydroxyl groups. However, the mechanism for the adsorption of As(V) by BPMS appears to be distinct from that of surface hydroxyl exchange. These results have important implications to the management of metal sulfide sludge produced by bacterial sulfate reduction.

  6. Positron follow-up in liquid water: II. Spatial and energetic study for the most important radioisotopes used in PET.

    PubMed

    Champion, C; Le Loirec, C

    2007-11-21

    With the increasing development of positron emission tomography (PET), beta(+)-emitters are more and more regularly used in nuclear medicine. Therefore, today it is of prime importance to have a reliable description of their behavior in living matter in order to quantify the full spectra of the molecular damages potentially radio-induced and then to access a cellular dosimetry. In this work, we present a detailed inter-comparison of the main isotopes commonly used in PET: (18)F, (11)C, (13)N, (15)O, (68)Ga and (82)Rb. We have used an event-by-event Monte Carlo code recently developed for positron tracking in water (Champion and Le Loirec 2006 Phys. Med. Biol. 51 1707-23) which consists in simulating step-by-step, interaction after interaction, the history of each ionizing particle created during the irradiation of the biological matter. This simulation has been finally adapted for describing the decays of medically important positron emitters. Quantitative information about positron penetrations, Positronium formation, annihilation event distributions, energy deposit patterns and dose profiles is then accessible and compared to published measurements and/or calculations.

  7. Preparation and Characterization of Bi-metallic and Tri-metallic Metal Organic Frameworks Based on Trimesic Acid and Co(II), Ni(II), and Cu(II) Ions

    NASA Astrophysics Data System (ADS)

    Sahiner, Nurettin; Demirci, Sahin; Yildiz, Mustafa

    2016-10-01

    Trimesic acid-M1(II):M2(II) (M1,2(II)=M(II)=Co(II), Ni(II) and Cu(II)) bi-metallic or tri-metallic organic frameworks (MOFs) were synthesized by the reaction of trimesic acid (H3BTC) ligand with the corresponding MCl2nH2O aqueous solutions. Here, bi- and tri-metallic MOF preparations were demonstrated by using H3BTC as an organic linker, with dual metal ion mixtures at different mole ratios such as Co(II):Ni(II), Ni(II):Cu(II), and Cu(II):Co(II) as metal ion sources in the synthesis of bi-metallic MOFs, and the triple metal ion mixture of Co(II):Ni(II):Cu(II) as the metal ion source in the synthesis of tri-metallic MOFs. The bi- or tri-metallic MOFs were characterized via the Brunauer-Emmett-Teller method, thermogravimetric analyzer (TGA), and magnetic susceptibility measurements with the Gouy method, FT-IR spectroscopy, and electronic spectral studies. The results revealed that the H3BTC MOFs have octahedral and distorted octahedral arrangement around the metal ions, and the d-d transition was not observed in the complex. It was further found that all the prepared MOFs contain water molecules confirmed by Fourier transform infrared (FT-IR) and TGA analyses. The FT-IR spectra of the MOF complexes were characterized by the appearance of a broad band in the region of 3454-3300 cm-1 due to the ν(-OH) of the coordinated water; therefore, the location of the two water molecules was assumed to be inside the complex structure. Remarkably, the synthesized bi-metallic MOFs had unique and distinct colors depending on the amounts of metal ions used in the feed, implying that these bi-metallic MOFs with tunable M1(II) and M2(II) ratios offer great potential in the design of color-coded materials for use as sensors.

  8. Nondestructive examination using neutron activated positron annihilation

    DOEpatents

    Akers, Douglas W.; Denison, Arthur B.

    2001-01-01

    A method is provided for performing nondestructive examination of a metal specimen using neutron activated positron annihilation wherein the positron emitter source is formed within the metal specimen. The method permits in situ nondestructive examination and has the advantage of being capable of performing bulk analysis to determine embrittlement, fatigue and dislocation within a metal specimen.

  9. Vacancy defects and defect clusters in alkali metal ion-doped MgO nanocrystallites studied by positron annihilation and photoluminescence spectroscopy

    NASA Astrophysics Data System (ADS)

    Sellaiyan, S.; Uedono, A.; Sivaji, K.; Janet Priscilla, S.; Sivasankari, J.; Selvalakshmi, T.

    2016-10-01

    Pure and alkali metal ion (Li, Na, and K)-doped MgO nanocrystallites synthesized by solution combustion technique have been studied by positron lifetime and Doppler broadening spectroscopy methods. Positron lifetime analysis exhibits four characteristic lifetime components for all the samples. Doping reduces the Mg vacancy after annealing to 800 °C. It was observed that Li ion migrates to the vacancy site to recover Mg vacancy-type defects, reducing cluster vacancies and micropores. For Na- and K-doped MgO, the aforementioned defects are reduced and immobile at 800 °C. Coincidence Doppler broadening studies show the positron trapping sites as vacancy clusters. The decrease in the S parameter is due to the particle growth and reduction in the defect concentration at 800 °C. Photoluminescence study shows an emission peak at 445 nm and 498 nm, associated with F2 2+ and recombination of higher-order vacancy complexes. Further, annealing process is likely to dissociate F2 2+ to F+ and this F+ is converted into F centers at 416 nm.

  10. Surface sealing using self-assembled monolayers and its effect on metal diffusion in porous low-k dielectrics studied using monoenergetic positron beams

    NASA Astrophysics Data System (ADS)

    Uedono, Akira; Armini, Silvia; Zhang, Yu; Kakizaki, Takeaki; Krause-Rehberg, Reinhard; Anwand, Wolfgang; Wagner, Andreas

    2016-04-01

    Surface sealing effects on the diffusion of metal atoms in porous organosilicate glass (OSG) films were studied by monoenergetic positron beams. For a Cu(5 nm)/MnN(3 nm)/OSG(130 nm) sample fabricated with pore stuffing, C4F8 plasma etch, unstuffing, and a self-assembled monolayer (SAM) sealing process, it was found that pores with cubic pore side lengths of 1.1 and 3.1 nm coexisted in the OSG film. For the sample without the SAM sealing process, metal (Cu and Mn) atoms diffused from the top Cu/MnN layer into the OSG film and were trapped by the pores. As a result, almost all pore interiors were covered with those metals. For the sample damaged by an Ar/C4F8 plasma etch treatment before the SAM sealing process, SAMs diffused into the OSG film, and they were preferentially trapped by larger pores. The cubic pore side length in these pores containing self-assembled molecules was estimated to be 0.7 nm. Through this work, we have demonstrated that monoenergetic positron beams are a powerful tool for characterizing capped porous films and the trapping of atoms and molecules by pores.

  11. Propagation and Generation of Electromagnetic Waves at Proton Gyrofrequencies in a Relativistic Electron-Positron Plasma. II. Excitation of Electromagnetic Waves

    NASA Astrophysics Data System (ADS)

    Zheleznyakov, V. V.; Bespalov, P. A.

    2016-04-01

    In part I of this work [1], we study the dispersion characteristics of low-frequency waves in a relativistic electron-positron plasma. In part II, we examine the electromagnetic wave instability in this plasma caused by an admixture of nonrelativistic protons with energy comparable with the energy of relativistic low-mass particles. The instability occurs in the frequency band between the fundamental harmonic of proton gyrofrequency and the fundamental harmonic of relativistic electron gyrofrequency. The results can be used for the interpretation of known observations of the pulsar emissions obtained with a high time and frequency resolution. The considered instability can probably be the initial stage of the microwave radio emission nanoshots typical of the pulsar in the Crab Nebula.

  12. Heat Deposition in Positron Sources for ILC

    SciTech Connect

    Bharadwaj, V.; Pitthan, R.; Sheppard, J.; Vincke, H.; Wang, J.W.; /SLAC

    2006-03-15

    In the International Linear Collider (ILC) positron source, multi-GeV electrons or multi-MeV photons impinge on a metal target to produce the needed positrons in the resulting electromagnetic showers. The incoming beam power is hundreds of kilowatts. Various computer programs -- such as FLUKA or MARS -- can calculate how the incoming beam showers in the target and can track the particle showers through the positron source system. Most of the incoming energy ends up as heat in the various positron source elements. This paper presents results from such calculations and their impact on the design of a positron source for the ILC.

  13. Annealing behaviors of vacancy-type defects near interfaces between metal contacts and GaN probed using a monoenergetic positron beam

    SciTech Connect

    Uedono, Akira Yoshihara, Nakaaki; Fujishima, Tatsuya; Piedra, Daniel; Palacios, Tomás; Ishibashi, Shoji; Sumiya, Masatomo; Laboutin, Oleg; Johnson, Wayne

    2014-08-04

    Vacancy-type defects near interfaces between metal contacts and GaN grown on Si substrates by metal organic chemical vapor deposition have been studied using a monoenergetic positron beam. Measurements of Doppler broadening spectra of the annihilation radiation for Ti-deposited GaN showed that optically active vacancy-type defects were introduced below the Ti/GaN interface after annealing at 800 °C. Charge transition of those defects due to electron capture was observed and was found to correlate with a yellow band in the photoluminescence spectrum. The major defect species was identified as vacancy clusters such as three to five Ga-vacancies coupled with multiple nitrogen-vacancies. The annealing behaviors of vacancy-type defects in Ti-, Ni-, and Pt-deposited GaN were also examined.

  14. Mono-component versus binary isotherm models for Cu(II) and Pb(II) sorption from binary metal solution by the green alga Pithophora oedogonia.

    PubMed

    Kumar, Dhananjay; Singh, Alpana; Gaur, J P

    2008-11-01

    The sorption of Cu(II) and Pb(II) by Pithophora markedly decreased as the concentration of the secondary metal ion, Cu(II) or Pb(II), increased in the binary metal solution. However, the test alga showed a greater affinity to sorb Cu(II) than Pb(II) from the binary metal solution. Mono-component Freundlich, Langmuir, Redlich-Peterson and Sips isotherms successfully predicted the sorption of Cu(II) and Pb(II) from both single and binary metal solutions. None of the tested binary sorption isotherms could realistically predict Cu(II) and Pb(II) sorption capacity and affinity of the test alga for the binary metal solutions of varying composition, which mono-component isotherms could very well accomplish. Hence, mono-component isotherm modeling at different concentrations of the secondary metal ion seems to be a better option than binary isotherms for metal sorption from binary metal solution.

  15. Positron emission tomography-based boron neutron capture therapy using boronophenylalanine for high-grade gliomas: part II.

    PubMed

    Imahori, Y; Ueda, S; Ohmori, Y; Sakae, K; Kusuki, T; Kobayashi, T; Takagaki, M; Ono, K; Ido, T; Fujii, R

    1998-08-01

    Based on pharmacokinetic findings of fluorine-18-labeled L-fluoroboronophenylalanine by positron emission tomography (PET), methods for estimating tumor 10B concentration were devised. In clinical practice of boron neutron capture therapy (BNCT) for high-grade gliomas, a large amount of L-boronophenylalanine (L-10B-BPA)-fructose solution is used. Under these conditions, a slow i.v. infusion of L-10B-BPA-fructose solution should be performed for BNCT; therefore, the changes over time in 10B concentration in the target tissue were estimated by convoluting the actual time course of changes in plasma 10B concentration with a PET-based weight function including the proper rate constants [K1 (ml/g/min), k2 (min(-1)), k3 (min(-1)), and k4 (min(-1))]. With this method, the estimated values of 10B concentration in gliomas were very close to the 10B levels in surgical specimens. This demonstrated the similarity in pharmacokinetics between fluorine-18-labeled L-fluoroboronophenylalanine and L-10B-BPA. This method, using the appropriate rate constant, permits the determination of tumor 10B concentration and is widely suitable for clinical BNCT, because the averaged PET data are enough to use in future patients without individual PET study.

  16. Photophysical investigation of palladium(II) ortho-metalated complexes

    SciTech Connect

    Craig, C.A.; Watts, R.J. )

    1989-01-25

    Syntheses and structural characterizations of four complexes of Pd(II) with ortho-metalated 2-phenylpyridinate (ppy{sup minus}) are reported. These complexes include a parent dimer, (Pd(ppy)Cl){sub 2}, and three derivative monomers, (Pd(ppy)(bpy))Cl, (Pd(ppy)(en))Cl, and (Pd(ppy)(CO)Cl), whereby = 2,2'-bipyridine and en = ethylenediamine. Photophysical characterizations of these species indicate low-energy absorption bands ({approximately}360 nm) and emission bands at 77 K ({approximately}460 nm) that are assigned to transitions located on the ppy{sup {minus}} ligand. Some evidence for low-energy charge-transfer states is found in trends in luminescence lifetimes. 2 tabs., 5 figs., 21 refs.

  17. Positron trapping at grain boundaries

    SciTech Connect

    Dupasquier, A. ); Romero, R.; Somoza, A. )

    1993-10-01

    The standard positron trapping model has often been applied, as a simple approximation, to the interpretation of positron lifetime spectra in situations of diffusion-controlled trapping. This paper shows that this approximation is not sufficiently accurate, and presents a model based on the correct solution of the diffusion equation, in the version appropriate for studying positron trapping at grain boundaries. The model is used for the analysis of new experimental data on positron lifetime spectra in a fine-grained Al-Ca-Zn alloy. Previous results on similar systems are also discussed and reinterpreted. The analysis yields effective diffusion coefficients not far from the values known for the base metals of the alloys.

  18. Ni (II), Cu (II) and Zn (II) Metal Chelates With Some Thiazole Derived Schiff-Bases: Their Synthesis, Characterization and Bactericidal Properties

    PubMed Central

    Chohan, Zahid H.

    1999-01-01

    A number of thiazole derived tridentate Schiff-bases (LH) and its metal chelates of the type [M(L)2X] where M=Ni(II), Cu(II) and Zn(II), L=substituted salicylaldehyde (5-H, 5-CH3, 5-OCH3, 5-NO2 and 5-Cl) and X=CI have been synthesized and characterized with the help of elemental analyses, conductivity measurements, magnetic moments, UV-Vis, IR and NMR spectral data. An octahedral structure for Ni(II) and Zn(II) and a distorted octahedral structure for Cu(II) chelates have been proposed. All the Schiff-bases and their metal chelates have been screened for their biological activity against Escherichia coli, Staphylococcus aureous , Pseudomonas aeruginosa and Klebsiella pneumonae and in comparison, the metal chelates have been shown to possess more antibacterial activity than the uncomplexed Schiff-bases. PMID:18475884

  19. Noninvasive positron emission tomography imaging of cell death using a novel small-molecule probe, (18)F labeled bis(zinc(II)-dipicolylamine) complex.

    PubMed

    Wang, Hongliang; Tang, Xiaolan; Tang, Ganghua; Huang, Tingting; Liang, Xiang; Hu, Kongzhen; Deng, Huaifu; Yi, Chang; Shi, Xinchong; Wu, Kening

    2013-08-01

    The synthetic bis(zinc(II)-dipicolylamine) (DPAZn2) coordination complexes are known to have a high specific and selective affinity to target the exposed phosphatidylserine (PS) on the surface of dead and dying cells. An (18)F-labeled DPAZn2 complex (4-(18)F-Fluoro-benzoyl-bis(zinc(II)-dipicolylamine), (18)F-FB-DPAZn2) as positron emission tomography (PET) tracer was developed and evaluated for in vivo imaging of tumor treated with a chemical agent. The in vitro cell stain studies revealed that fluorescent DPAZn2 complexes (Dansyl-DPAZn2) stained the same cells (apoptotic and necrotic cells) as fluorescein isothiocyanate (FITC) labeled Annexin V (FITC-Annexin V). The radiosynthesis of (18)F-FB-DPAZn2 was achieved through the amidation the precursor bis(2,2'-dipicolylamine) derivative (DPA2) with the prosthetic group N-succinimidyl-4-[(18)F]-fluorobenzoate ((18)F-SFB) and chelation with zinc nitrate. In the biodistribution study, the fast clearance of (18)F-FB-DPAZn2 from blood and kidney was observed and high uptake in liver and intestine within 90 min postinjection was also found. For the PET imaging, significantly higher tumor uptake of (18)F-FB-DPAZn2 was observed in the adriamycin (ADM)-treated Hepa1-6 hepatocellular carcinoma-bearing mice than that in the untreated tumor-model mice, while a slightly decreased tumor uptake of (18)F-FDG was found in the ADM-treated tumor-bearing mice. The results indicate that (18)F-FB-DPAZn2 has the similar capability of apoptosis detection as FITC-Annexin V and seems to be a potential PET tracer for noninvasive evaluation and monitoring of anti-tumor chemotherapy. The high uptake of (18)F-FB-DPAZn2 in the abdomen needs to optimize the structure for improving its pharmacokinetics characteristics in the future work.

  20. Molecular cloning, sequencing, and expression analysis of cDNA encoding metalloprotein II (MP II) induced by single and combined metals (Cu(II), Cd(II)) in polychaeta Perinereis aibuhitensis.

    PubMed

    Yang, Dazuo; Zhou, Yibing; Zhao, Huan; Zhou, Xiaoxiao; Sun, Na; Wang, Bin; Yuan, Xiutang

    2012-11-01

    We amplified and analyzed the complete cDNA of metalloprotein II (MP II) from the somatic muscle of the polychaete Perinereis aibuhitensis, the full length cDNA is 904 bp encoding 119 amino acids. The MP II cDNA sequence was subjected to BLAST searching in NCBI and was found to share high homology with hemerythrin of other worms. MP II expression of P. aibuhitensis exposed to single and combined metals (Cu(II), Cd(II)) was analyzed using real time-PCR. MP II mRNA expression increased at the start of Cu(II) exposure, then decreased and finally return to the normal level. Expression pattern of MP II under Cd(II) exposure was time- and dose-dependent. MP II expression induced by a combination of Cd(II) and Cu(II) was similar to that induced by Cd(II) alone.

  1. Multiple Metal Binding Domains Enhance the Zn(II) Selectivity of the Divalent Metal Ion Transporter AztA

    SciTech Connect

    Liu, T.; Reyes-Caballero, H.; Li, C.; Scott, R.A.; Giedroc, D.P.

    2009-06-03

    Transition metal-transporting P{sub 1B}-type CPx ATPases play crucial roles in mediating metal homeostasis and resistance in all cells. The degree to which N-terminal metal binding domains (MBDs) confer metal specificity to the transporter is unclear. We show that the two MBDs of the Zn/Cd/Pb effluxing pump Anabaena AztA are functionally nonequivalent, but only with respect to zinc resistance. Inactivation of the a-MBD largely abrogates resistance to high intracellular Zn(II) levels, whereas inactivation of the b-MBD is not as deleterious. In contrast, inactivation of either the a- or b-MBD has little measurable impact on Cd(II) and Pb(II) resistance. The membrane proximal b-MBD binds Zn(II) with a higher affinity than the distal N-terminal a-MBD. Facile Zn(II)-specific intermolecular transfer from the a-MBD to the higher-affinity b-MBD is readily observed by {sup 1}H-{sup 15}N HSQC spectroscopy. Unlike Zn(II), Cd(II) and Pb(II) form saturated 1:1 S{sub 4} or S{sub 3}(O/N) complexes with AztA{sup aHbH}, where a single metal ion bridges the two MBDs. We propose that the tandem MBDs enhance Zn(II)-specific transport, while stabilizing a non-native inter-MBD Cd/Pb cross-linked structure that is a poor substrate and/or regulator for the transporter.

  2. Spectroscopy of the Ca II Line in Metal-Poor Field Red Giants. II. Northern Hemisphere Observations

    NASA Astrophysics Data System (ADS)

    Dupree, A. K.; Smith, Graeme H.

    1995-07-01

    Echelle spectra of the Ca II K line (λ3933.7) for a sample of 53 metal-deficient field giants, including first-ascent red giant branch stars and asymptotic giant branch stars, demonstrate that chromospheres are ubiquitous among these objects. The atmospheres of the metal-deficient giants are found to be quite dynamic; motions in the deeper regions of the chromosphere appear to be irregular, and evidence for both outflows and infall has been found. An absolute magnitude of MV≍-1.7 corresponds to a critical brightness for metal-deficient giants; as stars evolve beyond this magnitude the atmospheric structure and dynamics affecting the Hα and Ca II K profiles undergo a change. Metal-poor giants brighter than this magnitude exhibit evidence of systematic outflows. However, no circumstellar component is seen in any of the spectra of the Ca II K line acquired in this project. The winds of bright Population II red giants are inferred to be hotter than those of Population I giants. The classic Wilson-Bappu effect is found to depend on metal abundance.

  3. The NLC positron source

    SciTech Connect

    Tang, H.; Kulikov, A.V.; Clendenin, J.E.; Ecklund, S.D.; Miller, R.A.

    1995-05-01

    A baseline design for the NLC positron source based on the existing SLC positron system is described. The proposed NLC source consists of a dedicated S-band electron accelerator, a conventional positron production and capture system utilizing a high Z target and an adiabatic matching device, and an L-band positron linac. The invariant transverse acceptance of the capture system is 0.06 m{center_dot}rad, ensuring an adequate positron beam intensity for the NLC.

  4. Five coordinate M(II)-diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff base complexes exhibiting metal- and ligand-based redox chemistry.

    PubMed

    Franks, Mark; Gadzhieva, Anastasia; Ghandhi, Laura; Murrell, David; Blake, Alexander J; Davies, E Stephen; Lewis, William; Moro, Fabrizio; McMaster, Jonathan; Schröder, Martin

    2013-01-18

    Five-coordinate Zn(II), Ni(II), and Cu(II) complexes containing pentadentate N(3)O(2) Schiff base ligands [1A](2-) and [1B](2-) have been synthesized and characterized. X-ray crystallographic studies reveal five coordinate structures in which each metal ion is bound by two imine N-donors, two phenolate O-donors, and a single amine N-donor. Electron paramagnetic resonance (EPR) spectroscopic studies suggest that the N(3)O(2) coordination spheres of [Cu(1A)] and [Cu(1B)] are retained in CH(2)Cl(2) solution and solid-state superconducting quantum interference device (SQUID) magnetometric studies confirm that [Ni(1A)] and [Ni(1B)] adopt high spin (S = 1) configurations. Each complex exhibits two reversible oxidation processes between +0.05 and +0.64 V vs [Fc](+)/[Fc]. The products of one- and two-electron oxidations have been studied by UV/vis spectroelectrochemistry and by EPR spectroscopy which confirm that each oxidation process for the Zn(II) and Cu(II) complexes is ligand-based with sequential formation of mono- and bis-phenoxyl radical species. In contrast, the one-electron oxidation of the Ni(II) complexes generates Ni(III) products. This assignment is supported by spectroelectrochemical and EPR spectroscopic studies, density functional theory (DFT) calculations, and the single crystal X-ray structure of [Ni(1A)][BF(4)] which contains Ni in a five-coordinate distorted trigonal bipyramidal geometry.

  5. Molecular operation of metals into the function and state of photosystem II.

    PubMed

    Gaziyev, Arif; Aliyeva, Samira; Kurbanova, Inna; Ganiyeva, Rena; Bayramova, Sona; Gasanov, Ralphreed

    2011-12-01

    Action sites of different metals in the electron transport reactions of Photosystem II (PS II) evaluated by delayed fluorescence in the ms range (ms DF) and pigment-pigment, pigment-protein and protein-protein interaction states by electrophoretic measurements are presented. The main targets for the metals action were shown to be:(i) Cd(2+), Ni(2+), Co(2+)-Y(z) or CaMn(4)-cluster on the donor site with dependence on pH;(ii) Ni(2+), Co(2+), Zn(2+), Al(3+), Mn(2+) between Q(A) and Q(B) on the acceptor site; effect of Al(3+) and Mn(2+) is observed only in acidic pH. Investigated metals bring about monomerization of oligomeric and dimeric chlorophyll-protein complexes (CPC) and destabilization of protein-protein interactions. Molecular mechanisms of metals interference with the structure of PS II are discussed.

  6. Docking of ethanamine Schiff base imines & metal (II) complexes, cytotoxicity & DNA interaction studies

    NASA Astrophysics Data System (ADS)

    Sujarani, S.; Ramu, A.

    2015-01-01

    The present study deals with a series of biologically and stereo chemically important novel transition metal (II) Schiff base chelates. The Cu (II), Co (II), Mn (II) and Ni (II) ions containing complexes were synthesized by using diphenylethanamine and 2-hydroxy/2, 4-dihydroxy/2-hydroxy-4-methoxybenzaldehydes. The synthesized complexes were characterized using micro analytical, IR, NMR, ESI-Mass, UV-Visible, cyclic voltammetry and the EPR spectroscopic techniques. The spectral data evidenced the action of ligands as a neutral bidentate Schiff bases, coordinating through azomethine nitrogen and oxygen atom of hydroxyl group. The interaction studies revealed the groove binding nature of complexes with CT-DNA. The ligand and synthesized metal complexes showed cytotoxicity against cancerous cells. The strong binding affinity of the imine and metal complexes was also confirmed by molecular docking studies.

  7. Structure and mode of action of cyclic lipopeptide pseudofactin II with divalent metal ions.

    PubMed

    Janek, Tomasz; Rodrigues, Lígia R; Gudiña, Eduardo J; Czyżnikowska, Żaneta

    2016-10-01

    The interaction of natural lipopeptide pseudofactin II with a series of doubly charged metal cations was examined by matrix-assisted laser-desorption ionization-time of flight (MALDI-TOF) mass spectrometry and molecular modelling. The molecular modelling for metal-pseudofactin II provides information on the metal-peptide binding sites. Overall, Mg(2+), Ca(2+) and Zn(2+) favor the association with oxygen atoms spanning the peptide backbone, whereas Cu(2+) is coordinated by three nitrogens. Circular dichroism (CD) results confirmed that Zn(2+) and Cu(2+) can disrupt the secondary structure of pseudofactin II at high concentrations, while Ca(2+) and Mg(2+) did not essentially affect the structure of the lipopeptide. Interestingly, our results showed that the addition of Zn(2+) and Cu(2+) helped smaller micelles to form larger micellar aggregates. Since pseudofactin II binds metals, we tested whether this phenomena was somehow related to its antimicrobial activity against Staphylococcus epidermidis and Proteus mirabilis. We found that the antimicrobial effect of pseudofactin II was increased by supplementation of culture media with all tested divalent metal ions. Finally, by using Gram-positive and Gram-negative bacteria we showed that the higher antimicrobial activity of metal complexes of pseudofactin II is attributed to the disruption of the cytoplasmic membrane. PMID:27416562

  8. Sculpture, Metallic Formations II, Art Education: 6683.12b.

    ERIC Educational Resources Information Center

    Dubocq, Edward R.

    An exploratory course in the creation of shapes using a variety of metals and techniques is described in this guide for quinmester elective course for grades 7-12. Students cut, form, weld, rivet, cast and finish such metals as steel, copper, aluminum, brass, pewter, and bronze. They develop a working knowledge of the various tools and processes,…

  9. General Metal Trades. Book II. Units of Instruction. Teacher's Guide.

    ERIC Educational Resources Information Center

    Hohhertz, Durwin

    This teacher's guide was developed to aid in presenting units on general metal trades to students in Texas. The units are intended to provide students with basic knowledge and skills for each area of instruction in the general metal trades, and with the basic entry-level skills they will need to have in order to enter industry as trained workers.…

  10. Role of transition metal ferrocyanides (II) in chemical evolution

    NASA Astrophysics Data System (ADS)

    Kamaluddin; Nath, Mala; Deopujari, Sushama W.; Sharma, Archana

    1990-05-01

    Due to ease of formation of cyanide under prebiotic conditions, cyanide ion might have formed stable complexes with transition metal ions on the primitive earth. In the course of chemical evolution insoluble metal cyano complexes, which settled at the bottom of primeval sea could have formed peptide and metal amino acid complexes through adsorption processes of amino acids onto these metal cyano complexes. Adsorption of amino acids such as glycine, aspartic acid, and histidine on copper ferrocyanide and zinc ferrocyanide have been studied over a wide pH range of 3.6 8.5. Amino acids were adsorbed on the metal ferrocyanide complexes for different time periods. The progress of the adsorption was followed spectro-photometrically using ninhydrin reagent. Histidine was found to show maximum adsorption on both the adsorbents at neutral pH. Zinc ferrocyanide exhibits good sorption behaviour for all the three amino acids used in these investigations.

  11. Effect of biofilm coatings at metal-oxide/water interfaces II: Competitive sorption between Pb(II) and Zn(II) at Shewanella oneidensis/metal-oxide/water interfaces

    NASA Astrophysics Data System (ADS)

    Wang, Yingge; Gélabert, Alexandre; Michel, F. Marc; Choi, Yongseong; Eng, Peter J.; Spormann, Alfred M.; Brown, Gordon E.

    2016-09-01

    Competitive sorption of Pb(II) and Zn(II) on Shewanella oneidensis MR-1 biofilm-coated single-crystal α-Al2O3 (1 -1 0 2) and α-Fe2O3 (0 0 0 1) surfaces was investigated using long-period X-ray standing wave-florescence yield (LP-XSW-FY) spectroscopy. In situ partitioning of aqueous Pb(II) and Zn(II) between the biofilms and underlying metal-oxide substrates was probed following exposure of these complex interfaces to equi-molar Pb and Zn solutions (0.01 M NaNO3 as background electrolyte, pH = 6.0, and 3-h equilibration time). At higher Pb and Zn concentrations (⩾10-5 M), more than 99% of these ions partitioned into the biofilms at S. oneidensis/α-Al2O3 (1 -1 0 2)/water interfaces, which is consistent with the partitioning behavior of both Pb(II) or Zn(II) in single-metal-ion experiments. Thus, no apparent competitive effects were found in this system at these relatively high metal-ion concentrations. However, at lower equi-molar concentrations (⩽10-6 M), Pb(II) and Zn(II) partitioning in the same system changed significantly compared to the single-metal-ion systems. The presence of Zn(II) decreased Pb(II) partitioning onto α-Al2O3 (1 -1 0 2) substantially (∼52% to ∼13% at 10-7 M, and ∼23% to ∼5% at 10-6 M), whereas the presence of Pb(II) caused more Zn(II) to partition onto α-Al2O3 (1 -1 0 2) surfaces (∼15% to ∼28% at 10-7 M, and ∼1% to ∼7% at 10-6 M). The higher observed partitioning of Zn(II) (∼28%) at the α-Al2O3 (1 -1 0 2) surfaces compared to Pb(II) (∼13%) in the mixed-metal-ion systems at the lowest concentration (10-7 M) suggests that Zn(II) is slightly favored over Pb(II) for sorption sites on α-Al2O3 (1 -1 0 2) surfaces under our experimental conditions. Competitive sorption of Pb(II) and Zn(II) at S. oneidensis/α-Fe2O3 (0 0 0 1)/water interfaces at equi-molar metal-ion concentrations of ⩽10-6 M showed that the presence of Pb(II) ions decreased Zn(II) partitioning onto α-Fe2O3 (0 0 0 1) significantly (∼45% to <1% at 10

  12. Removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution using rice husk-based activated carbon

    SciTech Connect

    Taha, Mohd F. Shaharun, Maizatul S.; Shuib, Anis Suhaila Borhan, Azry

    2014-10-24

    An attempt was made to investigate the potential of rice husk-based activated carbon as an alternative low-cost adsorbent for the removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Rice husk-based activated carbon was prepared via treatment of rice husk with NaOH followed by the carbonization process at 400°C for 2 hours. Three samples, i.e. raw rice husk, rice husk treated with NaOH and rice husk-based activated carbon, were analyzed for their morphological characteristics using field-emission scanning electron microscope/energy dispersive X-ray (FESEM/EDX). These samples were also analyzed for their carbon, hydrogen, nitrogen, oxygen and silica contents using CHN elemental analyzer and FESEM/EDX. The porous properties of rice husk-based activated carbon were determined by Brunauer-Emmett-Teller (BET) surface area analyzer, and its surface area and pore volume were 255 m{sup 2}/g and 0.17 cm{sup 2}/g, respectively. The adsorption studies for the removal of Ni(II), Zn(II) and Pb(II) ions from single metal aqueous solution were carried out at a fixed initial concentration of metal ion (150 ppm) with variation amount of adsorbent (rice husk-based activated carbon) as a function of varied contact time at room temperature. The concentration of each metal ion was analyzed using atomic absorption spectrophotometer (AAS). The results obtained from adsorption studies indicate the potential of rice husk as an economically promising precursor for the preparation of activated carbon for removal of Ni(II), Zn(II) and Pb(II) ions from single aqueous solution. Isotherm and kinetic model analyses suggested that the experimental data of adsorption studies fitted well with Langmuir, Freundlich and second-order kinetic models.

  13. Type Ia and II Supernovae Contributions to Metal Enrichment in the Intracluster Medium Observed with Suzaku

    NASA Astrophysics Data System (ADS)

    Sato, Kosuke; Tokoi, Kazuyo; Matsushita, Kyoko; Ishisaki, Yoshitaka; Yamasaki, Noriko Y.; Ishida, Manabu; Ohashi, Takaya

    2007-09-01

    We studied the properties of the intracluster medium (ICM) in two clusters of galaxies (AWM 7 and Abell 1060) and two groups (HCG 62 and NGC 507) with the X-ray observatory Suzaku. Based on spatially resolved energy spectra, we measured for the first time precise cumulative ICM metal masses within 0.1 and ~0.3r180. Comparing our results with supernova nucleosynthesis models, the number ratio of Type II (SNe II) to Type Ia (SNe Ia) is estimated to be ~3.5, assuming the metal mass in the ICM is represented by the sum of products synthesized in SNe Ia and SNe II. Normalized by the K-band luminosities of present galaxies, and including the metals in stars, the integrated number of past SN II explosions is estimated to be close to or somewhat higher than the star formation rate determined from Hubble Deep Field observations.

  14. Beryllium metal II. a review of the available toxicity data.

    PubMed

    Strupp, Christian

    2011-01-01

    Beryllium metal was classified in Europe collectively with beryllium compounds, e.g. soluble salts. Toxicological equivalence was assumed despite greatly differing physicochemical properties. Following introduction of the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, beryllium metal was classified as individual substance and more investigational efforts to appropriately characterize beryllium metal as a specific substance apart from soluble beryllium compounds was required. A literature search on toxicity of beryllium metal was conducted, and the resulting literature compiled together with the results of a recently performed study package into a comprehensive data set. Testing performed under Organisation for Economic Co-Operation and Development guidelines and Good Laboratory Practice concluded that beryllium metal was neither a skin irritant, an eye irritant, a skin sensitizer nor evoked any clinical signs of acute oral toxicity; discrepancies between the current legal classification of beryllium metal in the European Union (EU) and the experimental results were identified. Furthermore, genotoxicity and carcinogenicity were discussed in the context of the literature data and the new experimental data. It was concluded that beryllium metal is unlikely to be a classical nonthreshold mutagen. Effects on DNA repair and morphological cell transformation were observed but need further investigation to evaluate their relevance in vivo. Animal carcinogenicity studies deliver evidence of carcinogenicity in the rat; however, lung overload may be a species-specific confounding factor in the existing studies, and studies in other species do not give convincing evidence of carcinogenicity. Epidemiology has been intensively discussed over the last years and has the problem that the studies base on the same US beryllium production population and do not distinguish between metal and soluble compounds. It is noted that the correlation

  15. Beryllium Metal II. A Review of the Available Toxicity Data

    PubMed Central

    Strupp, Christian

    2011-01-01

    Beryllium metal was classified in Europe collectively with beryllium compounds, e.g. soluble salts. Toxicological equivalence was assumed despite greatly differing physicochemical properties. Following introduction of the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, beryllium metal was classified as individual substance and more investigational efforts to appropriately characterize beryllium metal as a specific substance apart from soluble beryllium compounds was required. A literature search on toxicity of beryllium metal was conducted, and the resulting literature compiled together with the results of a recently performed study package into a comprehensive data set. Testing performed under Organisation for Economic Co-Operation and Development guidelines and Good Laboratory Practice concluded that beryllium metal was neither a skin irritant, an eye irritant, a skin sensitizer nor evoked any clinical signs of acute oral toxicity; discrepancies between the current legal classification of beryllium metal in the European Union (EU) and the experimental results were identified. Furthermore, genotoxicity and carcinogenicity were discussed in the context of the literature data and the new experimental data. It was concluded that beryllium metal is unlikely to be a classical nonthreshold mutagen. Effects on DNA repair and morphological cell transformation were observed but need further investigation to evaluate their relevance in vivo. Animal carcinogenicity studies deliver evidence of carcinogenicity in the rat; however, lung overload may be a species-specific confounding factor in the existing studies, and studies in other species do not give convincing evidence of carcinogenicity. Epidemiology has been intensively discussed over the last years and has the problem that the studies base on the same US beryllium production population and do not distinguish between metal and soluble compounds. It is noted that the correlation

  16. Texas Intense Positron Source (TIPS)

    NASA Astrophysics Data System (ADS)

    O'Kelly, D.

    2003-03-01

    The Texas Intense Positron Source (TIPS) is a state of the art variable energy positron beam under construction at the Nuclear Engineering Teaching Laboratory (NETL). Projected intensities on the order of the order of 10^7 e+/second using ^64Cu as the positron source are expected. Owing to is short half-life (t1/2 12.8 hrs), plans are to produce the ^64Cu isotope on-site using beam port 1 of NETL TRIGA Mark II reactor. Following tungsten moderation, the positrons will be electrostatically focused and accelerated from few 10's of eV up to 30 keV. This intensity and energy range should allow routine performance of several analytical techniques of interest to surface scientists (PALS, PADB and perhaps PAES and LEPD.) The TIPS project is being developed in parallel phases. Phase I of the project entails construction of the vacuum system, source chamber, main beam line, electrostatic/magnetic focusing and transport system as well as moderator design. Initial construction, testing and characterization of moderator and beam transport elements are underway and will use a commercially available 10 mCi ^22Na radioisotope as a source of positrons. Phase II of the project is concerned primarily with the Cu source geometry and thermal properties as well as production and physical handling of the radioisotope. Additional instrument optimizing based upon experience gained during Phase I will be incorporated in the final design. Current progress of both phases will be presented along with motivations and future directions.

  17. Relativistic Configuration Interaction calculations of the atomic properties of selected transition metal positive ions; Ni II, V II and W II

    NASA Astrophysics Data System (ADS)

    Abdalmoneam, Marwa Hefny

    Relativistic Configuration Interaction (RCI) method has been used to investigate atomic properties of the singly ionized transition metals including Nickel (Ni II), Vanadium (V II), and Tungsten (W II). The methodology of RCI computations was also improved. Specifically, the method to shift the energy diagonal matrix of the reference configurations was modified which facilitated including the effects of many electronic configurations that used to be difficult to be included in the energy matrix and speeded-up the final calculations of the bound and continuum energy spectrum. RCI results were obtained for three different cases: i. Atomic moments and polarizabilities of Ni II; ii. Hyperfine structure constants of V II; iii. Lifetime, Lande g-values, and Oscillator strength of W II. Four atomic quantities of Ni II were calculated; scalar dipole polarizability, off-diagonal electric dipole polarizability, non-adiabatic scalar dipole polarizability, and quadrupole polarizability of Ni II. These quantities appear as effective parameters in an effective potential model. These quantities are computed for the first time. The two hyperfine structure (HFS) constants ; magnetic dipole interaction constant, A, and the electric quadrupole interaction constant, B, have been calculated for the V II 3d4, 3d3 4s, and 3d 2 4s2 J=1 to 5 even parity states . Analysis of the results shows the sum of HFS A of nearby energy levels to be conserved. The Lande g-value and the vector composition percentages for all the wavefunctions of those configurations have also been calculated. RCI results are in good agreement with most of the available experimental data. Lifetimes of 175 decay branches in W II have been calculated. Also, Lande g-values have been calculated for all measured W II odd parity levels J=1/2-11/2. The RCI oscillator strengths and branching fraction values of the lowest 10 energy levels for each odd parity J are presented. The calculated results are only in semi

  18. Design, spectral characterization and biological studies of transition metal(II) complexes with triazole Schiff bases

    NASA Astrophysics Data System (ADS)

    Hanif, Muhammad; Chohan, Zahid H.

    2013-03-01

    A new series of three biologically active triazole derived Schiff base ligands L1-L3 have been synthesized in equimolar reaction of 3-amino-1H-1,2,4-triazole with pyrrol-2-carboxaldehyde, 4-bromo-thiophene-2-carboxaldehyde, and 5-iodo-2-hydroxy benzaldehyde. The prepared Schiff bases were used for further complex formation reaction with different metal elements like Co(II), Ni(II), Cu(II) and Zn(II) as chlorides by using a molar ratio of ligand:metal as 2:1. The structure and bonding nature of all the compounds were identified by their physical, spectral and analytical data. All the metal(II) complexes possessed an octahedral geometry except the Cu(II) complexes which showed a distorted octahedral geometry. All the synthesized compounds, were studied for their in vitro antibacterial, and antifungal activities, against four Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and against six fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) by using agar-well diffusion method. It has been shown that all the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. In vitro Brine Shrimp bioassay was also carried out to investigate the cytotoxic properties of these compounds. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination.

  19. Design, spectral characterization and biological studies of transition metal(II) complexes with triazole Schiff bases.

    PubMed

    Hanif, Muhammad; Chohan, Zahid H

    2013-03-01

    A new series of three biologically active triazole derived Schiff base ligands L(1)-L(3) have been synthesized in equimolar reaction of 3-amino-1H-1,2,4-triazole with pyrrol-2-carboxaldehyde, 4-bromo-thiophene-2-carboxaldehyde, and 5-iodo-2-hydroxy benzaldehyde. The prepared Schiff bases were used for further complex formation reaction with different metal elements like Co(II), Ni(II), Cu(II) and Zn(II) as chlorides by using a molar ratio of ligand:metal as 2:1. The structure and bonding nature of all the compounds were identified by their physical, spectral and analytical data. All the metal(II) complexes possessed an octahedral geometry except the Cu(II) complexes which showed a distorted octahedral geometry. All the synthesized compounds, were studied for their in vitro antibacterial, and antifungal activities, against four Gram-negative (Escherichia coli, Shigella sonnei, Pseudomonas aeruginosa and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and against six fungal strains (Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani and Candida glabrata) by using agar-well diffusion method. It has been shown that all the synthesized compounds showed moderate to significant antibacterial activity against one or more bacterial strains. In vitro Brine Shrimp bioassay was also carried out to investigate the cytotoxic properties of these compounds. The data also revealed that the metal complexes showed better activity than the ligands due to chelation/coordination. PMID:23277183

  20. Thermal cycling distortion of metal ceramics: Part II--Etiology.

    PubMed

    Campbell, S D; Pelletier, L B

    1992-08-01

    The three-dimensional geometry of conventional fixed prostheses complicates the study of the thermal cycling distortion in metal ceramic alloys. Any explanation of the etiology of thermal cycling distortion in metal ceramic restorations must account for the observed magnitude, timing, and direction of the deformation. The simplified experimental geometry developed in Part I was applied to elucidate the etiologic factors involved in metal ceramic deformation. Techniques to minimize the thermal cycling distortion were also studied. It was found that all of the significant distortion occurred during the first thermal cycling of the alloy (oxidation) and that no distortion resulted from the application of body porcelain. The specimens that were cold worked and then oxidized had significantly more distortion than any other group. A significant reduction in distortion was observed when the initial thermal cycling was completed before the specimens were cold worked. It was determined that the release of casting- and cold working-induced stresses had a synergistic effect. PMID:1501176

  1. Adsorption of Cu(II), Zn(II), Cd(II) and Pb(II) by dead Avena fatua biomass and the effect of these metals on their growth.

    PubMed

    Areco, María Mar; Saleh-Medina, Leila; Trinelli, María Alcira; Marco-Brown, Jose Luis; Dos Santos Afonso, María

    2013-10-01

    The biosorption of copper(II), zinc(II), cadmium(II) and lead(II) from aqueous solutions by dead Avena fatua biomass and the effect of these metals on the growth of this wild oat were investigated. Pseudo-first- and second-order and intra-particle diffusion models were applied to describe the kinetic data and to evaluate the rate constants. The adsorption kinetics of all the metals follows a pseudo-second-order model. The adsorption capacity was determined, and the Freundlich and Langmuir models were applied. The experimental data obtained for all the metals are best described by the Langmuir model. A. fatua was characterized using scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and zeta potential. The results obtained evidence the presence of Zn(II), Cu(II), Cd(II) or Pb(II) on the surface of the weed. The growth of A. fatua was affected by the presence of all metals. The decrease in the growth rate with increasing metal concentration was more noticeable for zinc.

  2. Metal-Based Antibacterial and Antifungal Agents: Synthesis, Characterization, and In Vitro Biological Evaluation of Co(II), Cu(II), Ni(II), and Zn(II) Complexes With Amino Acid-Derived Compounds

    PubMed Central

    Chohan, Zahid H.; Arif, M.; Akhtar, Muhammad A.; Supuran, Claudiu T.

    2006-01-01

    A series of antibacterial and antifungal amino acid-derived compounds and their cobalt(II), copper(II), nickel(II), and zinc(II) metal complexes have been synthesized and characterized by their elemental analyses, molar conductances, magnetic moments, and IR, and electronic spectral measurements. Ligands (L1)−(L5) were derived by condensation of β-diketones with glycine, phenylalanine, valine, and histidine and act as bidentate towards metal ions (cobalt, copper, nickel, and zinc) via the azomethine-N and deprotonated-O of the respective amino acid. The stoichiometric reaction between the metal(II) ion and synthesized ligands in molar ratio of M : L (1 : 1) resulted in the formation of the metal complexes of type [M(L)(H2O)4]Cl (where M = Co(II), Cu(II), and Zn(II)) and of M : L (1 : 2) of type [M(L)2(H2O)2] (where M = Co(II), Cu(II), Ni(II), and Zn(II)). The magnetic moment data suggested for the complexes to have an octahedral geometry around the central metal atom. The electronic spectral data also supported the same octahedral geometry of the complexes. Elemental analyses and NMR spectral data of the ligands and their metal(II) complexes agree with their proposed structures. The synthesized ligands, along with their metal(II) complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Shigella flexeneri, Pseudomonas aeruginosa, and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and for in vitro antifungal activity against Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani, and Candida glaberata. The results of these studies show the metal(II) complexes to be more antibacterial/antifungal against one or more species as compared to the uncomplexed ligands. The brine shrimp bioassay was also carried out to study their in vitro cytotoxic properties. Five compounds, (3), (7), (10), (11), and (22), displayed

  3. Metal-Based Antibacterial and Antifungal Agents: Synthesis, Characterization, and In Vitro Biological Evaluation of Co(II), Cu(II), Ni(II), and Zn(II) Complexes With Amino Acid-Derived Compounds.

    PubMed

    Chohan, Zahid H; Arif, M; Akhtar, Muhammad A; Supuran, Claudiu T

    2006-01-01

    A series of antibacterial and antifungal amino acid-derived compounds and their cobalt(II), copper(II), nickel(II), and zinc(II) metal complexes have been synthesized and characterized by their elemental analyses, molar conductances, magnetic moments, and IR, and electronic spectral measurements. Ligands (L(1))-(L(5)) were derived by condensation of beta-diketones with glycine, phenylalanine, valine, and histidine and act as bidentate towards metal ions (cobalt, copper, nickel, and zinc) via the azomethine-N and deprotonated-O of the respective amino acid. The stoichiometric reaction between the metal(II) ion and synthesized ligands in molar ratio of M : L (1 : 1) resulted in the formation of the metal complexes of type [M(L)(H(2)O)(4)]Cl (where M = Co(II), Cu(II), and Zn(II)) and of M : L (1 : 2) of type [M(L)(2)(H(2)O)(2)] (where M = Co(II), Cu(II), Ni(II), and Zn(II)). The magnetic moment data suggested for the complexes to have an octahedral geometry around the central metal atom. The electronic spectral data also supported the same octahedral geometry of the complexes. Elemental analyses and NMR spectral data of the ligands and their metal(II) complexes agree with their proposed structures. The synthesized ligands, along with their metal(II) complexes, were screened for their in vitro antibacterial activity against four Gram-negative (Escherichia coli, Shigella flexeneri, Pseudomonas aeruginosa, and Salmonella typhi) and two Gram-positive (Bacillus subtilis and Staphylococcus aureus) bacterial strains and for in vitro antifungal activity against Trichophyton longifusus, Candida albicans, Aspergillus flavus, Microsporum canis, Fusarium solani, and Candida glaberata. The results of these studies show the metal(II) complexes to be more antibacterial/antifungal against one or more species as compared to the uncomplexed ligands. The brine shrimp bioassay was also carried out to study their in vitro cytotoxic properties. Five compounds, (3), (7), (10), (11), and (22

  4. Stellar Kinematics and Metallicities in the Ultra-faint Dwarf Galaxy Reticulum II

    NASA Astrophysics Data System (ADS)

    Simon, J. D.; Drlica-Wagner, A.; Li, T. S.; Nord, B.; Geha, M.; Bechtol, K.; Balbinot, E.; Buckley-Geer, E.; Lin, H.; Marshall, J.; Santiago, B.; Strigari, L.; Wang, M.; Wechsler, R. H.; Yanny, B.; Abbott, T.; Bauer, A. H.; Bernstein, G. M.; Bertin, E.; Brooks, D.; Burke, D. L.; Capozzi, D.; Carnero Rosell, A.; Carrasco Kind, M.; D'Andrea, C. B.; da Costa, L. N.; DePoy, D. L.; Desai, S.; Diehl, H. T.; Dodelson, S.; Cunha, C. E.; Estrada, J.; Evrard, A. E.; Fausti Neto, A.; Fernandez, E.; Finley, D. A.; Flaugher, B.; Frieman, J.; Gaztanaga, E.; Gerdes, D.; Gruen, D.; Gruendl, R. A.; Honscheid, K.; James, D.; Kent, S.; Kuehn, K.; Kuropatkin, N.; Lahav, O.; Maia, M. A. G.; March, M.; Martini, P.; Miller, C. J.; Miquel, R.; Ogando, R.; Romer, A. K.; Roodman, A.; Rykoff, E. S.; Sako, M.; Sanchez, E.; Schubnell, M.; Sevilla, I.; Smith, R. C.; Soares-Santos, M.; Sobreira, F.; Suchyta, E.; Swanson, M. E. C.; Tarle, G.; Thaler, J.; Tucker, D.; Vikram, V.; Walker, A. R.; Wester, W.; DES Collaboration

    2015-07-01

    We present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity of 62.8+/- 0.5 {km} {{{s}}}-1 and a velocity dispersion of 3.3+/- 0.7 {km} {{{s}}}-1. The mass-to-light ratio of Ret II within its half-light radius is 470+/- 210 {M}⊙ /{L}⊙ , demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 {km} {{{s}}}-1, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with {{[Fe/H]}}\\lt -3. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of {{[Fe/H]}}=-2.65+/- 0.07, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is {{log}}10(J)=18.8+/- 0.6 {GeV}{ }2 {{cm}}-5 within 0.°2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies. Based on data obtained from the ESO Science Archive Facility under request number 157689.

  5. Stellar kinematics and metallicities in the ultra-faint dwarf galaxy Reticulum II

    SciTech Connect

    Simon, J. D.

    2015-07-23

    With this study, we present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity of $62.8\\pm 0.5\\;\\mathrm{km}\\;{{\\rm{s}}}^{-1}$ and a velocity dispersion of $3.3\\pm 0.7\\;\\mathrm{km}\\;{{\\rm{s}}}^{-1}$. The mass-to-light ratio of Ret II within its half-light radius is $470\\pm 210\\ {M}_{\\odot }/{L}_{\\odot }$, demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 $\\mathrm{km}\\ {{\\rm{s}}}^{-1}$, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with ${\\rm{[Fe/H]}}\\lt -3$. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of ${\\rm{[Fe/H]}}=-2.65\\pm 0.07$, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is ${\\mathrm{log}}_{10}(J)=18.8\\pm 0.6\\;\\;\\mathrm{GeV}{\\;}^{2}\\;{\\mathrm{cm}}^{-5}\\;$ within 0fdg2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies.

  6. PREFACE: The International Workshop on Positron Studies of Defects 2014

    NASA Astrophysics Data System (ADS)

    Sugita, Kazuki; Shirai, Yasuharu

    2016-01-01

    The International Workshop on Positron Studies of Defects 2014 (PSD-14) was held in Kyoto, Japan from 14-19 September, 2014. The PSD Workshop brought together positron scientists interested in studying defects to an international platform for presenting and discussing recent results and achievements, including new experimental and theoretical methods in the field. The workshop topics can be characterized as follows: • Positron studies of defects in semiconductors and oxides • Positron studies of defects in metals • New experimental methods and equipment • Theoretical calculations and simulations of momentum distributions, positron lifetimes and other characteristics for defects • Positron studies of defects in combination with complementary methods • Positron beam studies of defects at surfaces, interfaces, in sub-surface regions and thin films • Nanostructures and amorphous materials

  7. The metallomics approach: use of Fe(II) and Cu(II) footprinting to examine metal binding sites on serum albumins.

    PubMed

    Duff, Michael R; Kumar, Challa V

    2009-11-01

    Metal binding to serum albumins is examined by oxidative protein-cleavage chemistry, and relative affinities of multiple metal ions to particular sites on these proteins were identified using a fast and reliable chemical footprinting approach. Fe(ii) and Cu(ii), for example, mediate protein cleavage at their respective binding sites on serum albumins, in the presence of hydrogen peroxide and ascorbate. This metal-mediated protein-cleavge reaction is used to evaluate the binding of metal ions, Na(+), Mg(2+), Ca(2+), Al(3+), Cr(3+), Mn(2+), Co(2+), Ni(2+), Zn(2+), Cd(2+), Hg(2+), Pb(2+), and Ce(3+) to albumins, and the relative affinities (selectivities) of the metal ions are rapidly evaluated by examining the extent of inhibition of protein cleavage. Four distinct systems Fe(II)/BSA, Cu(II)/BSA, Fe(II)/HSA and Cu(II)/HSA are examined using the above strategy. This metallomics approach is novel, even though the cleavage of serum albumins by Fe(II)/Cu(II) has been reported previously by this laboratory and many others. The protein cleavage products were analyzed by SDS PAGE, and the intensities of the product bands quantified to evaluate the extent of inhibition of the cleavage and thereby evaluate the relative binding affinities of specific metal ions to particular sites on albumins. The data show that Co(II) and Cr(III) showed the highest degree of inhibition, across the table, followed by Mn(II) and Ce(III). Alakali metal ions and alkaline earth metal ions showed very poor affinity for these metal sites on albumins. Thus, metal binding profiles for particular sites on proteins can be obtained quickly and accurately, using the metallomics approach.

  8. Adsorption and oxidation of aromatic amines by metal hexacyanoferrates(II).

    PubMed

    Alam, T; Tarannum, H; Ravi Kumar, M N; Kamaluddin

    2000-05-01

    Interaction of aniline, p-toluidine and p-chloroaniline with nickel, cadmium and manganese hexacyanoferrates(II) has been studied. Nickel and cadmium hexacyanoferrates(II) showed maximum adsorption at neutral pH, whereas, manganese hexacyanoferrate(II) reacts with aniline, p-toluidine and p-chloroaniline forming the colored oligomers on its surface. The adsorption data obtained at neutral pH is fitted in Langmuir adsorption isotherm. The adsorption behavior of the studied aromatic amines followed the order: p-toluidine>aniline>p-chloroaniline, which is related to the basicities of the amines. Results of the present study suggest the importance of metal hexacyanoferrates(II) and metal ions in stabilization of aromatic amines during the processes of prebiotic condensation reactions.

  9. Transition Metal(II) Complexes with Cefotaxime-Derived Schiff Base: Synthesis, Characterization, and Antimicrobial Studies

    PubMed Central

    Amzoiu, Emilia; Spînu, Cezar Ionuţ

    2014-01-01

    New [ML2(H2O)2] complexes, where M = Co(II), Ni(II), Cu(II), and Zn(II) while L corresponds to the Schiff base ligand, were synthesized by condensation of cefotaxime with salicylaldehyde in situ in the presence of divalent metal salts in ethanolic medium. The complexes were characterized by elemental analyses, conductance, and magnetic measurements, as well as by IR and UV-Vis spectroscopy. The low values of the molar conductance indicate nonelectrolyte type of complexes. Based on spectral data and magnetic moments, an octahedral geometry may be proposed for Co(II), Ni(II), and Zn(II) complexes while a tetragonal geometry for Cu(II) complex. Molecular structure of the Schiff base ligand and its complexes were studied using programs dedicated to chemical modeling and quantomolecular calculation of chemical properties. All the synthesized complexes were tested for in vitro antibacterial activity against some pathogenic bacterial strains, namely Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus aureus. The MIC values shown by the complexes against these bacterial strains revealed that the metal complexes possess superior antibacterial activity than the Schiff base. PMID:24688454

  10. Luminescence of ortho-metallated platinum(II) complexes

    NASA Astrophysics Data System (ADS)

    Maestri, Mauro; Sandrini, Diana; Balzani, Vincenzo; Chassot, Laurent; Jolliet, Philippe; von Zelewsky, Alex

    1985-12-01

    The absorption spectra, emission spectra, and emission lifetimes of Pt(Phpy) 2, Pt(Thpy) 2, and Pt(Bhq) 2 complexes (Phpy -, Thpy -, and Bhq - are the ortho C-deprotonated forms of 2-phenylpyridine, 2-(2-thienyl)-pyridine, and benzo(h)quinoline) have been studied and compared with those of the C-protonated neutral ligands. For all complexes examined the low-energy absorption bands in the near UV and visible region are assigned to metal-to-ligand charge-transfer transitions. The strong and structured luminescence emissions observed in the 500-600 nm region (lifetime in the microsecond range at 77 K) are assigned to metal-to-ligand charge-transfer excited states.

  11. INTEGRAL FIELD SPECTROSCOPY OF SUPERNOVA EXPLOSION SITES: CONSTRAINING THE MASS AND METALLICITY OF THE PROGENITORS. II. TYPE II-P AND II-L SUPERNOVAE

    SciTech Connect

    Kuncarayakti, Hanindyo; Maeda, Keiichi; Doi, Mamoru; Morokuma, Tomoki; Hashiba, Yasuhito; Aldering, Greg; Arimoto, Nobuo; Pereira, Rui

    2013-08-01

    Thirteen explosion sites of Type II-P and II-L supernovae (SNe) in nearby galaxies have been observed using integral field spectroscopy, enabling both spatial and spectral study of the explosion sites. We used the properties of the parent stellar population of the coeval SN progenitor star to derive its metallicity and initial mass. The spectrum of the parent stellar population yields estimates of metallicity via the strong-line method and age via a comparison with simple stellar population models. These metallicity and age parameters are adopted for the progenitor star. Age, or lifetime of the star, was used to derive the initial (zero-age main sequence) mass of the star using comparisons with stellar evolution models. With this technique, we were able to determine the metallicities and initial masses of the SN progenitors in our sample. Our results indicate that some Type II SN progenitors may have been stars with masses comparable to those of SN Ib/c progenitors.

  12. Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra

    SciTech Connect

    Keates, Adam C.; Wang, Qianlong; Weller, Mark T.

    2014-02-15

    Single crystal and bulk polycrystalline forms of K{sub 2}MP{sub 2}O{sub 7} (M=Fe(II), Cu(II)) have been synthesised and their structures determined from single crystal X-ray diffraction data. Both compounds crystallize in the tetragonal system, space group P-42{sub 1}m. Their structures are formed from infinite sheets of linked oxopolyhedra of the stoichiometry [MP{sub 2}O{sub 7}]{sup 2−} with potassium cations situated between the layers. The MO{sub 4} tetrahedra share oxygen atoms with [P{sub 2}O{sub 7}]{sup 4−} diphosphate groups and the potassium ions have KO{sub 8} square prismatic geometry. In both compounds the M(II) centre has an unusual strongly flattened, tetrahedral coordination to oxygen, as a result of the Jahn–Teller (JT) effect for the high spin d{sup 6} Fe(II) and p-orbital mixing or a second order JT effect for d{sup 9} Cu(II) centres in four fold coordination. The uncommon transition metal ion environments found in these materials are reflected in their optical absorption spectra and magnetism data. - Graphical abstract: The structures of the tetragonal polymorphs of K{sub 2}MP{sub 2}O{sub 7}, M=Cu(II), Fe(II), consist of infinite sheets of stoichiometry [MP{sub 2}O{sub 7}]{sup 2−}, formed from linked pyrophosphate groups and MO{sub 4} tetrahedra, separated by potassium ions. In both compounds the unusual tetrahedral coordination of the M(II) centre is strongly flattened as a result of Jahn–Teller (JT) effects for high spin, d{sup 6} Fe(II) and p-orbital mixing and second-order JT effects for d{sup 9} Cu(II). Display Omitted - Highlights: • Tetrahedral copper and iron(II) coordinated by oxygen. • New layered phosphate structure. • Jahn–Teller and d{sup 10} distorted coordinations.

  13. Self-assembled biomimetic nanoreactors II: Noble metal active centers

    NASA Astrophysics Data System (ADS)

    McTaggart, Matt; Malardier-Jugroot, Cecile; Jugroot, Manish

    2015-09-01

    The structure and stability of polymer-metal nanoreactors is detailed, including a complete characterization of the first successful synthesis of stable, dispersible, atomically thin gold nanosheets. Further developments in the synthesis of monodisperse, ∼2.5 nm platinum nanoclusters in aqueous solution and ambient conditions are described and pH stability of the composite material is established. The facile nanoreactor synthesis, environmentally friendly reaction conditions, and structural stability makes these biomimetic systems attractive for applications ranging from chemical detoxification to nanoelectronics.

  14. Oligomerization of glycine and alanine on metal(II) octacynaomolybdate(IV): role of double metal cyanides in prebiotic chemistry.

    PubMed

    Kumar, Anand; Kamaluddin

    2012-12-01

    Condensation reactions of amino acid (glycine and alanine) on the surface of metal(II) octacyanomolybdate(IV) (MOCMo) complexes are investigated using high-performance liquid chromatography (HPLC) and electron spray ionizations-mass spectroscopy (ESI-MS). The series of MOCMo have been synthesized and the effect of outer sphere metal ions present in the MOCMo on the oligomerization of glycine and alanine at different temperature and time found out. Formation of peptides was observed to start after 7 days at 60 °C. Maximum yield of peptides was found after 35 days at 90 °C. It has been found that zinc(II) octacyanomolybdate(IV) and cobalt(II) were the most effective metal cations present in outer sphere of the MOCMo for the production of high yield of oligomerized products. Surface area of MOCMo seems to play dominating parameter for the oligomerization of alanine and glycine. The results of the present study reveal the role of MOCMo in chemical evolution for the oligomerization of biomolecules.

  15. Triangulum II: A Very Metal-poor and Dynamically Hot Stellar System

    NASA Astrophysics Data System (ADS)

    Martin, Nicolas F.; Ibata, Rodrigo A.; Collins, Michelle L. M.; Rich, R. Michael; Bell, Eric F.; Ferguson, Annette M. N.; Laevens, Benjamin P. M.; Rix, Hans-Walter; Chapman, Scott C.; Koch, Andreas

    2016-02-01

    We present a study of the recently discovered compact stellar system Triangulum II. From observations conducted with the DEIMOS spectrograph on Keck II, we obtained spectra for 13 member stars that follow the CMD features of this very faint stellar system and include two bright red giant branch stars. Tri II has a very negative radial velocity (< {v}{{r}}> =-{383.7}-3.3+3.0 {km} {{{s}}}-1) that translates to < {v}{{r},{gsr}}> ≃ -264 {km} {{{s}}}-1 and confirms it is a Milky Way satellite. We show that, despite the small data set, there is evidence that Tri II has complex internal kinematics. Its radial velocity dispersion increases from {4.4}-2.0+2.8 {km} {{{s}}}-1 in the central 2\\prime to {14.1}-4.2+5.8 {km} {{{s}}}-1 outwards. The velocity dispersion of the full sample is inferred to be {σ }{vr}={9.9}-2.2+3.2 {km} {{{s}}}-1. From the two bright RGB member stars we measure an average metallicity < {{[Fe/H]}}> =-2.6+/- 0.2, placing Tri II among the most metal-poor Milky Way dwarf galaxies. In addition, the spectra of the fainter member stars exhibit differences in their line widths that could be the indication of a metallicity dispersion in the system. All these properties paint a complex picture for Tri II, whose nature and current state are largely speculative. The inferred metallicity properties of the system however lead us to favor a scenario in which Tri II is a dwarf galaxy that is either disrupting or embedded in a stellar stream.

  16. Physicochemical impact studies of gamma rays on "aspirin" analgesics drug and its metal complexes in solid form: Synthesis, spectroscopic and biological assessment of Ca(II), Mg(II), Sr(II) and Ba(II) aspirinate complexes

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.; Sharshar, T.; Elsabawy, Khaled M.; Heiba, Zein K.

    2013-09-01

    Metal aspirinate complexes, M2(Asp)4, where M is Mg(II), Ca(II), Sr(II) or Ba(II) are formed by refluxed of aspirin (Asp) with divalent non-transition metal ions of group (II) and characterized by elemental analysis and spectroscopic measurements (infrared, electronic, 1H NMR, Raman, X-ray powder diffraction and scanning electron microscopy). Elemental analysis of the chelates suggests the stoichiometry is 1:2 (metal:ligand). Infrared spectra of the complexes agree with the coordination to the central metal atom through three donation sites of two oxygen atoms of bridge bidentate carboxylate group and oxygen atom of sbnd Cdbnd O of acetyl group. Infrared spectra coupled with the results of elemental analyzes suggested a distorted octahedral structure for the M(II) aspirinate complexes. Gamma irradiation was tested as a method for stabilization of aspirin as well as their complexes. The effect of gamma irradiation, with dose of 80 Gy, on the properties of aspirinate complexes was studied. The aspirinate chelates have been screened for their in vitro antibacterial activity against four bacteria, gram-positive (Bacillus subtilis and Staphylococcus aureus) and gram-negative (Escherichia coli and Pseudomonas aeruginosa) and two strains of fungus (Aspergillus flavus and Candida albicans). The metal chelates were shown to possess more antibacterial activity than the free aspirin chelate.

  17. Sorption behavior of Pb(II) and Cd(II) on iron ore slime and characterization of metal ion loaded sorbent.

    PubMed

    Mohapatra, M; Rout, K; Mohapatra, B K; Anand, S

    2009-07-30

    The present investigation evaluates the sorption effectiveness of Pb(II) and Cd(II) ions on iron ore slime (IOS) obtained from Jindal Steel Ltd., Vijayanagaram, India. The sorption followed pseudo-second-order kinetics for both the cations. Pb(II) and Cd(II) sorption increased with the increase in pH from 2 to 4.5. The sorption data fitted well to Freundlich model as compared to Langmuir model. Synergistic effect of Pb(II) and Cd(II) on their sorption on IOS sample showed that Pb(II) sorption increases in presence of Cd(II) whereas Cd(II) sorption decreases. Presence of chloride or sulphate resulted in increased Pb(II) sorption but adversely affected Cd(II) sorption. The XRD patterns of Pb(II) adsorbed on IOS sample showed disappearance of some silica peaks and shifting of hematite peaks corresponding to 104 and 110 plane. For Cd(II) sorbed IOS sample, only peak shift for hematite of 104 and 110 plane was observed. Shifting of IR bands indicated that the Pb(II) sorption occurred through an inner sphere mechanism where as Cd(II) sorption occurred through outer sphere mechanism. EPMA studies showed that Pb(II) form a uniform thin layer and Cd(II) concentrate only on iron oxide phase. Regeneration and stability data on metal ion loaded IOS sample has been included.

  18. Influences of Mn(II) and V(IV) on Bacterial Surface Chemistry and Metal Reactivity

    NASA Astrophysics Data System (ADS)

    French, S.; Fakra, S.; Glasauer, S.

    2009-05-01

    Microorganisms in terrestrial and marine environments are typically bathed in solutions that contain a range of metal ions, toxic and beneficial. Bacteria such as Shewanella putrefaciens CN32 are metabolically versatile in their respiration, and the reductive dissolution of widely dispersed metals such as Fe(III), Mn(IV), or V(V) can present unique challenges if nearby bodies of water are used for irrigation or drinking. In redox transition zones, dissimilatory metal reduction (DMR) by bacteria can lead to generation of high concentrations of soluble metals. It has been shown that metals will associate with negatively charged bacterial membranes, and the mechanisms of metal reduction are well defined for many species of bacteria. The interaction of metals with the cell wall during DMR is, however, not well documented; very little is known about the interaction of respired transition metals with membrane lipids. Furthermore, bacterial surfaces tend to change in response to their immediate environments. Variations in conditions such as oxygen or metal presence may affect surface component composition, including availability of metal reactive sites. Our research seeks to characterize the biochemical nature of metal-membrane interactions, as well as identify the unique changes at the cell surface that arise as a result of metal presence in their environments. We have utilized scanning transmission X-ray microscopy (STXM) to examine the dynamics of soluble Mn(II) and V(IV) interactions with purified bacterial membranes rather than whole cells. This prevents intracellular interferences, and allows for near edge X-ray absorption fine structure (NEXAFS) spectroscopic analyses of cell surface and surface-associated components. NEXAFS spectra for carbon, nitrogen, and oxygen edges indicate that Mn(II) and V(IV) induce biological modifications of the cell membrane in both aerobic and anaerobic conditions. These changes depend not only on the metal, but also on the presence of

  19. High Metal Concentrations Are Required for Self-Association of Synaptotagmin II

    PubMed Central

    García, Ricardo A.; Godwin, Hilary Arnold

    2004-01-01

    Several members of the synaptotagmin (syt) family of vesicle proteins have been proposed to act as Ca2+ sensors on synaptic vesicles. The mechanism by which calcium activates this class of proteins has been the subject of controversy, yet relatively few detailed biophysical studies have been reported on how isoforms other than syt I respond to divalent metal ions. Here, we report a series of studies on the response of syt II to a wide range of metal ions. Analytical ultracentrifugation studies demonstrate that Ca2+ induces protein dimerization upon exposure to 5 mM Ca2+. Whereas Ba2+, Mg2+, or Sr2+ do not potentiate self-association as strongly as Ca2+, Pb2+ triggers self-association of syt II at concentrations as low as 10 μM. Partial proteolysis studies suggest that the various divalent metals cause different changes in the conformation of the protein. The high calcium concentrations required for self-association of syt II suggest that the oligomerized state of this protein is not a critical intermediate in vesicle fusion; however, low-affinity calcium sites on syt II may play a critical role in buffering calcium at the presynaptic active zone. In addition, the high propensity of lead to oligomerize syt II offers a possible molecular explanation for how lead interferes with calcium-evoked neurotransmitter release. PMID:15041683

  20. Metal-ion dependent catalytic properties of Sulfolobus solfataricus class ii α-mannosidase.

    PubMed

    Nielsen, Jonas Willum; Poulsen, Nina Rødtness; Johnsson, Anna; Winther, Jakob Rahr; Stipp, S L S; Willemoës, Martin

    2012-10-01

    The active site for the family GH38 class II α-mannosidase is constituted in part by a divalent metal ion, mostly Zn(2+), as revealed in the crystal structures of enzymes from both animal and bacterial sources. The metal ion coordinates to the bound substrate and side chains of conserved amino acid residues. Recently, evidence has accumulated that class II α-mannosidase is active in complex with a range of divalent metal ions. In the present work, with employment of the class II α-mannosidase, ManA, from the hyperthermophilic archaeon Sulfolobus solfataricus, we explored the influence of the divalent metal ion on the associated steady-state kinetic parameters, K(M) and k(cat), for various substrates. With p-nitrophenyl-α-d-mannoside as a substrate, the enzyme showed activity in the presence of Co(2+), Cd(2+), Mn(2+), and Zn(2+), whereas Ni(2+) and Cu(2+) were inhibitory and nonactivating. Co(2+) was the preferred metal ion, with a k(cat)/K(M) value of about 120 mM(-1) s(-1), 6 times higher than that with Cd(2+) and Zn(2+) and 10 times higher than that with Mn(2+). With α-1,2-, α-1,3-, α-1,4-, or α-1,6-mannobiose as a substrate, Co(2+) was the only metal ion promoting hydrolysis of all substrates; however, Mn(2+), Cd(2+), and Zn(2+) could substitute to a varying extent. A change in the divalent metal ion generally affected the K(M) for the hydrolysis of p-nitrophenyl-α-d-mannoside; however, changes in both k(cat) and K(M) for the hydrolysis of α-mannobioses were observed, along with changing preferences for the glycosidic linkage. Finally, it was found that the metal ion and substrate bind in that order via a steady-state, ordered, sequential mechanism.

  1. Electron capture from solids by positrons

    SciTech Connect

    Howell, R.

    1987-08-01

    The capture of electrons in solids is modified from that in gasses by several factors. The most important is the collective interaction of the electrons which results in a density of electron states in the solid in wide bands. Also the high density of electrons in many solids gives a high frequency of interaction as compared to gasses, and quickly destroys any electron-positron states in the metal matrix. Consequently, most positrons implanted in a metal will rapidly thermalize, and unless they reach the surface will annihilate with an electron in an uncorrelated state. Positronium formation from positrons scattered at a metal surface is analogous to ion neutralization however, most of the positronium comes from positrons passing through the surface from the bulk. The dominant motivation for studying positronium formation has been the hope that the distribution of the electrons at the surface would be obtained through the annihilation properties of positrons trapped at the surface or through analysis of the energy and angular distributions of the positronium emitted into the vacuum. These distributions have been measured and are included in this paper. 17 refs.

  2. An Investigation Of The Metallicity Dependence Of The Sn Type Ii Mn Production

    NASA Astrophysics Data System (ADS)

    Kim, Yeunjin; Sobeck, J.; Frohlich, C.; Truran, J.

    2010-01-01

    Element abundance trends over the history of our Galaxy serve as important guides in establishing relative contributions from supernovae of Types Ia and II. In particular, spectroscopic studies have revealed a deficiency of manganese (Mn) relative to the abundances of neighboring iron-peak nuclei in metal-poor stars. However, more recent analyses of the observational data have found a constant Mn/Fe abundance ratio over a wide range of metallicity and hence, contradict these previous findings. In this project, we will study the nucleosynthetic yields of Type II supernovae as a function of metallicity by parameterizing the initial properties of the shock. We will compare our results with the two distinct manganese abundance trends identified above. Once we study the metallicity dependency of Type II yields as reflected in observations at lower metallicities, we will explore the constraints this imposes on Type Ia supernova contributions to Mn in different stellar and galactic populations. We acknowledge the financial support by the National Science Foundation for the Frontier Center Joint Institute for Nuclear Astrophysics (JINA). C.F. acknowledges an Enrico Fermi Fellowship.

  3. Positron-rubidium scattering

    NASA Technical Reports Server (NTRS)

    Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.

    1990-01-01

    A 5-state close-coupling calculation (5s-5p-4d-6s-6p) was carried out for positron-Rb scattering in the energy range 3.7 to 28.0 eV. In contrast to the results of similar close-coupling calculations for positron-Na and positron-K scattering the (effective) total integrated cross section has an energy dependence which is contrary to recent experimental measurements.

  4. Positron annihilation in flight

    NASA Astrophysics Data System (ADS)

    Tudor Jones, Goronwy

    1999-09-01

    In this resource article, an exceptional bubble chamber picture - showing the annihilation of a positron (antielectron e+ ) in flight - is discussed in detail. Several other esoteric phenomena (some not easy to show on their own!) also manifest themselves in this picture - pair creation or the materialization of a high energy photon into an electron-positron pair; the `head-on' collision of a positron with an electron, from which the mass of the positron can be estimated; the Compton Effect ; an example of the emission of electromagnetic radiation (photons) by accelerating charges (bremsstrahlung ).

  5. Reduction of aqueous transition metal species on the surfaces of Fe(II)-containing oxides

    USGS Publications Warehouse

    White, A.F.; Peterson, M.L.

    1996-01-01

    Experimental studies demonstrate that structural Fe(II) in magnetite and ilmenite heterogeneously reduce aqueous ferric, cupric, vanadate, and chromate ions at the oxide surfaces over a pH range of 1-7 at 25??C. For an aqueous transition metal m, such reactions are 3[Fe2+Fe3+2]O4(magnetite) + 2/nmz ??? 4[Fe3+2]O3(maghemite) + Fe2+ + 2/nmz-n and 3[Fe2+Ti]O3(ilmenite) + 2/nmz ??? Fe3+2Ti3O9(pseudorutile) + Fe2+ + 2/nmz-n, where z is the valance state and n is the charge transfer number. The half cell potential range for solid state oxidation [Fe(II)] ??? [Fe(III)] is -0.34 to -0.65 V, making structural Fe(II) a stronger reducing agent than aqueous Fe2+ (-0.77 V). Reduction rates for aqueous metal species are linear with time (up to 36 h), decrease with pH, and have rate constants between 0.1 and 3.3 ?? 10-10 mol m-2 s-1. Iron is released to solution both from the above reactions and from dissolution of the oxide surface. In the presence of chromate, Fe2+ is oxidized homogeneously in solution to Fe3+. X-ray photoelectron spectroscopy (XPS) denotes a Fe(III) oxide surface containing reduced Cr(III) and V(IV) species. Magnetite and ilmenite electrode potentials are insensitive to increases in divalent transition metals including Zn(II), Co(II), Mn(II), and Ni(II) and reduced V(IV) and Cr(III) but exhibit a log-linear concentration-potential response to Fe(III) and Cu(II). Complex positive electrode responses occur with increasing Cr(VI) and V(V) concentrations. Potential dynamic scans indicate that the high oxidation potential of dichromate is capable of suppressing the cathodic reductive dissolution of magnetite. Oxide electrode potentials are determined by the Fe(II)/Fe(III) composition of the oxide surface and respond to aqueous ion potentials which accelerate this oxidation process. Natural magnetite sands weathered under anoxic conditions are electrochemically reactive as demonstrated by rapid chromate reduction and the release of aqueous Fe(III) to experimental

  6. The application of positron emission tomography (PET/CT) in diagnosis of breast cancer. Part II. Diagnosis after treatment initiation, future perspectives.

    PubMed

    Jodłowska, Elżbieta; Czepczyński, Rafał; Czarnywojtek, Agata; Rewers, Amanda; Jarząbek, Grażyna; Kędzia, Witold; Ruchała, Marek

    2016-01-01

    Similarly to the applications described in the first part of this publication, positron emission tomography with computed tomography (PET/CT) is also gaining importance in monitoring a tumour's response to therapy and diagnosing breast cancer recurrences. This is additionally caused by the fact that many new techniques (dual-time point imaging, positron emission tomography with magnetic resonance PET/MR, PET/CT mammography) and radiotracers (16α-18F-fluoro-17β-estradiol, 18F-fluorothymidine) are under investigation. The highest sensitivity and specificity when monitoring response to treatment is achieved when the PET/CT scan is made after one or two chemotherapy courses. Response to anti-hormonal treatment can also be monitored, also when new radiotracers, such as FES, are used. When monitoring breast cancer recurrences during follow-up, PET/CT has higher sensitivity than conventional imaging modalities, making it possible to monitor the whole body simultaneously. New techniques and radiotracers enhance the sensitivity and specificity of PET and this is why, despite relatively high costs, it might become more widespread in monitoring response to treatment and breast cancer recurrences. PMID:27647983

  7. The application of positron emission tomography (PET/CT) in diagnosis of breast cancer. Part II. Diagnosis after treatment initiation, future perspectives

    PubMed Central

    Jodłowska, Elżbieta; Czarnywojtek, Agata; Rewers, Amanda; Jarząbek, Grażyna; Kędzia, Witold; Ruchała, Marek

    2016-01-01

    Similarly to the applications described in the first part of this publication, positron emission tomography with computed tomography (PET/CT) is also gaining importance in monitoring a tumour's response to therapy and diagnosing breast cancer recurrences. This is additionally caused by the fact that many new techniques (dual-time point imaging, positron emission tomography with magnetic resonance PET/MR, PET/CT mammography) and radiotracers (16α-18F-fluoro-17β-estradiol, 18F-fluorothymidine) are under investigation. The highest sensitivity and specificity when monitoring response to treatment is achieved when the PET/CT scan is made after one or two chemotherapy courses. Response to anti-hormonal treatment can also be monitored, also when new radiotracers, such as FES, are used. When monitoring breast cancer recurrences during follow-up, PET/CT has higher sensitivity than conventional imaging modalities, making it possible to monitor the whole body simultaneously. New techniques and radiotracers enhance the sensitivity and specificity of PET and this is why, despite relatively high costs, it might become more widespread in monitoring response to treatment and breast cancer recurrences. PMID:27647983

  8. The application of positron emission tomography (PET/CT) in diagnosis of breast cancer. Part II. Diagnosis after treatment initiation, future perspectives

    PubMed Central

    Jodłowska, Elżbieta; Czarnywojtek, Agata; Rewers, Amanda; Jarząbek, Grażyna; Kędzia, Witold; Ruchała, Marek

    2016-01-01

    Similarly to the applications described in the first part of this publication, positron emission tomography with computed tomography (PET/CT) is also gaining importance in monitoring a tumour's response to therapy and diagnosing breast cancer recurrences. This is additionally caused by the fact that many new techniques (dual-time point imaging, positron emission tomography with magnetic resonance PET/MR, PET/CT mammography) and radiotracers (16α-18F-fluoro-17β-estradiol, 18F-fluorothymidine) are under investigation. The highest sensitivity and specificity when monitoring response to treatment is achieved when the PET/CT scan is made after one or two chemotherapy courses. Response to anti-hormonal treatment can also be monitored, also when new radiotracers, such as FES, are used. When monitoring breast cancer recurrences during follow-up, PET/CT has higher sensitivity than conventional imaging modalities, making it possible to monitor the whole body simultaneously. New techniques and radiotracers enhance the sensitivity and specificity of PET and this is why, despite relatively high costs, it might become more widespread in monitoring response to treatment and breast cancer recurrences.

  9. Extremely bulky amido first row transition metal(II) halide complexes: potential precursors to low coordinate metal-metal bonded systems.

    PubMed

    Hicks, Jamie; Jones, Cameron

    2013-04-01

    Reactions of the extremely bulky potassium amide complexes, [KL'(η(6)-toluene)] or [KL"] (L'/L" = N(Ar*)(SiR3), Ar* = C6H2{C(H)Ph2}2Me-2,6,4; R = Me (L') or Ph (L")), with a series of first row transition metal(II) halides have yielded 10 rare examples of monodentate amido first row transition metal(II) halide complexes, all of which were crystallographically characterized. They encompass the dimeric, square-planar chromium complexes, [{CrL'(THF)(μ-Cl)}2] and [{CrL"(μ-Cl)}2], the latter of which displays intramolecular η(2)-Ph···Cr interactions; the dimeric tetrahedral complexes, [{ML'(THF)(μ-Br)}2] (M = Mn or Fe), [{ML"(THF)(μ-X)}2] (M = Mn, Fe or Co; X = Cl or Br) and [{CoL"(μ-Cl)}2] (which displays intramolecular η(2)-Ph···Co interactions); and the monomeric zinc amides, [L'ZnBr(THF)] (three-coordinate) and [L"ZnBr] (two-coordinate). Solution state magnetic moment determinations on all but one of the paramagnetic compounds show them to be high-spin systems. Throughout, comparisons are made with related bulky terphenyl transition metal(II) halide complexes, and the potential for the use of the prepared complexes as precursors to low-valent transition metal systems is discussed.

  10. Characterization of Irradiated Metal Waste from the Pyrometallurgical Treatment of Used EBR-II Fuel

    SciTech Connect

    B.R. Westphal; K.C. Marsden; W.M. McCartin; S.M. Frank; D.D. Keiser, Jr.; T.S. Yoo; D. Vaden; D.G. Cummings; K.J. Bateman; J. J. Giglio; T. P. O'Holleran; P. A. Hahn; M. N. Patterson

    2013-03-01

    As part of the pyrometallurgical treatment of used Experimental Breeder Reactor-II fuel, a metal waste stream is generated consisting primarily of cladding hulls laden with fission products noble to the electrorefining process. Consolidation by melting at high temperature [1873 K (1600 degrees C)] has been developed to sequester the noble metal fission products (Zr, Mo, Tc, Ru, Rh, Te, and Pd) which remain in the iron-based cladding hulls. Zirconium from the uranium fuel alloy (U-10Zr) is also deposited on the hulls and forms Fe-Zr intermetallics which incorporate the noble metals as well as residual actinides during processing. Hence, Zr has been chosen as the primary indicator for consistency of the metal waste. Recently, the first production-scale metal waste ingot was generated and sampled to monitor Zr content for Fe-Zr intermetallic phase formation and validation of processing conditions. Chemical assay of the metal waste ingot revealed a homogeneous distribution of the noble metal fission products as well as the primary fuel constituents U and Zr. Microstructural characterization of the ingot confirmed the immobilization of the noble metals in the Fe-Zr intermetallic phase.

  11. Characterization of Irradiated Metal Waste from the Pyrometallurgical Treatment of Used EBR-II Fuel

    NASA Astrophysics Data System (ADS)

    Westphal, Brian R.; Frank, S. M.; McCartin, W. M.; Cummings, D. G.; Giglio, J. J.; O'Holleran, T. P.; Hahn, P. A.; Yoo, T. S.; Marsden, K. C.; Bateman, K. J.; Patterson, M. N.

    2015-01-01

    As part of the pyrometallurgical treatment of used Experimental Breeder Reactor-II fuel, a metal waste stream is generated consisting primarily of cladding hulls laden with fission products noble to the electrorefining process. Consolidation by melting at high temperature [1873 K (1600 °C)] has been developed to sequester the noble metal fission products (Zr, Mo, Tc, Ru, Rh, Te, and Pd) which remain in the iron-based cladding hulls. Zirconium from the uranium fuel alloy (U-10Zr) is also deposited on the hulls and forms Fe-Zr intermetallics which incorporate the noble metals as well as residual actinides during processing. Hence, Zr has been chosen as the primary indicator for consistency of the metal waste. Recently, the first production-scale metal waste ingot was generated and sampled to monitor Zr content for Fe-Zr intermetallic phase formation and validation of processing conditions. Chemical assay of the metal waste ingot revealed a homogeneous distribution of the noble metal fission products as well as the primary fuel constituents U and Zr. Microstructural characterization of the ingot confirmed the immobilization of the noble metals in the Fe-Zr intermetallic phase.

  12. Stellar kinematics and metallicities in the ultra-faint dwarf galaxy Reticulum II

    DOE PAGES

    Simon, J. D.

    2015-07-23

    With this study, we present Magellan/M2FS, Very Large Telescope/GIRAFFE, and Gemini South/GMOS spectroscopy of the newly discovered Milky Way satellite Reticulum II. Based on the spectra of 25 Ret II member stars selected from Dark Energy Survey imaging, we measure a mean heliocentric velocity ofmore » $$62.8\\pm 0.5\\;\\mathrm{km}\\;{{\\rm{s}}}^{-1}$$ and a velocity dispersion of $$3.3\\pm 0.7\\;\\mathrm{km}\\;{{\\rm{s}}}^{-1}$$. The mass-to-light ratio of Ret II within its half-light radius is $$470\\pm 210\\ {M}_{\\odot }/{L}_{\\odot }$$, demonstrating that it is a strongly dark matter-dominated system. Despite its spatial proximity to the Magellanic Clouds, the radial velocity of Ret II differs from that of the LMC and SMC by 199 and 83 $$\\mathrm{km}\\ {{\\rm{s}}}^{-1}$$, respectively, suggesting that it is not gravitationally bound to the Magellanic system. The likely member stars of Ret II span 1.3 dex in metallicity, with a dispersion of 0.28 ± 0.09 dex, and we identify several extremely metal-poor stars with $${\\rm{[Fe/H]}}\\lt -3$$. In combination with its luminosity, size, and ellipticity, these results confirm that Ret II is an ultra-faint dwarf galaxy. With a mean metallicity of $${\\rm{[Fe/H]}}=-2.65\\pm 0.07$$, Ret II matches Segue 1 as the most metal-poor galaxy known. Although Ret II is the third-closest dwarf galaxy to the Milky Way, the line-of-sight integral of the dark matter density squared is $${\\mathrm{log}}_{10}(J)=18.8\\pm 0.6\\;\\;\\mathrm{GeV}{\\;}^{2}\\;{\\mathrm{cm}}^{-5}\\;$$ within 0fdg2, indicating that the predicted gamma-ray flux from dark matter annihilation in Ret II is lower than that of several other dwarf galaxies.« less

  13. Positron microprobe at LLNL

    SciTech Connect

    Asoka, P; Howell, R; Stoeffl, W

    1998-11-01

    The electron linac based positron source at Lawrence Livermore National Laboratory (LLNL) provides the world's highest current beam of keV positrons. We are building a positron microprobe that will produce a pulsed, focused positron beam for 3-dimensional scans of defect size and concentration with sub-micron resolution. The widely spaced and intense positron packets from the tungsten moderator at the end of the 100 MeV LLNL linac are captured and trapped in a magnetic bottle. The positrons are then released in 1 ns bunches at a 20 MHz repetition rate. With a three-stage re-moderation we will compress the cm-sized original beam to a 1 micro-meter diameter final spot on the target. The buncher will compress the arrival time of positrons on the target to less than 100 ps. A detector array with up to 60 BaF2 crystals in paired coincidence will measure the annihilation radiation with high efficiency and low background. The energy of the positrons can be varied from less than 1 keV up to 50 keV.

  14. The study of cerebral ischemic reversibility: Part II. Preliminary preoperative results of fluoromethane positron emission tomographic determination of perfusion reserve in patients with carotid TIA and stroke.

    PubMed

    Levine, R L; Sunderland, J J; Rowe, B R; Nickles, R J

    1986-01-01

    Symmetries and asymmetries in regional cerebral blood flow (rCBF) determinations are reported in eleven patients with symptomatic carotid artery occlusive disease. Flourine-18-fluoromethane rCBF values are obtained by means of a noninvasive positron emission tomographic (PET) technique during room air (RA) and following induced hypercapnia (CO2). Areas of abnormal CO2 reactivity predict both the hemodynamic significance of the vascular lesion in question and the areas most vulnerable for ischemic infarction. This data is intended to be preliminary in nature; future expansions of this data base will be made to include rCBF/CO2 estimations, rCBF/glucose metabolism determinations, and rCBF/"reserve" evaluations over time and following brain-specific therapies. Once established, the potential viability and reversibility of these ischemic, uninfarcted or minimally infarcted areas can then be reestablished over time, thus providing a quantitative measure of the natural history of flow/metabolic coupling or uncoupling. PMID:3502524

  15. Thermodynamics of metal cation binding by a solid soil-derived humic acid: binding of Fe(III), Pb(II), and Cu(II).

    PubMed

    Ghabbour, Elham A; Shaker, Medhat; El-Toukhy, Ahmed; Abid, Ismail M; Davies, Geoffrey

    2006-04-01

    Metal binding and release by solid humic acids (HAs) in soils and sediments can affect metal mobility and bioavailability. Isotherms for tight binding of Fe(III), Pb(II) and Cu(II) by a solid humic acid at pH2.0 fit the Langmuir binding model. Low pH was chosen to protonate the HA carboxylate groups and avoid metal cation hydrolysis. Binding of Fe(III), Pb(II) and Cu(II) occurs in one detectable step labeled A. Site capacities nu(A) are temperature-independent from 10.0 to 40.0 degrees C and point to binding by charge-neutralization to form solid complexes M(OOC-R)(n)(s), where n appears to be 2 for Pb(II) and 3 for Fe(III). Thermodynamic data pairs (DeltaH(A), DeltaS(A)) for metal binding are linearly correlated with previous data for Ca(II), Co(II) and Mg(II) binding by solid HAs.

  16. Positrons for linear colliders

    SciTech Connect

    Ecklund, S.

    1987-11-01

    The requirements of a positron source for a linear collider are briefly reviewed, followed by methods of positron production and production of photons by electromagnetic cascade showers. Cross sections for the electromagnetic cascade shower processes of positron-electron pair production and Compton scattering are compared. A program used for Monte Carlo analysis of electromagnetic cascades is briefly discussed, and positron distributions obtained from several runs of the program are discussed. Photons from synchrotron radiation and from channeling are also mentioned briefly, as well as positron collection, transverse focusing techniques, and longitudinal capture. Computer ray tracing is then briefly discussed, followed by space-charge effects and thermal heating and stress due to showers. (LEW)

  17. Metal isotope and density functional study of the tetracarboxylatodicopper(II) core vibrations.

    PubMed

    Drozdzewski, Piotr; Brozyna, Anna

    2005-11-01

    Vibrational spectra of tetrakis(acetato)diaquadicopper(II) complex have been deeply examined in order to provide a detailed description of dynamics of [Cu(2)O(8)C(4)] core being a typical structural unit of most copper(II) carboxylates. Low frequency bands related to significant motions of metal atoms were detected by metal isotope substitution. Observed spectra and isotope shifts were reproduced in DFT calculations. For clear presentation of computed normal vibrations, a D(4h) symmetry approximation was successfully applied. Basing on observed isotope shifts and calculation results, all skeletal vibrations have been analyzed including normal mode with the largest Cu...Cu stretching amplitude assigned to Raman band at 178 cm(-1).

  18. Quantitative separation of Hg(II) from several metal ions on Zr(IV) antimonate papers

    SciTech Connect

    Seth, N.S.; Rajput, R.P.S.; Agrawal, N.K.; Agrawal, S.K.; Agrawal, S.

    1985-09-01

    The chromatographic behavior of 32 metal ions has been studied on paper impregnated with Zirconium(IV) antimonate in aqueous HCl and mixed solvent system containing dimethylsulfoxide and dioxane. Several important binary and ternary separations have been achieved. Quantitative separation of Hg(II) from NiS , PbS , PdS , RuT , RhT , BiT , CoS , CdS and GdT is described. 6 references, 3 tables.

  19. Type-II Dirac fermions in the PtSe2 class of transition metal dichalcogenides

    NASA Astrophysics Data System (ADS)

    Huang, Huaqing; Zhou, Shuyun; Duan, Wenhui

    2016-09-01

    Recently, a new "type-II" Weyl fermion, which exhibits exotic phenomena, such as an angle-dependent chiral anomaly, was discovered in a new phase of matter where electron and hole pockets contact at isolated Weyl points [Nature (London) 527, 495 (2015), 10.1038/nature15768]. This raises an interesting question about whether its counterpart, i.e., a type-II Dirac fermion, exists in real materials. Here, we predict the existence of symmetry-protected type-II Dirac fermions in a class of transition metal dichalcogenide materials. Our first-principles calculations on PtSe2 reveal its bulk type-II Dirac fermions which are characterized by strongly tilted Dirac cones, novel surface states, and exotic doping-driven Lifshitz transition. Our results show that the existence of type-II Dirac fermions in PtSe2-type materials is closely related to its structural P 3 ¯m 1 symmetry, which provides useful guidance for the experimental realization of type-II Dirac fermions and intriguing physical properties distinct from those of the standard Dirac fermions known before.

  20. Ca II triplet spectroscopy of RGB stars in NGC 6822: kinematics and metallicities

    NASA Astrophysics Data System (ADS)

    Swan, J.; Cole, A. A.; Tolstoy, E.; Irwin, M. J.

    2016-03-01

    We present a detailed analysis of the chemistry and kinematics of red giants in the dwarf irregular galaxy NGC 6822. Spectroscopy at ≈8500 Å was acquired for 72 red giant stars across two fields using FORS2 at the VLT. Line-of-sight extinction was individually estimated for each target star to accommodate the variable reddening across NGC 6822. The mean radial velocity was found to be = -52.8 ± 2.2 km s-1 with dispersion σv = 24.1 km s-1, in agreement with other studies. Ca II triplet equivalent widths were converted into [Fe/H] metallicities using a V magnitude proxy for surface gravity. The average metallicity was <[Fe/H]> = -0.84 ± 0.04 with dispersion σ = 0.31 dex and interquartile range 0.48. Our assignment of individual reddening values makes our analysis more sensitive to spatial variations in metallicity than previous studies. We divide our sample into metal-rich and metal-poor stars; the former were found to cluster towards small radii with the metal-poor stars more evenly distributed across the galaxy. The velocity dispersion of the metal-poor stars was found to be higher than that of the metal-rich stars (σ _{v_MP}=27.4 km s-1; σ _{v_MR}=21.1 km s-1); combined with the age-metallicity relation this indicates that the older populations have either been dynamically heated during their lifetimes or were born in a less disc-like distribution than the younger stars.. The low ratio vrot/σv suggests that within the inner 10 arcmin, NGC 6822's stars are dynamically decoupled from the H I gas, and possibly distributed in a thick disc or spheroid structure.

  1. Synthesis, characterization and biological evaluation of Rutin-zinc(II) flavonoid -metal complex.

    PubMed

    Ikeda, Norma Estefania Andrades; Novak, Estela Maria; Maria, Durvanei Augusto; Velosa, Adélia Segin; Pereira, Regina Mara Silva

    2015-09-01

    Synthesis of compounds analogous to natural products from secondary metabolites, such as flavonoids, is a promising source of novel drugs. Rutin (quercetin-3-O-rutinoside) is a natural flavone, which has, in its chemical structure, different sites for coordination with transition metals and the complexation with these metals enhances its biological properties. Rutin-zinc(II), a flavonoid-metal complex, was synthesized and characterized by UV-VIS, FT-IR, elemental analysis and (1)H NMR. The antioxidant and antitumor activities, as well as the cytotoxicity and in vivo toxicity of this complex were evaluated and compared with the free rutin. Rutin-zinc(II) has not shown any cytotoxicity against normal cells (fibroblasts and HUVECs) or toxicity in BALB/c mice, but has shown antioxidant activity in vitro and cytotoxicity against leukemia (KG1, K562 and Jurkat), multiple myeloma (RPMI8226) and melanoma (B16F10 and SK-Mel-28) cell lines in vitro. In Ehrlich ascites carcinoma model, Rutin-zinc(II) modulated the mitochondrial membrane potential and the expression of genes related to cell cycle progression, angiogenesis and apoptosis.

  2. The role of metals in production and scavenging of reactive oxygen species in photosystem II.

    PubMed

    Pospíšil, Pavel

    2014-07-01

    Metal ions play a crucial role in enzymatic reactions in all photosynthetic organisms such as cyanobacteria, algae and plants. It well known that metal ions maintain the binding of substrate in the active site of the metalloenzymes and control the redox activity of the metalloenzyme in the enzymatic reaction. A large pigment-protein complex, PSII, known to serve as a water-plastoquinone oxidoreductase, contains three metal centers comprising non-heme iron, heme iron of Cyt b559 and the water-splitting manganese complex. Metal ions bound to PSII proteins maintain the electron transport from water to plastoquinone and regulate the pro-oxidant and antioxidant activity in PSII. In this review, attention is focused on the role of PSII metal centers in (i) the formation of superoxide anion and hydroxyl radicals by sequential one-electron reduction of molecular oxygen and the formation of hydrogen peroxide by incomplete two-electron oxidation of water; and (ii) the elimination of superoxide anion radical by one-electron oxidation and reduction (superoxide dismutase activity) and of hydrogen peroxide by two-electron oxidation and reduction (catalase activity). The balance between the formation and elimination of reactive oxygen species by PSII metal centers is discussed as an important aspect in the prevention of photo-oxidative damage of PSII proteins and lipids.

  3. Study of cerebral ischemic reversibility: Part II. Preliminary preoperative results of fluoromethane positron emission tomographic determination of perfusion reserve in patients with carotid TIA and stroke

    SciTech Connect

    Levine, R.L.; Sunderland, J.J.; Rowe, B.R.; Nickles, R.J.

    1986-01-01

    Symmetries and asymmetries in regional cerebral blood flow (rCBF) determinations are reported in eleven patients with symptomatic carotid artery occlusive disease. Flourine-18-fluoromethane rCBF values are obtained by means of a noninvasive positron emission tomographic (PET) technique during room air (RA) and following induced hypercapnia (CO/sub 2/). Areas of abnormal CO/sub 2/ reactivity predict both the hemodynamic significance of the vascular lesion in question and the areas most vulnerable for ischemic infarction. This data is intended to be preliminary in nature; future expansions of this data base will be made to include rCBF/CO/sub 2/ estimations, rCBF/glucose metabolism determinations, and rCBF/reserve evaluations over time and following brain-specific therapies. Once established, the potential viability and reversibility of these ischemic, uninfarcted or minimally infarcted areas can then be reestablished over time, thus providing a quantitative measure of the natural history of flow/metabolic coupling or uncoupling.

  4. Correlation of Gas Permeability in a Metal-Organic Framework MIL-101(Cr)–Polysulfone Mixed-Matrix Membrane with Free Volume Measurements by Positron Annihilation Lifetime Spectroscopy (PALS)

    PubMed Central

    Jeazet, Harold B. Tanh; Koschine, Tönjes; Staudt, Claudia; Raetzke, Klaus; Janiak, Christoph

    2013-01-01

    Hydrothermally stable particles of the metal-organic framework MIL-101(Cr) were incorporated into a polysulfone (PSF) matrix to produce mixed-matrix or composite membranes with excellent dispersion of MIL-101 particles and good adhesion within the polymer matrix. Pure gas (O2, N2, CO2 and CH4) permeation tests showed a significant increase of gas permeabilities of the mixed-matrix membranes without any loss in selectivity. Positron annihilation lifetime spectroscopy (PALS) indicated that the increased gas permeability is due to the free volume in the PSF polymer and the added large free volume inside the MIL-101 particles. The trend of the gas transport properties of the composite membranes could be reproduced by a Maxwell model. PMID:24957061

  5. Synthesis, spectra and DNA interactions of certain mononuclear transition metal(II) complexes of macrocyclic tetraaza diacetyl curcumin ligand

    NASA Astrophysics Data System (ADS)

    Rajesh, Jegathalaprathaban; Gubendran, Ammavasi; Rajagopal, Gurusamy; Athappan, Periyakaruppan

    2012-02-01

    A series of mononuclear transition metal(II) complexes of type [M(LL)]2+ (LL = the template condensate of orthophenylene diamine and benzilidene diacetyl curcumin (ben-diacecur) and M = Cu(II) (1) or Co(II) (2) or Ni(II) (3) or Mn(II) (4)), have been isolated and the spectral behaviors are discussed. The ligand and complexes have also been characterized by the analytical and spectral methods like UV-Visible, FT-IR, NMR and EPR. Further, the interaction of the transition metal complexes with Calf thymus (CT) DNA have also been studied by the use of physical methods like UV-Visible, emission and CD spectroscopic techniques. The electrochemical responses of these metal complexes both in presence and absence of DNA have also been demonstrated. All these findings support the hypothesis of DNA interactions of all these metal complexes through the grooves with a higher degree of interaction by complex 1 (Kb = 1.4 × 105) possibly through the interposition of the aromatic rings of the ligand compared to complexes, 2-4. The complex 1 display significant oxidative cleavage of circular plasmid pUC18 DNA in the presence of H2O2 using the singlet oxygen as a reactive species. The spectral and electrochemical response of these complexes designate that the square-planar Cu(II), Ni(II) and Co(II) complexes interact much better than the axially coordinated octahedral Mn(II) complex.

  6. Synthesis, characterization and extraction studies of some metal (II) complexes containing (hydrazoneoxime and bis-acylhydrazone) moieties

    NASA Astrophysics Data System (ADS)

    Al-Ne'aimi, Mohammed Mahmmod; Al-Khuder, Mohammed Moudar

    2013-03-01

    In this study, diacetylmonoximebenzoylhydrazone (L1H2) and 1,4-diacetylbenzene bis(benzoyl hydrazone) (L2H2) were synthesized by the condensation of benzohydrazide with diacetyl monoxime and 1,4-diacetylbenzene, respectively. Complexes of these ligands with Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) inos were prepared with a metal:ligand ratio of 1:2 for L1H2 ligand, and 1:1 for L2H2 ligand. The ligands and their complexes were elucidated on the basis of elemental analyses CHN, AAS, FT-IR, 1H- and 13C NMR spectra, UV-vis spectra and magnetic susceptibility measurements. Results show the L1H2 ligand act as monoanionic O,N,N-tridentate and coordination takes place in the enol form through the oxime nitrogen, the imine nitrogen and the enolate oxygen atoms with a N4O2 donor environment, while the L2H2 ligand act as a dianionic O,N,N,O-tetradentate and coordination takes place in the enol form through the enolate oxygen and the azomethine nitrogen atoms with a N2O2 donor environment. These results are consistent with the formation of mononuclear metal (II) complexes [M(L1H)2], and binuclear polymeric metal (II) complexes [{M2(L2)}n]. The extraction ability of both ligands were examined in chloroform by the liquid-liquid extraction of selected transition metal [Co2+, Ni2+, Cu2+, Zn2+ and Pb2+] cations. The effects of pH and contact time on the percentage extraction of metal (II) ions were studied under the optimum extraction conditions. The (L1H2) ligand shows strong binding ability toward copper(II) and lead(II) ions, while the (L2H2) ligand shows strong binding ability toward nickel(II) and zinc(II) ions.

  7. Synthesis, characterization and extraction studies of some metal (II) complexes containing (hydrazoneoxime and bis-acylhydrazone) moieties.

    PubMed

    Al-Ne'aimi, Mohammed Mahmmod; Al-Khuder, Mohammed Moudar

    2013-03-15

    In this study, diacetylmonoximebenzoylhydrazone (L(1)H(2)) and 1,4-diacetylbenzene bis(benzoyl hydrazone) (L(2)H(2)) were synthesized by the condensation of benzohydrazide with diacetyl monoxime and 1,4-diacetylbenzene, respectively. Complexes of these ligands with Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) inos were prepared with a metal:ligand ratio of 1:2 for L(1)H(2) ligand, and 1:1 for L(2)H(2) ligand. The ligands and their complexes were elucidated on the basis of elemental analyses CHN, AAS, FT-IR, (1)H- and (13)C NMR spectra, UV-vis spectra and magnetic susceptibility measurements. Results show the L(1)H(2) ligand act as monoanionic O,N,N-tridentate and coordination takes place in the enol form through the oxime nitrogen, the imine nitrogen and the enolate oxygen atoms with a N(4)O(2) donor environment, while the L(2)H(2) ligand act as a dianionic O,N,N,O-tetradentate and coordination takes place in the enol form through the enolate oxygen and the azomethine nitrogen atoms with a N(2)O(2) donor environment. These results are consistent with the formation of mononuclear metal (II) complexes [M(L(1)H)(2)], and binuclear polymeric metal (II) complexes [{M(2)(L(2))}(n)]. The extraction ability of both ligands were examined in chloroform by the liquid-liquid extraction of selected transition metal [Co(2+), Ni(2+), Cu(2+), Zn(2+) and Pb(2+)] cations. The effects of pH and contact time on the percentage extraction of metal (II) ions were studied under the optimum extraction conditions. The (L(1)H(2)) ligand shows strong binding ability toward copper(II) and lead(II) ions, while the (L(2)H(2)) ligand shows strong binding ability toward nickel(II) and zinc(II) ions. PMID:23333690

  8. Aggregation of nanoscale iron oxyhydroxides and corresponding effects on metal uptake, retention, and speciation: II. Temperature and time

    NASA Astrophysics Data System (ADS)

    Stegemeier, J. P.; Reinsch, B. C.; Lentini, C. J.; Dale, J. G.; Kim, C. S.

    2015-01-01

    The aggregation and growth of nanosized particles can greatly impact their capacity to sorb and retain dissolved metals, thus affecting metal fate and transport in contaminated systems. Aqueous suspensions of synthesized nanoscale iron oxyhydroxides were exposed to dissolved Zn(II) or Cu(II) and aged at room temperature (∼20 °C), 50 °C, and 75 °C for timeframes ranging from 0 to 96 h before sorbed metal ions were desorbed by lowering the suspension pH. Atomic absorption spectroscopic analysis of supernatants both before and after the desorption step determined how temperature and time affect macroscopic metal uptake and retention capacities. Extended X-ray absorption fine structure (EXAFS) spectroscopy analysis described the local binding environment of the sorbed/retained metals on the solid phase. With increasing aging temperature and time, the initial ∼5-nm oblong nanoparticles formed dense aggregates, lost reactive surface area, and retained progressively larger fractions of the initially-introduced Zn(II) and Cu(II) following the desorption step, with the copper species inhibiting the oriented aggregation of the nanoparticles into nanorods. Based on EXAFS analysis, the speciation of the sorbed metal species evolves with increasing time and temperature from surface-sorbed metal ions, which readily desorb and return to solution, to more strongly-bound, structurally-incorporated metal ions. These retained metals appear to associate intimately with the nanoparticle aggregates by substituting for iron in the nanoparticle lattice or by binding within nanoparticle aggregate pore spaces.

  9. Immobilization of Radionuclides and Heavy Metals through Anaerobic Bio-Oxidation of Fe(II)

    PubMed Central

    Lack, Joseph G.; Chaudhuri, Swades K.; Kelly, Shelly D.; Kemner, Kenneth M.; O'Connor, Susan M.; Coates, John D.

    2002-01-01

    Adsorption of heavy metals and radionuclides (HMR) onto iron and manganese oxides has long been recognized as an important reaction for the immobilization of these compounds. However, in environments containing elevated concentrations of these HMR the adsorptive capacity of the iron and manganese oxides may well be exceeded, and the HMR can migrate as soluble compounds in aqueous systems. Here we demonstrate the potential of a bioremediative strategy for HMR stabilization in reducing environments based on the recently described anaerobic nitrate-dependent Fe(II) oxidation by Dechlorosoma species. Bio-oxidation of 10 mM Fe(II) and precipitation of Fe(III) oxides by these organisms resulted in rapid adsorption and removal of 55 μM uranium and 81 μM cobalt from solution. The adsorptive capacity of the biogenic Fe(III) oxides was lower than that of abiotically produced Fe(III) oxides (100 μM for both metals), which may have been a result of steric hindrance by the microbial cells on the iron oxide surfaces. The binding capacity of the biogenic oxides for different heavy metals was indirectly correlated to the atomic radius of the bound element. X-ray absorption spectroscopy indicated that the uranium was bound to the biogenically produced Fe(III) oxides as U(VI) and that the U(VI) formed bidentate and tridentate inner-sphere complexes with the Fe(III) oxide surfaces. Dechlorosoma suillum oxidation was specific for Fe(II), and the organism did not enzymatically oxidize U(IV) or Co(II). Small amounts (less than 2.5 μM) of Cr(III) were reoxidized by D. suillum; however, this appeared to be inversely dependent on the initial concentration of the Cr(III). The results of this study demonstrate the potential of this novel approach for stabilization and immobilization of HMR in the environment. PMID:12039723

  10. THE JHU-SDSS METAL ABSORPTION LINE CATALOG: REDSHIFT EVOLUTION AND PROPERTIES OF Mg II ABSORBERS

    SciTech Connect

    Zhu Guangtun; Menard, Brice

    2013-06-20

    We present a generic and fully automatic method aimed at detecting absorption lines in the spectra of astronomical objects. The algorithm estimates the source continuum flux using a dimensionality reduction technique and nonnegative matrix factorization, and then detects and identifies metal absorption lines. We apply it to a sample of {approx}10{sup 5} quasar spectra from the Sloan Digital Sky Survey and compile a sample of {approx}40,000 Mg II- and Fe II-absorber systems, spanning the redshift range 0.4 < z < 2.3. The corresponding catalog is publicly available. We study the statistical properties of these absorber systems and find that the rest equivalent width distribution of strong Mg II absorbers follows an exponential distribution at all redshifts, confirming previous studies. Combining our results with recent near-infrared observations of Mg II absorbers, we introduce a new parameterization that fully describes the incidence rate of these systems up to z {approx} 5. We find the redshift evolution of strong Mg II absorbers to be remarkably similar to the cosmic star formation history over 0.4 < z < 5.5 (the entire redshift range covered by observations), suggesting a physical link between these two quantities.

  11. Lifetime of combustion-generated environmentally persistent free radicals on Zn(II)O and other transition metal oxides

    PubMed Central

    Vejerano, Eric; Dellinger, Barry

    2014-01-01

    Previous studies indicated that Environmentally Persistent Free Radicals (EPFRs) are formed in the post-flame, cool zone of combustion. They result from the chemisorption of gas-phase products of incomplete combustion (particularly hydroxyl- and chlorine-substituted aromatics) on Cu(II)O, Fe(III)2O3, and Ni(II)O domains of particulate matter (fly ash or soot particles). This study reports our detailed laboratory investigation on the lifetime of EPFRs on Zn(II)O/silica surface. Similarly, as in the case of other transition metals, chemisorption of the adsorbate on the Zn(II)O surface and subsequent transfer of electron from the adsorbate to the metal forms a surface-bound EPFR and a reduced metal ion center. The EPFRs are stabilized by their interaction with the metal oxide domain surface. The half-lives of EPFRs formed on Zn(II)O domains were the longest observed among the transition metal oxides studied and ranged from 3 to 73 days. These half-lives were an order of magnitude longer than those formed on nickel and iron oxides, and were 2 orders of magnitude longer compared to the EPFRs on copper oxide which have half-lives only on the order of hours. The longest-lived radicals on Zn(II)O correspond to the persistency in ambient air particles of almost a year. The half-life of EPFRs was found to correlate with the standard reduction potential of the associated metal. PMID:22990982

  12. Effect of biofilm coatings at metal-oxide/water interfaces I: Pb(II) and Zn(II) partitioning and speciation at Shewanella oneidensis/metal-oxide/water interfaces

    NASA Astrophysics Data System (ADS)

    Wang, Yingge; Gélabert, Alexandre; Michel, F. Marc; Choi, Yongseong; Gescher, Johannes; Ona-Nguema, Georges; Eng, Peter J.; Bargar, John R.; Farges, Francois; Spormann, Alfred M.; Brown, Gordon E.

    2016-09-01

    Microbial biofilms are often present as coatings on metal-oxide surfaces in natural and industrial environments and may induce significant changes in the partitioning behavior and speciation of aqueous metal ions, which in turn can impact their transport and fate. In this study, long-period X-ray standing wave-fluorescence yield (LP-XSW-FY) spectroscopy was used to measure under in situ conditions the partitioning of aqueous Pb(II) and Zn(II) between multilayer Shewanella oneidensis MR-1 biofilms and highly polished, oriented single-crystal surfaces of α-Al2O3 and α-Fe2O3 as a function of metal-ion concentration and time at pH 6.0. We show that after 3-h exposure time, Pb(II) binds preferentially to the α-Al2O3 (1-102) and α-Fe2O3 (0 0 0 1) surfaces at low Pb concentration ([Pb] = 10-7 M) and then increasingly partitions into the biofilm coatings at higher concentrations (10-6 to 10-4 M). In contrast, Zn(II) partitions preferentially into the biofilm coating for both surfaces at all Zn concentrations studied (10-7 to 10-4 M). In comparison, the α-Al2O3 (0 0 0 1) surface has a low affinity for both Pb(II) and Zn(II), and the biofilm coatings are the dominant sink for both ions. These findings suggest that in the presence of S. oneidensis biofilm coatings, α-Al2O3 (0 0 0 1) is the least reactive surface for Pb(II) and Zn(II) compared to α-Al2O3 (1-102) and α-Fe2O3 (0 0 0 1). They also show that Zn(II) has a lower affinity than Pb(II) for reactive sites on α-Al2O3 (1-102) and α-Fe2O3 (0 0 0 1) at [Me(II)] of 10-7 M; at 10-5 M, the bulk of the metal ions partition into the biofilm coatings. At longer exposure times (20-24 h), both Pb(II) and Zn(II) increasingly partition to the metal-oxide surfaces at [Me(II)] = 10-5 M and pH 6.0, indicating possible reaction/diffusion-controlled sorption processes. Pb LIII-edge and Zn K-edge grazing-incidence extended X-ray absorption fine structure (GI-EXAFS) measurements suggest that both Pb(II) and Zn(II) ions may be

  13. Synthesis, Characterization and Biological Properties of Tridentate NNO, NNS and NNN Donor Thiazole-Derived Furanyl, Thiophenyl and Pyrrolyl Schiff Bases and Their Co(II), Cu(II), Ni(II) and Zn(II) Metal Chelates

    PubMed Central

    Kausar, Samina

    2000-01-01

    2-Aminothiazole undergoes condensation reactions with furane-, thiophene- and pyrrole-2-carboxylaldehyde to give tridentate NNO, NNS and NNN Schiff bases respectively. These tridentate Schiff bases formed complexes of the type [M (L)2]X2 where [M=Co(II), Cu(II), Ni(II) or Zn(II), L=N-(2-furanylmethylene)-2-aminothiazole (L1), N-(2-thiophenylmethylene)-2-aminothiazole (L2, N-(2-pyrrolylmethylene)-2-aminothiazole (L3) and X=Cl. The structures of these Schiff bases and of their complexes have been determined on the basis of their physical, analytical and spectral data. The screening results of these compounds indicated them to possess excellent antibacterial activity against tested pathogenic bacterial organisms e.g., Escherichia coli, Staphylococcus aureous and Pseudomonas aeruginosa. However, in comparison, their metal chelates have been shown to possess more antibacterial activity than the uncomplexed Schiff bases. PMID:18475919

  14. Synthesis, Characterization and Biological Properties of Tridentate NNO, NNS and NNN Donor Thiazole-Derived Furanyl, Thiophenyl and Pyrrolyl Schiff Bases and Their Co(II), Cu(II), Ni(II) and Zn(II) Metal Chelates.

    PubMed

    Chohan, Z H; Kausar, S

    2000-01-01

    2-Aminothiazole undergoes condensation reactions with furane-, thiophene- and pyrrole-2-carboxylaldehyde to give tridentate NNO, NNS and NNN Schiff bases respectively. These tridentate Schiff bases formed complexes of the type [M (L)(2)]X(2) where [M=Co(II), Cu(II), Ni(II) or Zn(II), L=N-(2-furanylmethylene)-2-aminothiazole (L(1)), N-(2-thiophenylmethylene)-2-aminothiazole (L(2), N-(2-pyrrolylmethylene)-2-aminothiazole (L(3)) and X=Cl. The structures of these Schiff bases and of their complexes have been determined on the basis of their physical, analytical and spectral data. The screening results of these compounds indicated them to possess excellent antibacterial activity against tested pathogenic bacterial organisms e.g., Escherichia coli, Staphylococcus aureous and Pseudomonas aeruginosa. However, in comparison, their metal chelates have been shown to possess more antibacterial activity than the uncomplexed Schiff bases.

  15. The Reduction of Aqueous Metal Species on the Surfaces of Fe(II)-Containing Oxides: The Role of Surface Passivation

    USGS Publications Warehouse

    White, A.F.; Peterson, M.L.

    1998-01-01

    The reduction of aqueous transition metal species at the surfaces of Fe(II)- containing oxides has important ramifications in predicting the transport behavior in ground water aquifers. Experimental studies using mineral suspensions and electrodes demonstrate that structural Fe(II) heterogeneously reduces aqueous ferric, cupric, vanadate and chromate ions on magnetite and ilmenite surfaces. The rates of metal reduction on natural oxides is strongly dependent on the extent of surface passivation and redox conditions in the weathering environment. Synchrotron studies show that surface oxidation of Fe(II)-containing oxide minerals decreases their capacity for Cr(VI) reduction at hazardous waste disposal sites.

  16. Atomic diffusion processes in heteroepitaxial metallic systems using SLKMC-II

    NASA Astrophysics Data System (ADS)

    Shah, Syed Islamuddin; Karim, Altaf

    We have examined the diffusion of small islands of Cu on Ag(111) surface using a self-learning kinetic Monte Carlo (SLKMC-II) method with an improved pattern recognition scheme. Due to strain generated at the interface between metals with different bulk lattice constants, interesting single atom, multi-atom and concerted diffusion processes are automatically revealed in the simulations. Here we will report various processes for small islands in the case of Cu/Ag(111) system. Key processes responsible for island diffusion and their energetics together with trends in effective energy barriers as well as diffusion constants for small islands will also be provided. In addition to 2-D diffusion processes, as an application of SLKMC-II to the 3-dimensional heteroepitaxial systems, we will also report energy barriers of some of the 3-dimensional processes including down the A- and B-steps and exchange processes

  17. Ca(II) Binding Regulates and Dominates the Reactivity of a Transition-Metal-Ion-Dependent Diesterase from Mycobacterium tuberculosis.

    PubMed

    Pedroso, Marcelo M; Larrabee, James A; Ely, Fernanda; Gwee, Shuhui E; Mitić, Nataša; Ollis, David L; Gahan, Lawrence R; Schenk, Gerhard

    2016-01-18

    The diesterase Rv0805 from Mycobacterium tuberculosis is a dinuclear metallohydrolase that plays an important role in signal transduction by controlling the intracellular levels of cyclic nucleotides. As Rv0805 is essential for mycobacterial growth it is a promising new target for the development of chemotherapeutics to treat tuberculosis. The in vivo metal-ion composition of Rv0805 is subject to debate. Here, we demonstrate that the active site accommodates two divalent transition metal ions with binding affinities ranging from approximately 50 nm for Mn(II) to about 600 nm for Zn(II) . In contrast, the enzyme GpdQ from Enterobacter aerogenes, despite having a coordination sphere identical to that of Rv0805, binds only one metal ion in the absence of substrate, thus demonstrating the significance of the outer sphere to modulate metal-ion binding and enzymatic reactivity. Ca(II) also binds tightly to Rv0805 (Kd ≈40 nm), but kinetic, calorimetric, and spectroscopic data indicate that two Ca(II) ions bind at a site different from the dinuclear transition-metal-ion binding site. Ca(II) acts as an activator of the enzymatic activity but is able to promote the hydrolysis of substrates even in the absence of transition-metal ions, thus providing an effective strategy for the regulation of the enzymatic activity.

  18. Variable primary coordination environments of Cd(II) binding to three helix bundles provide a pathway for rapid metal exchange.

    PubMed

    Tebo, Alison G; Hemmingsen, Lars; Pecoraro, Vincent L

    2015-12-01

    Members of the ArsR/SmtB family of transcriptional repressors, such as CadC, regulate the intracellular levels of heavy metals like Cd(II), Hg(II), and Pb(II). These metal sensing proteins bind their target metals with high specificity and affinity, however, a lack of structural information about these proteins makes defining the coordination sphere of the target metal difficult. Lingering questions as to the identity of Cd(II) coordination in CadC are addressed via protein design techniques. Two designed peptides with tetrathiolate metal binding sites were prepared and characterized, revealing fast exchange between CdS3O and CdS4 coordination spheres. Correlation of (111m)Cd PAC spectroscopy and (113)Cd NMR spectroscopy suggests that Cd(II) coordinated to CadC is in fast exchange between CdS3O and CdS4 forms, which may provide a mechanism for rapid sensing of heavy metal contaminants by this regulatory protein.

  19. Development of Texas intense positron source

    NASA Astrophysics Data System (ADS)

    Köymen, A. R.; Ünlü, K.; Jacobsen, F. M.; Göktepeli, S.; Wehring, B. W.

    1999-02-01

    The Texas Intense Positron Source (TIPS) is a reactor-based low-energy positron beam facility utilizing some novel techniques in positron beam production. This facility will be located at the University of Texas (UT) at Austin Nuclear Engineering Teaching Laboratory (NETL) and is being developed by UT Austin and UT Arlington researchers. TIPS will use a large area (total area of 900-1800 cm 2) 64Cu source to supply fast β + particles for subsequent moderation to form an intense monoenergetic positron beam in the energy range of 0-50 keV with an expected intensity of 10 8 e +/s. Natural copper will be neutron activated near the core of the NETL 1 MW TRIGA Mark II research reactor to produce the 64Cu isotope. The activated source will be transported to the moderator/remoderator assembly, outside the biological shield of the reactor. This assembly combines the primary moderation and posterior remoderation of the fast β + particles into one stage using solid Kr to produce a low-energy positron source of a few eV with a diameter of 8 mm. The low-energy positron beam is then extracted by an electrostatic modified SOA gun and after further acceleration to 5 keV, the beam is focused onto the object slit of a 90° bending magnet. After further focusing and another 90° bend, the beam enters the main accelerator/decelerator that transports the beam onto the target for experimentation. The components of TIPS have been manufactured and are currently being optimized. In this communication we present some of the details of the TIPS facility and furthermore briefly discuss its intended applications.

  20. Role of direct reactivity with metals in chemoprotection by N-acetylcysteine against chromium(VI), cadmium(II) and cobalt(II)

    PubMed Central

    Luczak, Michal W.; Zhitkovich, Anatoly

    2013-01-01

    The antioxidant N-acetylcysteine (NAC) is widely used for the assessment of the role of reactive oxygen species (ROS) in various biological processes and adverse drug reactions. NAC has been found to effectively inhibit toxicity of carcinogenic metals, which was attributed to its potent ROS-suppressive properties. However, the absence of redox activity among some metals and findings from genetic models suggested a more diverse, smaller role of oxidative stress in metal toxicity. Here, we examined mechanisms of chemoprotection by NAC against Cd(II), Co(II) and Cr(VI) in human cells. We found that NAC displayed a broad-spectrum chemoprotective activity against all three metals, including suppression of cytotoxicity, apoptosis, p53 activation and HSP72 and HIF-1α upregulation. Cytoprotection by NAC was independent of cellular glutathione. NAC strongly inhibited uptake of all three metals in histologically different types of human cells, explaining its high chemoprotective potential. A loss of Cr(VI) accumulation by cells was caused by NAC-mediated extracellular reduction of chromate to membrane-impermeable Cr(III). Suppression of Co(II) uptake resulted from a rapid formation of Co(II)-NAC conjugates that were unable to enter cells. Our results demonstrate that NAC acts through more than one mechanism in preventing metal toxicity and its chemoprotective activity can be completely ROS-independent. A good clinical safety and effectiveness in Co(II) sequestration suggest that NAC could be useful for prevention of tissue accumulation and toxic effects of Co ions released by cobalt-chromium hip prostheses. PMID:23792775

  1. Role of direct reactivity with metals in chemoprotection by N-acetylcysteine against chromium(VI), cadmium(II), and cobalt(II).

    PubMed

    Luczak, Michal W; Zhitkovich, Anatoly

    2013-12-01

    The antioxidant N-acetylcysteine (NAC) is widely used for the assessment of the role of reactive oxygen species (ROS) in various biological processes and adverse drug reactions. NAC has been found to effectively inhibit the toxicity of carcinogenic metals, which was attributed to its potent ROS-suppressive properties. However, the absence of redox activity among some metals and findings from genetic models suggested a more diverse, smaller role of oxidative stress in metal toxicity. Here, we examined mechanisms of chemoprotection by NAC against Cd(II), Co(II), and Cr(VI) in human cells. We found that NAC displayed a broad-spectrum chemoprotective activity against all three metals, including suppression of cytotoxicity, apoptosis, p53 activation, and HSP72 and HIF-1α upregulation. Cytoprotection by NAC was independent of cellular glutathione. NAC strongly inhibited the uptake of all three metals in histologically different types of human cells, explaining its high chemoprotective potential. A loss of Cr(VI) accumulation by cells was caused by NAC-mediated extracellular reduction of chromate to membrane-impermeative Cr(III). Suppression of Co(II) uptake resulted from a rapid formation of Co(II)-NAC conjugates that were unable to enter cells. Our results demonstrate that NAC acts through more than one mechanism in preventing metal toxicity and its chemoprotective activity can be completely ROS-independent. Good clinical safety and effectiveness in Co(II) sequestration suggest that NAC could be useful in the prevention of tissue accumulation and toxic effects of Co ions released by cobalt-chromium hip prostheses.

  2. Correlations between metal spin states and vibrational spectra of a trinuclear Fe(II) complex exhibiting spin crossover

    NASA Astrophysics Data System (ADS)

    Gerasimova, Tatiana P.; Katsyuba, Sergey A.; Lavrenova, Ludmila G.; Pelmenschikov, Vladimir; Kaupp, Martin

    2015-12-01

    Combined IR spectroscopic/quantum-chemical analysis of a 4-propyl-1,2,4-triazole trinuclear Fe(II) complex capable of reversible thermal spin crossover has revealed mid-IR bands of the ligand sensitive to the Fe(II) spin state. The character of the correlations found between the intensity and peak position of the triazole bands and the spin state of the metal center depends neither on the identity of the metal nor on the nuclearity of the complex. The found spectral correlations therefore allow analysis of various similar complexes. This is illustrated by the example of experimental IR spectra reported earlier for Fe(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes with triazole ligands. Quantum-chemical IR spectral simulations further suggest that certain ligand bands vary between the states with the same total molecular spin, but different distribution of the spin density between the metal centers. However these variations are too subtle to discriminate between the spin transitions of the central and peripheral Fe(II) ions. The experimentally revealed mid-IR markers are therefore conclusive only for the total molecular spin.

  3. Alternative positron-target design for electron-positron colliders

    SciTech Connect

    Donahue, R.J. ); Nelson, W.R. )

    1991-04-01

    Current electron-positron linear colliders are limited in luminosity by the number of positrons which can be generated from targets presently used. This paper examines the possibility of using an alternate wire-target geometry for the production of positrons via an electron-induced electromagnetic cascade shower. 39 refs., 38 figs., 5 tabs.

  4. Liquid metal reactor deactivation as applied to the experimental breeder reactor - II.

    SciTech Connect

    Earle, O. K.; Michelbacher, J. A.; Pfannenstiel, D. F.; Wells, P. B.

    1999-05-28

    The Experimental Breeder Reactor-II (EBR-II) at Argonne National Laboratory-West (ANL-W) was shutdown in September, 1994. This sodium cooled reactor had been in service since 1964, and by the US Department of Energy (DOE) mandate, was to be placed in an industrially and radiologically safe condition for ultimate decommissioning. The deactivation of a liquid metal reactor presents unique concerns. The first major task associated with the project was the removal of all fueled assemblies. In addition, sodium must be drained from systems and processed for ultimate disposal. Residual quantities of sodium remaining in systems must be deactivated or inerted to preclude future hazards associated with pyrophoricity and generation of potentially explosive hydrogen gas. A Sodium Process Facility (SPF) was designed and constructed to react the elemental sodium from the EBR-II primary and secondary systems to sodium hydroxide for disposal. This facility has a design capacity to allow the reaction of the complete inventory of sodium at ANL-W in less than two years. Additional quantities of sodium from the Fermi-1 reactor are also being treated at the SPF.

  5. Synthesis, structure, and spectroscopic properties of ortho-metalated platinum(II) complexes

    SciTech Connect

    Mdleleni, M.M.; Bridgewater, J.S.; Watts, R.J.; Ford, P.C.

    1995-04-26

    The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured emissions in the solid state at ambient temperature and at 77 K and 77 K glassy toluene solutions. These emissions are proposed to originate from triplet MLCT states. Notably, in solution both the lifetime and spectrum of 2 proved to be a function of the concentration, a phenomenon interpreted in terms of the propensity of square planar d{sup 8} complexes to oligomerize. In contrast, the more sterically hindered complex 3 displayed no such tendency toward oligomerization.

  6. Microstructure Evaluation of Fe-BASED Amorphous Alloys Investigated by Doppler Broadening Positron Annihilation Technique

    NASA Astrophysics Data System (ADS)

    Lu, Wei; Huang, Ping; Wang, Yuxin; Yan, Biao

    2013-07-01

    Microstructure of Fe-based amorphous and nanocrystalline soft magnetic alloy has been investigated by X-ray diffraction (XRD), transmission electronic microscopy (TEM) and Doppler broadening positron annihilation technique (PAT). Doppler broadening measurement reveals that amorphous alloys (Finemet, Type I) which can form a nanocrystalline phase have more defects (free volume) than alloys (Metglas, Type II) which cannot form this microstructure. XRD and TEM characterization indicates that the nanocrystallization of amorphous Finemet alloy occurs at 460°C, where nanocrystallites of α-Fe with an average grain size of a few nanometers are formed in an amorphous matrix. With increasing annealing temperature up to 500°C, the average grain size increases up to around 12 nm. During the annealing of Finemet alloy, it has been demonstrated that positron annihilates in quenched-in defect, crystalline nanophase and amorphous-nanocrystalline interfaces. The change of line shape parameter S with annealing temperature in Finemet alloy is mainly due to the structural relaxation, the pre-nucleation of Cu nucleus and the nanocrystallization of α-Fe(Si) phase during annealing. This study throws new insights into positron behavior in the nanocrystallization of metallic glasses, especially in the presence of single or multiple nanophases embedded in the amorphous matrix.

  7. Positron clouds within thunderstorms

    NASA Astrophysics Data System (ADS)

    Dwyer, Joseph R.; Smith, David M.; Hazelton, Bryna J.; Grefenstette, Brian W.; Kelley, Nicole A.; Lowell, Alexander W.; Schaal, Meagan M.; Rassoul, Hamid K.

    2015-08-01

    We report the observation of two isolated clouds of positrons inside an active thunderstorm. These observations were made by the Airborne Detector for Energetic Lightning Emissions (ADELE), an array of six gamma-ray detectors, which flew on a Gulfstream V jet aircraft through the top of an active thunderstorm in August 2009. ADELE recorded two 511 keV gamma-ray count rate enhancements, 35 s apart, each lasting approximately 0.2 s. The enhancements, which were approximately a factor of 12 above background, were both accompanied by electrical activity as measured by a flat-plate antenna on the underside of the aircraft. The energy spectra were consistent with a source mostly composed of positron annihilation gamma rays, with a prominent 511 keV line clearly visible in the data. Model fits to the data suggest that the aircraft was briefly immersed in clouds of positrons, more than a kilometre across. It is not clear how the positron clouds were created within the thunderstorm, but it is possible they were caused by the presence of the aircraft in the electrified environment.

  8. Positron excitation of neon

    NASA Technical Reports Server (NTRS)

    Parcell, L. A.; Mceachran, R. P.; Stauffer, A. D.

    1990-01-01

    The differential and total cross section for the excitation of the 3s1P10 and 3p1P1 states of neon by positron impact were calculated using a distorted-wave approximation. The results agree well with experimental conclusions.

  9. Synthesis, characterization, electrochemical and biological studies on some metal(II) Schiff base complexes containing quinoxaline moiety

    NASA Astrophysics Data System (ADS)

    Justin Dhanaraj, Chellaian; Johnson, Jijo

    2014-01-01

    Novel Co(II), Ni(II), Cu(II) and Zn(II) complexes of Schiff base derived from quinoxaline-2,3-(1,4H)-dione and 4-aminoantipyrine (QDAAP) were synthesized. The ligand and its complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, FTIR, UV-Vis., mass and 1H NMR spectral studies. The X band ESR spectrum of the Cu(II) complex at 300 and 77 K were also recorded. Thermal studies of the ligand and its complexes show the presence of coordinated water in the Ni(II) and Zn(II) complexes. The coordination behavior of QDAAP is also discussed. All the complexes are mono nuclear and tetrahedral geometry was found for Co(II) complex. For the Ni(II) and Zn(II) complexes, octahedral geometry was assigned and for the Cu(II) complex, square planar geometry has been suggested. The grain size of the complexes was estimated using powder XRD. The surface morphology of the compounds was studied using SEM analysis. Electrochemical behavior of the synthesized complexes in DMF at room temperature was investigated by cyclic voltammetry. The in vitro biological screening of QDAAP and its metal complexes were tested against bacterial species Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. The fungal species include Aspergillus niger, Aspergillus flavus and Candida albicans. The DNA cleavage activity of QDAAP and its complexes were also discussed.

  10. Synthesis, characterization, electrochemical and biological studies on some metal(II) Schiff base complexes containing quinoxaline moiety.

    PubMed

    Dhanaraj, Chellaian Justin; Johnson, Jijo

    2014-01-24

    Novel Co(II), Ni(II), Cu(II) and Zn(II) complexes of Schiff base derived from quinoxaline-2,3-(1,4H)-dione and 4-aminoantipyrine (QDAAP) were synthesized. The ligand and its complexes were characterized by elemental analyses, molar conductance, magnetic susceptibility measurements, FTIR, UV-Vis., mass and (1)H NMR spectral studies. The X band ESR spectrum of the Cu(II) complex at 300 and 77K were also recorded. Thermal studies of the ligand and its complexes show the presence of coordinated water in the Ni(II) and Zn(II) complexes. The coordination behavior of QDAAP is also discussed. All the complexes are mono nuclear and tetrahedral geometry was found for Co(II) complex. For the Ni(II) and Zn(II) complexes, octahedral geometry was assigned and for the Cu(II) complex, square planar geometry has been suggested. The grain size of the complexes was estimated using powder XRD. The surface morphology of the compounds was studied using SEM analysis. Electrochemical behavior of the synthesized complexes in DMF at room temperature was investigated by cyclic voltammetry. The in vitro biological screening of QDAAP and its metal complexes were tested against bacterial species Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. The fungal species include Aspergillus niger, Aspergillus flavus and Candida albicans. The DNA cleavage activity of QDAAP and its complexes were also discussed.

  11. Positron spectroscopy of 2D materials using an advanced high intensity positron beam

    NASA Astrophysics Data System (ADS)

    McDonald, A.; Chirayath, V.; Lim, Z.; Gladen, R.; Chrysler, M.; Fairchild, A.; Koymen, A.; Weiss, A.

    An advanced high intensity variable energy positron beam(~1eV to 20keV) has been designed, tested and utilized for the first coincidence Doppler broadening (CDB) measurements on 6-8 layers graphene on polycrystalline Cu sample. The system is capable of simultaneous Positron annihilation induced Auger electron Spectroscopy (PAES) and CDB measurements giving it unparalleled sensitivity to chemical structure at external surfaces, interfaces and internal pore surfaces. The system has a 3m flight path up to a micro channel plate (MCP) for the Auger electrons emitted from the sample. This gives a superior energy resolution for PAES. A solid rare gas(Neon) moderator was used for the generation of the monoenergetic positron beam. The positrons were successfully transported to the sample chamber using axial magnetic field generated with a series of Helmholtz coils. We will discuss the PAES and coincidence Doppler broadening measurements on graphene -Cu sample and present an analysis of the gamma spectra which indicates that a fraction of the positrons implanted at energies 7-60eV can become trapped at the graphene/metal interface. This work was supported by NSF Grant No. DMR 1508719 and DMR 1338130.

  12. Studies on metal-organic frameworks of Cu(II) with isophthalate linkers for hydrogen storage.

    PubMed

    Yan, Yong; Yang, Sihai; Blake, Alexander J; Schröder, Martin

    2014-02-18

    Hydrogen (H2) is a promising alternative energy carrier because of its environmental benefits, high energy density, and abundance. However, development of a practical storage system to enable the "Hydrogen Economy" remains a huge challenge. Metal-organic frameworks (MOFs) are an important class of crystalline coordination polymers constructed by bridging metal centers with organic linkers. MOFs show promise for H2 storage owing to their high surface area and tuneable properties. In this Account, we summarize our research on novel porous materials with enhanced H2 storage properties and describe frameworks derived from 3,5-substituted dicarboxylates (isophthalates) that serve as versatile molecular building blocks for the construction of a range of interesting coordination polymers with Cu(II) ions. We synthesized a series of materials by connecting linear tetracarboxylate linkers to {Cu(II)2} paddlewheel moieties. These materials exhibit high structural stability and permanent porosity. Varying the organic linker modulates the pore size, geometry, and functionality to control the overall H2 adsorption. Our top-performing material in this series has a H2 storage capacity of 77.8 mg g(-1) at 77 K, 60 bar. H2 adsorption at low, medium, and high pressures correlates with the isosteric heat of adsorption, surface area, and pore volume, respectively. Another series, using tribranched C3-symmetric hexacarboxylate ligands with Cu(II), gives highly porous (3,24)-connected frameworks incorporating {Cu(II)2} paddlewheels. Increasing the length of the hexacarboxylate struts directly tunes the porosity of the resultant material from micro- to mesoporosity. These materials show exceptionally high H2 uptakes owing to their high surface area and pore volume. The first member of this family reported adsorbs 111 mg g(-1) of H2, or 55.9 g L(-1), at 77 K, 77 bar, while at 77 K, 1 bar, the material adsorbs 2.3 wt % H2. We and others have since achieved enhanced H2 adsorption in these

  13. Synthesis, characterization and biological activity of ferrocene-based Schiff base ligands and their metal (II) complexes

    NASA Astrophysics Data System (ADS)

    Liu, Yu-Ting; Lian, Gui-Dan; Yin, Da-Wei; Su, Bao-Jun

    Metal (II) complexes derived from S-benzyl-N-(1-ferrocenyl-3-(4-methylbenzene)acrylketone) dithiocarbazate; HL1, S-benzyl-N-(1-ferrocenyl-3-(4-chlorobenzene)acrylketone)dithiocarbazate; HL2, all the compounds were characterized using various spectroscopic techniques. The molar conductance data revealed that the chelates were non-electrolytes. IR spectra showed that the Schiff bases were coordinated to the metal ions in a bidentate manner with N, S donor sites. The ligands and their metal complexes have been screened for in vitro antibacterial, antifungal properties. The result of these studies have revealed that zinc (II) complexes 6 and 13 of both the ligands and copper (II) complexes 9 of the HL2 were observed to be the most active against all bacterial strains, antifungal activity was overall enhanced after complexation of the ligands.

  14. Synthesis, characterization and biological activity of ferrocene-based Schiff base ligands and their metal (II) complexes.

    PubMed

    Liu, Yu-Ting; Lian, Gui-Dan; Yin, Da-Wei; Su, Bao-Jun

    2013-01-01

    Metal (II) complexes derived from S-benzyl-N-(1-ferrocenyl-3-(4-methylbenzene)acrylketone) dithiocarbazate; HL(1), S-benzyl-N-(1-ferrocenyl-3-(4-chlorobenzene)acrylketone)dithiocarbazate; HL(2), all the compounds were characterized using various spectroscopic techniques. The molar conductance data revealed that the chelates were non-electrolytes. IR spectra showed that the Schiff bases were coordinated to the metal ions in a bidentate manner with N, S donor sites. The ligands and their metal complexes have been screened for in vitro antibacterial, antifungal properties. The result of these studies have revealed that zinc (II) complexes 6 and 13 of both the ligands and copper (II) complexes 9 of the HL(2) were observed to be the most active against all bacterial strains, antifungal activity was overall enhanced after complexation of the ligands.

  15. Changes in the adsorbate dipole layer with changing d-filling of the metal (II) (Co, Ni, Cu) phthalocyanines on Au(111).

    PubMed

    Xiao, Jie; Dowben, Peter A

    2009-02-01

    In combined photoemission and inverse photoemission spectroscopy studies, we observe changes in the metal phthalocyanine molecular orbital offsets with respect to the conducting gold substrate Fermi level, with the changing d-electron filling of the metal (II) (Co, Ni, Cu) phthalocyanines. The implication is that the interfacial dipole layer depends upon the choice of metal (Co, Ni, Cu) centers within the metal (II) phthalocyanines adsorbed on Au(111).

  16. Density functional theory study of oxygen-atom insertion into metal-methyl bonds of iron(II), ruthenium(II), and osmium(II) complexes: study of metal-mediated C-O bond formation.

    PubMed

    Pardue, Daniel B; Mei, Jiajun; Cundari, Thomas R; Gunnoe, T Brent

    2014-03-17

    Metal-mediated C-O bond formation is a key step in hydrocarbon oxygenation catalytic cycles; however, few examples of this reaction have been reported for low-oxidation-state complexes. Oxygen insertion into a metal-carbon bond of Cp*M(CO)(OPy)R (Cp* = η(5)-pentamethylcyclopentadienyl; R = Me, Ph; OPy = pyridine-N-oxide; M = Fe, Ru, Os) was analyzed via density functional theory calculations. Oxygen-atom insertions through a concerted single-step organometallic Baeyer-Villiger pathway and a two-step pathway via a metal-oxo intermediate were studied; calculations predict that the former pathway was lower in energy. The results indicated that functionalization of M-R to M-OR (R = Me, Ph) is plausible using iron(II) complexes. Starting from Cp*Fe(CO)(OPy)Ph, the intermediate Fe-oxo showed oxyl character and, thus, is best considered an Fe(III)O(•-) complex. Oxidation of the π-acid ancillary ligand CO was facile. Substitutions of CO with dimethylamide and NH3 were calculated to lower the activation barrier by ∼1-2 kcal/mol for formation of the Fe(III)O(•-) intermediate, whereas a chloride ligand raised the activation barrier to 26 kcal/mol from 22.9 kcal/mol. PMID:24571202

  17. Nearby Spiral Galaxy Globular Cluster Systems. II. Globular Cluster Metallicities in NGC 300

    NASA Astrophysics Data System (ADS)

    Nantais, Julie B.; Huchra, John P.; Barmby, Pauline; Olsen, Knut A. G.

    2010-03-01

    We present new metallicity estimates for globular cluster (GC) candidates in the Sd spiral NGC 300, one of the nearest spiral galaxies outside the Local Group. We have obtained optical spectroscopy for 44 Sculptor Group GC candidates with the Boller and Chivens (B&C) spectrograph on the Baade Telescope at Las Campanas Observatory. There are two GCs in NGC 253 and 12 objects in NGC 300 with globular-cluster-like spectral features, nine of which have radial velocities above 0 km s-1. The remaining three, due to their radial velocities being below the expected 95% confidence limit for velocities of NGC 300 halo objects, are flagged as possible foreground stars. The non-cluster-like candidates included 13 stars, 15 galaxies, and an H II region. One GC, four galaxies, two stars, and the H II region from our sample were identified in archival Hubble Space Telescope images. For the GCs, we measure spectral indices and estimate metallicities using an empirical calibration based on Milky Way GCs. The GCs of NGC 300 appear similar to those of the Milky Way. Excluding possible stars and including clusters from the literature, the GC system (GCS) has a velocity dispersion of 68 km s-1 and has no clear evidence of rotation. The mean metallicity for our full cluster sample plus one literature object is [Fe/H] = -0.94, lying above the relationship between mean GC metallicity and overall galaxy luminosity. Excluding the three low-velocity candidates, we obtain a mean [Fe/H] = -0.98, still higher than expected, raising the possibility of significant foreground star contamination even in this sample. Visual confirmation of genuine GCs using high-resolution space-based imagery could greatly reduce the potential problem of interlopers in small samples of GCSs in low-radial-velocity galaxies. Data for this project were obtained at the Baade 6.5 m telescope, Las Campanas Observatory, Chile. This publication makes use of data products from the Two Micron All Sky Survey, which is a joint

  18. A plasmid containing the human metallothionein II gene can function as an antibody-assisted electrophoretic biosensor for heavy metals.

    PubMed

    Wooten, Dennis C; Starr, Clarise R; Lyon, Wanda J

    2016-01-01

    Different forms of heavy metals affect biochemical systems in characteristic ways that cannot be detected with typical metal analysis methods like atomic absorption spectrometry. Further, using living systems to analyze interaction of heavy metals with biochemical systems can be laborious and unreliable. To generate a reliable easy-to-use biologically-based biosensor system, the entire human metallothionein-II (MT-II) gene was incorporated into a plasmid (pUC57-MT) easily replicated in Escherichia coli. In this system, a commercial polyclonal antibody raised against human metal-responsive transcription factor-1 protein (MTF-1 protein) could modify the electrophoretic migration patterns (i.e. cause specific decreases in agarose gel electrophoretic mobility) of the plasmid in the presence or absence of heavy metals other than zinc (Zn). In the study here, heavy metals, MTF-1 protein, and polyclonal anti-MTF-1 antibody were used to assess pUC57-MT plasmid antibody-assisted electrophoretic mobility. Anti-MTF-1 antibody bound both MTF-1 protein and pUC57-MT plasmid in a non-competitive fashion such that it could be used to differentiate specific heavy metal binding. The results showed that antibody-inhibited plasmid migration was heavy metal level-dependent. Zinc caused a unique mobility shift pattern opposite to that of other metals tested, i.e. Zn blocked the antibody ability to inhibit plasmid migration, despite a greatly increased affinity for DNA by the antibody when Zn was present. The Zn effect was reversed/modified by adding MTF-1 protein. Additionally, antibody inhibition of plasmid mobility was resistant to heat pre-treatment and trypsinization, indicating absence of residual DNA extraction-resistant bacterial DNA binding proteins. DNA binding by anti-DNA antibodies may be commonly enhanced by xenobiotic heavy metals and elevated levels of Zn, thus making them potentially effective tools for assessment of heavy metal bioavailability in aqueous solutions and

  19. Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(II) complexes.

    PubMed

    Massoud, Salah S; Spell, Mark; Ledet, Catherine C; Junk, Thomas; Herchel, Radovan; Fischer, Roland C; Trávníček, Zdeněk; Mautner, Franz A

    2015-02-01

    The reaction of a methanolic solution containing the bi-compartmental phenolic ligand 2,6-bis[bis(2-pyridylmethyl)aminomethyl]-4-chlorophenol (L(Cl)-OH) with MCl2·nH2O in the presence of NH4PF6 or NaClO4 afforded the dinuclear bridged-phenoxido dichlorido-metal(ii) complexes [Co2(μ-L(Cl)O)(H2O)2Cl2][Co2(μ-L(Cl)O)(MeOH)2Cl2](PF6)2 (), [Ni2(μ-L(Cl)O)(MeOH)2Cl2]PF6 (), [Ni2(μ-L(Cl)O)(MeOH)(H2O)Cl2]ClO4·1.25H2O (), [Cu2(μ-L(Cl)O)Cl2]PF6·1/2MeOH () and [Zn2(μ-L(Cl)O)Cl2]PF6·MeOH (). The complexes were characterized by elemental microanalyses, conductivity measurements, IR and UV-Vis spectroscopy, mass spectrometry and single crystal X-ray crystallography. Each M(ii) center within the dinuclear complex cations is octahedrally coordinated in complexes , and five-coordinated distorted square pyramidal in and . Magnetic susceptibility measurements at variable temperature of the complexes revealed weak to moderate antiferromagnetic coupling with |J| values = 8.38, 39.0, 30.2 and 0.79 cm(-1), respectively. The results of DFT calculations correlate well with the experimentally determined antiferromagnetic coupling and show that the magnetic exchange coupling occurs mainly through the phenoxido bridge M-O-M. Implications of geometry around the central metal ion, MM distance, M-O-M bond angle and overlapping of magnetic orbitals on the magnetic exchange coupling are discussed. PMID:25502556

  20. Assembly of three novel metal (II) complexes based on polycarboxylate and 1,10-phenanthroline ligands

    NASA Astrophysics Data System (ADS)

    Chen, Xiaoli; Qiao, Yali; Gao, Loujun; Cui, Huali; Zhang, Meili; Lv, Junfang

    2013-04-01

    With the principles of crystal engineering, three novel metal(II) complexes, [Cu2(betd)(phen)4].15H2O (1), [Cd4(betd)2(phen)8]ṡ28H2O (2) and {[Co2(betd)(phen)2(H2O)2]·2H2O}n (3) (H4betd = bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic acid, phen = 1,10-phenanthroline) were synthesized and structurally characterized by elemental analyses, IR spectroscopy, single-crystal X-ray diffraction analyses, TGA, powder XRD and fluorescent measurements. Complex 1 is a binuclear structure, novel water tapes are observed to be encapsulated in the 3D open supramolecular architecture by hydrogen bond interactions. In 2, two pairs of CdII ions joined with two (betd)4- ions to form a cyclic tetranuclear structure. The neighboring tetranuclear units are linked into 2D network through π⋯π stacking interactions. Interestingly, the lattice H2O molecules are joined by strong hydrogen bond interactions generating a wavy water layer, which contacts the 2D network to form 3D supramolecular structure. 3 shows a 2D (4, 4) grid network, which are assembled in an ABAB sequence to 3D supramolecular structures via π⋯π stacking interactions between two central phen ligands from two adjacent sheets and hydrogen bond interactions.

  1. A very metal poor H II region in the outer disk of M101

    NASA Technical Reports Server (NTRS)

    Garnett, Donald R.; Kennicutt, Robert C., Jr.

    1994-01-01

    We present new spectroscopic observations of an H II region in the extreme outer disk of the spiral galaxy M101, more than 32 kpc from the nucleus, or 25% farther out than the well-studied giant H II region NGC 5471. From a derived (O III) electron temperature of 13,900 K, we derive log O/H = -4.1, only 10% of the solar value, and smaller than the abundance measured in NGC 5471. Log N/O = -1.49, similar to the values seen in metal-poor dwarf galaxies, while log S/O = -1.74, essentially identical to the solar value, confirming the trend of constant S/O observed in earlier studies. With the inclusion of this new object, the composition gradient in M101 from published spectroscopic observations shows no evidence for either a break in the gradient from 4 to 33 kpc, or a rise in the abundances in the outer parts of the disk.

  2. Communication: Photoactivation of nucleobase bound platinumII metal complexes: Probing the influence of the nucleobase

    NASA Astrophysics Data System (ADS)

    Sen, Ananya; Dessent, Caroline E. H.

    2014-12-01

    We present UV laser action spectra (220-300 nm) of isolated nucleobase-bound PtII(CN)42- complexes, i.e., Pt(CN)42-ṡM, where M = uracil, thymine, cytosine, and adenine. These metal complex-nucleobase clusters represent model systems for identifying the fundamental photophysical and photochemical processes occurring in photodynamic platinum (II) drug therapies that target DNA. This is the first study to explore the specific role of the nucleobase in the photophysics of the aggregate complex. Each of the complexes studied displays a broadly similar absorption spectra, with a strong λmax ˜ 4.7 eV absorption band (nucleobase localized chromophore) and a subsequent increase in the absorption intensity towards higher spectral-energy (Pt(CN)42- localized chromophore). However, strikingly different band widths are observed across the series of complexes, decreasing in the order Pt(CN)42-ṡThymine > Pt(CN)42-ṡUracil > Pt(CN)42-ṡAdenine > Pt(CN)42-ṡCytosine. Changes in the bandwidth of the ˜4.7 eV band are accompanied by distinctive changes in the photofragment product ions observed following photoexcitation, with the narrower-bandwidth complexes showing a greater propensity to decay via electron detachment decay. We discuss these observations in the context of the distinctive nucleobase-dependent excited state lifetimes.

  3. Recovery of high-purity metallic Pd from Pd(II)-sorbed biosorbents by incineration.

    PubMed

    Won, Sung Wook; Lim, Areum; Yun, Yeoung-Sang

    2013-06-01

    This work reports a direct way to recover metallic palladium with high purity from Pd(II)-sorbed polyethylenimine-modified Corynebacterium glutamicum biosorbent using a combined method of biosorption and incineration. This study is focused on the incineration part which affects the purity of recovered Pd. The incineration temperature and the amount of Pd loaded on the biosorbent were considered as major factors in the incineration process, and their effects were examined. The results showed that both factors significantly affected the enhancement of the recovery efficiency and purity of the recovered Pd. SEM-EDX and XRD analyses were used to confirm that Pd phase existed in the ash. As a result, the recovered Pd was changed from PdO to zero-valent Pd as the incineration temperature was increased from 600 to 900°C. Almost 100% pure metallic Pd was recovered with recovery efficiency above 99.0% under the conditions of 900°C and 136.9 mg/g.

  4. Possible role of metal(II) octacyanomolybdate(IV) in chemical evolution: interaction with ribose nucleotides.

    PubMed

    Kumar, Anand; Kamaluddin

    2013-02-01

    We have proposed that double metal cyanide compounds (DMCs) might have played vital roles as catalysts in chemical evolution and the origin of life. We have synthesized a series of metal octacyanomolybdates (MOCMos) and studied their interactions with ribose nucleotides. MOCMos have been shown to be effective adsorbents for 5'-ribonucleotides. The maximum adsorption level was found to be about 50 % at neutral pH under the conditions studied. The zinc(II) octacyanomolybdate(IV) showed larger adsorption compared to other MOCMos. The surface area seems to important parameter for the adsorption of nucleotides. The adsorption followed a Langmuir adsorption isotherms with an overall adsorption trends of the order of 5'-GMP > 5'-AMP > 5'-CMP > 5'-UMP. Purine nucleotides were adsorbed more strongly than pyrimidine nucleotides on all MOCMos possibly because of the additional binding afforded by the imidazole ring in purines. Infrared spectral studies of adsorption adducts indicate that adsorption takes place through interaction between adsorbate molecules and outer divalent ions of MOCMos.

  5. Metal Binding in Photosystem II Super- and Subcomplexes from Barley Thylakoids.

    PubMed

    Schmidt, Sidsel Birkelund; Persson, Daniel Pergament; Powikrowska, Marta; Frydenvang, Jens; Schjoerring, Jan K; Jensen, Poul Erik; Husted, Søren

    2015-08-01

    Metals exert important functions in the chloroplast of plants, where they act as cofactors and catalysts in the photosynthetic electron transport chain. In particular, manganese (Mn) has a key function because of its indispensable role in the water-splitting reaction of photosystem II (PSII). More and better knowledge is required on how the various complexes of PSII are affected in response to, for example, nutritional disorders and other environmental stress conditions. We here present, to our knowledge, a new method that allows the analysis of metal binding in intact photosynthetic complexes of barley (Hordeum vulgare) thylakoids. The method is based on size exclusion chromatography coupled to inductively coupled plasma triple-quadrupole mass spectrometry. Proper fractionation of PSII super- and subcomplexes was achieved by critical selection of elution buffers, detergents for protein solubilization, and stabilizers to maintain complex integrity. The applicability of the method was shown by quantification of Mn binding in PSII from thylakoids of two barley genotypes with contrasting Mn efficiency exposed to increasing levels of Mn deficiency. The amount of PSII supercomplexes was drastically reduced in response to Mn deficiency. The Mn efficient genotype bound significantly more Mn per unit of PSII under control and mild Mn deficiency conditions than the inefficient genotype, despite having lower or similar total leaf Mn concentrations. It is concluded that the new method facilitates studies of the internal use of Mn and other biometals in various PSII complexes as well as their relative dynamics according to changes in environmental conditions. PMID:26084923

  6. Possible Role of Metal(II) Octacyanomolybdate(IV) in Chemical Evolution: Interaction with Ribose Nucleotides

    NASA Astrophysics Data System (ADS)

    Kumar, Anand; Kamaluddin

    2013-02-01

    We have proposed that double metal cyanide compounds (DMCs) might have played vital roles as catalysts in chemical evolution and the origin of life. We have synthesized a series of metal octacyanomolybdates (MOCMos) and studied their interactions with ribose nucleotides. MOCMos have been shown to be effective adsorbents for 5'-ribonucleotides. The maximum adsorption level was found to be about 50 % at neutral pH under the conditions studied. The zinc(II) octacyanomolybdate(IV) showed larger adsorption compared to other MOCMos. The surface area seems to important parameter for the adsorption of nucleotides. The adsorption followed a Langmuir adsorption isotherms with an overall adsorption trends of the order of 5'-GMP > 5'-AMP > 5'-CMP > 5'-UMP. Purine nucleotides were adsorbed more strongly than pyrimidine nucleotides on all MOCMos possibly because of the additional binding afforded by the imidazole ring in purines. Infrared spectral studies of adsorption adducts indicate that adsorption takes place through interaction between adsorbate molecules and outer divalent ions of MOCMos.

  7. Metal Binding in Photosystem II Super- and Subcomplexes from Barley Thylakoids1

    PubMed Central

    Schmidt, Sidsel Birkelund; Persson, Daniel Pergament; Powikrowska, Marta; Frydenvang, Jens; Schjoerring, Jan K.; Jensen, Poul Erik; Husted, Søren

    2015-01-01

    Metals exert important functions in the chloroplast of plants, where they act as cofactors and catalysts in the photosynthetic electron transport chain. In particular, manganese (Mn) has a key function because of its indispensable role in the water-splitting reaction of photosystem II (PSII). More and better knowledge is required on how the various complexes of PSII are affected in response to, for example, nutritional disorders and other environmental stress conditions. We here present, to our knowledge, a new method that allows the analysis of metal binding in intact photosynthetic complexes of barley (Hordeum vulgare) thylakoids. The method is based on size exclusion chromatography coupled to inductively coupled plasma triple-quadrupole mass spectrometry. Proper fractionation of PSII super- and subcomplexes was achieved by critical selection of elution buffers, detergents for protein solubilization, and stabilizers to maintain complex integrity. The applicability of the method was shown by quantification of Mn binding in PSII from thylakoids of two barley genotypes with contrasting Mn efficiency exposed to increasing levels of Mn deficiency. The amount of PSII supercomplexes was drastically reduced in response to Mn deficiency. The Mn efficient genotype bound significantly more Mn per unit of PSII under control and mild Mn deficiency conditions than the inefficient genotype, despite having lower or similar total leaf Mn concentrations. It is concluded that the new method facilitates studies of the internal use of Mn and other biometals in various PSII complexes as well as their relative dynamics according to changes in environmental conditions. PMID:26084923

  8. Generation of monoenergetic positrons

    SciTech Connect

    Hulett, L.D. Jr.; Dale, J.M.; Miller, P.D. Jr.; Moak, C.D.; Pendyala, S.; Triftshaeuser, W.; Howell, R.H.; Alvarez, R.A.

    1983-01-01

    Many experiments have been performed in the generation and application of monoenergetic positron beams using annealed tungsten moderators and fast sources of /sup 58/Co, /sup 22/Na, /sup 11/C, and LINAC bremstrahlung. This paper will compare the degrees of success from our various approaches. Moderators made from both single crystal and polycrystal tungsten have been tried. Efforts to grow thin films of tungsten to be used as transmission moderators and brightness enhancement devices are in progress.

  9. Ceramics reinforced metal base composite coatings produced by CO II laser cladding

    NASA Astrophysics Data System (ADS)

    Yang, Xichen; Wang, Yu; Yang, Nan

    2008-03-01

    Due to the excellent performance in high strength, anti-temperature and anti-wear, ceramics reinforced metal base composite material was used in some important fields of aircraft, aerospace, automobile and defense. The traditional bulk metal base composite materials are the expensive cost, which is limited in its industrial application. Development of laser coating of ceramics reinforced metal base composite is very interesting in economy. This paper is focused on three laser cladding ceramics coatings of SiC particle /Al matrix , Al IIO 3 powder/ Al matrix and WC + Co/mild steel matrix. Powder particle sizes are of 10-60μm. Chemical contents of aluminum matrix are of 3.8-4.0% Cu, 1.2-1.8% Mg, 0.3-0.99% Mn and balance Al. 5KW CO II laser, 5 axes CNC table, JKF-6 type powder feeder and co-axis feeder nozzle are used in laser cladding. Microstructure and performance of laser composite coatings have been respectively examined with OM,SEM and X-ray diffraction. Its results are as follows : Microstructures of 3C-,6H- and 5H- SiC particles + Al + Al 4SiC 4 + Si in SiC/Al composite, hexagonal α-Al IIO 3 + cubic γ-Al IIO 3 + f.c.c Al in Al IIO 3 powder/ Al composite and original WC particles + separated WC particles + eutectic WC + γ-Co solid solution + W IIC particles in WC + Co/steel coatings are respectively recognized. New microstructures of 5H-SiC in SiC/Al composite, cubic γ-Al IIO 3 in Al IIO 3 composite and W IIC in WC + Co/ steel composite by laser cladding have been respectively observed.

  10. Clinical applications with the HIDAC positron camera

    NASA Astrophysics Data System (ADS)

    Frey, P.; Schaller, G.; Christin, A.; Townsend, D.; Tochon-Danguy, H.; Wensveen, M.; Donath, A.

    1988-06-01

    A high density avalanche chamber (HIDAC) positron camera has been used for positron emission tomographic (PET) imaging in three different human studies, including patients presenting with: (I) thyroid diseases (124 cases); (II) clinically suspected malignant tumours of the pharynx or larynx (ENT) region (23 cases); and (III) clinically suspected primary malignant and metastatic tumours of the liver (9 cases, 19 PET scans). The positron emitting radiopharmaceuticals used for the three studies were Na 124I (4.2 d half-life) for the thyroid, 55Co-bleomycin (17.5 h half-life) for the ENT-region and 68Ga-colloid (68 min half-life) for the liver. Tomographic imaging was performed: (I) 24 h after oral Na 124I administration to the thyroid patients, (II) 18 h after intraveneous administration of 55Co-bleomycin to the ENT patients and (III) 20 min following the intraveneous injection of 68Ga-colloid to the liver tumour patients. Three different imaging protocols were used with the HIDAC positron camera to perform appropriate tomographic imaging in each patient study. Promising results were obtained in all three studies, particularly in tomographic thyroid imaging, where a significant clinical contribution is made possible for diagnosis and therapy planning by the PET technique. In the other two PET studies encouraging results were obtained for the detection and precise localisation of malignant tumour disease including an estimate of the functional liver volume based on the reticulo-endothelial-system (RES) of the liver, obtained in vivo, and the three-dimensional display of liver PET data using shaded graphics techniques. The clinical significance of the overall results obtained in both the ENT and the liver PET study, however, is still uncertain and the respective role of PET as a new imaging modality in these applications is not yet clearly established. To appreciate the clinical impact made by PET in liver and ENT malignant tumour staging needs further investigation

  11. Synthesis, characterization and electrical properties of peripherally tetra-aldazine substituted novel metal free phthalocyanine and its zinc(II) and nickel(II) complexes.

    PubMed

    Bayrak, Rıza; Dumludağ, Fatih; Akçay, Hakkı Türker; Değirmencioğlu, İsmail

    2013-03-15

    The novel phthalonitrile containing azine segment and its corresponding tetra aldazine substituted metal free- and metallo-phthalocyanines (Zn(II) and Ni(II)) were synthesized and characterized by IR, (1)H NMR, Mass, UV-Vis spectroscopy and elemental analysis and addition to these techniques for substituted phthalonitrile (13)C NMR have been used. In addition, dc and ac electrical properties of the films of these novel phthalocyanines were investigated as a function of temperature (295-523 K) and frequency (40-10(5)Hz). Activation energy values of the films of the phthalocyanines were calculated from straight portions of the Arrhenius plot (lnσ(dc)-1/T curves) as 0.70 eV, 0.93 eV and 0.91 eV for the films of metal free, nickel- and zinc-phthalocyanines, respectively. From impedance spectroscopy measurements, it is observed that bulk resistance decreases with increasing temperature indicating semiconductor property.

  12. Applications and advances of positron beam spectroscopy: appendix a

    SciTech Connect

    Howell, R. H., LLNL

    1997-11-05

    Over 50 scientists from DOE-DP, DOE-ER, the national laboratories, academia and industry attended a workshop held on November 5-7, 1997 at Lawrence Livermore National Laboratory jointly sponsored by the DOE-Division of Materials Science, The Materials Research Institute at LLNL and the University of California Presidents Office. Workshop participants were charged to address two questions: Is there a need for a national center for materials analysis using positron techniques and can the capabilities at Lawrence Livermore National Laboratory serve this need. To demonstrate the need for a national center the workshop participants discussed the technical advantages enabled by high positron currents and advanced measurement techniques, the role that these techniques will play in materials analysis and the demand for the data. There were general discussions lead by review talks on positron analysis techniques, and their applications to problems in semiconductors, polymers and composites, metals and engineering materials, surface analysis and advanced techniques. These were followed by focus sessions on positron analysis opportunities in these same areas. Livermore now leads the world in materials analysis capabilities by positrons due to developments in response to demands of science based stockpile stewardship. There was a detailed discussion of the LLNL capabilities and a tour of the facilities. The Livermore facilities now include the worlds highest current beam of keV positrons, a scanning pulsed positron microprobe under development capable of three dimensional maps of defect size and concentration, an MeV positron beam for defect analysis of large samples, and electron momentum spectroscopy by positrons. This document is a supplement to the written summary report. It contains a complete schedule, list of attendees and the vuegraphs for the presentations in the review and focus sessions.

  13. Metals affect the structure and activity of human plasminogen activator inhibitor-1. II. Binding affinity and conformational changes

    PubMed Central

    Thompson, Lawrence C; Goswami, Sumit; Peterson, Cynthia B

    2011-01-01

    Human plasminogen activator inhibitor type 1 (PAI-1) is a serine protease inhibitor with a metastable active conformation. The lifespan of the active form of PAI-1 is modulated via interaction with the plasma protein, vitronectin, and various metal ions. These metal ions fall into two categories: Type I metals, including calcium, magnesium, and manganese, stabilize PAI-1 in the absence of vitronectin, whereas Type II metals, including cobalt, copper, and nickel, destabilize PAI-1 in the absence of vitronectin, but stabilize PAI-1 in its presence. To provide a mechanistic basis for understanding the unusual modulation of PAI-1 structure and activity, the binding characteristics and conformational effects of these two types of metals were further evaluated. Steady-state binding measurements using surface plasmon resonance indicated that both active and latent PAI-1 exhibit a dissociation constant in the low micromolar range for binding to immobilized nickel. Stopped-flow measurements of approach-to-equilibrium changes in intrinsic protein fluorescence indicated that the Type I and Type II metals bind in different modes that induce distinct conformational effects on PAI-1. Changes in the observed rate constants with varying concentrations of metal allowed accurate determination of binding affinities for cobalt, nickel, and copper, yielding dissociation constants of ∼40, 30, and 0.09 μM, respectively. Competition experiments that tested effects on PAI-1 stability were consistent with these measurements of affinity and indicate that copper binds tightly to PAI-1. PMID:21280128

  14. Positron lifetime spectrometer using a DC positron beam

    DOEpatents

    Xu, Jun; Moxom, Jeremy

    2003-10-21

    An entrance grid is positioned in the incident beam path of a DC beam positron lifetime spectrometer. The electrical potential difference between the sample and the entrance grid provides simultaneous acceleration of both the primary positrons and the secondary electrons. The result is a reduction in the time spread induced by the energy distribution of the secondary electrons. In addition, the sample, sample holder, entrance grid, and entrance face of the multichannel plate electron detector assembly are made parallel to each other, and are arranged at a tilt angle to the axis of the positron beam to effectively separate the path of the secondary electrons from the path of the incident positrons.

  15. Novel M(II)-Hg(II) coordination polymers generated from metal-containing building blocks M(2-pyrazinecarboxylate) 2 · (H 2O) 2 (M=Cu, Ni, Co) and HgCl 2

    NASA Astrophysics Data System (ADS)

    Dong, Yu-Bin; Smith, Mark D.; zur Loye, Hans-Conrad

    2000-12-01

    A new class of M(II)-Hg(II) (M=Cu(II), Co(II), Ni(II)) mixed-metal coordination polymers, Cu(2-pyrazinecarboxylate) 2HgCl 2 ( 4), [Co(2-pyrazinecarboxylate) 2(HgCl 2) 2] · 0.61H 2O ( 5) and [Ni(2-pyrazinecarboxylate) 2(HgCl 2) 2] · 0.77H 2O ( 6), have been prepared by self assembly of metal-containing building blocks, M(2-pyrazinecarboxylate) 2 · (H 2O) 2 (M=Cu(II), Co(II), Ni(II)), with HgCl 2. Compounds 4- 6 were characterized fully by IR, elemental analysis and single crystal X-ray diffraction. Compound 4 crystallized in the monoclinic space group C2/ c, with a=17.916(5) Å, b=7.223(2) Å, c=13.335(4) Å, β=128.726(3)°, V=1346.2(6) Å 3, Z=4. It contains alternating Hg(II) and Cu(II) metal centers that are cross-linked by 2-pyrazinecarboxylate spacers and chlorine co-ligands to generate a unique three-dimensional Hg(II)-Cu(II) mixed metal framework. Compound 5 crystallized in the triclinic space group P1¯, with a=6.3879(7) Å, b=6.6626(8) Å, c=13.2286(15) Å, α=96.339(2)°, β=91.590(2)°, γ=113.462(2)°, V=511.71(10) Å 3, Z=1. Compound 6 also crystallized in the triclinic space group P1¯, with a=6.3543(8) Å, b=6.6194(8) Å, c=13.2801(16) Å, α=96.449(2)°, β=92.263(2)°, γ=113.541(2)°, V=506.67(11) Å 3, Z=1. Compounds 5 and 6 are isostructural and in the solid state the Hg(II)⋯M(II)⋯Hg(II) units are connected by Hg 2Cl 2 linkages to produce a novel M(II)-Hg(II) (MCo(II), Ni(II)) zigzag mixed-metal chain, in which a new type of M-M'-M'-M array was observed. The metal containing building blocks, M(2-pyrazinecarboxylate) 2 · (H 2O) 2 (MCu(II), Co(II), Ni(II)), exhibit different connectivities to HgCl 2 depending on the metal cation contained within them.

  16. Spectroscopic and thermal properties of short wavelength metal (II) complexes containing α-isoxazolylazo-β-diketones as co-ligands

    NASA Astrophysics Data System (ADS)

    Huang, Fuxin; Wu, Yiqun; Gu, Donghong; Gan, Fuxi

    2005-10-01

    Two new azo dyes of α-isoxazolylazo-β-diketones and their Ni(II) and Cu(II) complexes with blue-violet light wavelength were synthesized using a coupling component, different diazo components and metal (II) ions (Ni 2+ and Cu 2+). Based on the elemental analysis, MS spectra and FT-IR spectral analyses, azo dyes were unequivocally shown to exist as hydrazoketo and azoenol forms which were respectively obtained from the solution forms and from the solid forms. The action of sodium methoxide (NaOMe) on azo dyes in solutions converts hydrazoketo form into azoenol form, so azo dyes are coordinated with metal (II) ions as co-ligands in the azoenol forms. The solubility of all the compounds in common organic solvents such as 2,2,3,3-tetrafluoro-1-propanol (TFP) or chloroform (CHCl 3) and absorption properties of spin-coating thin films were measured. The difference of absorption maxima from the complexes to their ligands was discussed. In addition, the TG analysis of the complexes was also determined, and their thermal stability was evaluated. It is found that these new metal (II) complexes had potential application for high-density digital versatile disc-recordable (HD-DVD-R) system due to their good solubility in organic solvents, reasonable and controllable absorption spectra in blue-violet light region and high thermal stability.

  17. Photochemical behavior of antibiotics impacted by complexation effects of concomitant metals: a case for ciprofloxacin and Cu(II).

    PubMed

    Wei, Xiaoxuan; Chen, Jingwen; Xie, Qing; Zhang, Siyu; Li, Yingjie; Zhang, Yifei; Xie, Hongbin

    2015-07-01

    Many water bodies, especially those adjacent to aquaculture and livestock breeding areas, are contaminated by both antibiotics and transition metals. However, the effects of the interaction between antibiotics and transition metals on the environmental behavior and the ecotoxicology of antibiotics are largely unknown. We hypothesized that antibiotics may coordinately bind with metal ions, and this complexation may affect the environmental photochemical behavior of antibiotics. We took ciprofloxacin (CIP) and Cu(ii) as a case, and employed simulated sunlight experiments and density functional theory calculations to investigate the underlying reaction mechanisms. The results showed that monovalent cationic ciprofloxacin (H2CIP(+)) that is predominant in the normal pH range (6-9) of surface waters can chelate with hydrated Cu(ii) to form [Cu(H2CIP)(H2O)4](3+). Compared with H2CIP(+), [Cu(H2CIP)(H2O)4](3+) has different molecular orbitals, and atomic charge distribution. As a result, [Cu(H2CIP)(H2O)4](3+) showed dissimilar light absorption properties, slower direct photolytic rates, lower (1)O2 generation ability and weaker reactivity towards (1)O2. Due to the Cu(ii) complexation, the apparent photodegradation of H2CIP(+) was inhibited, and the photolytic pathways and product distribution were altered. This study implies that for an accurate ecological risk assessment of antibiotics under transition metal co-contamination conditions, the effects of metal complexation should be considered. PMID:26114263

  18. Formation of layered Fe(II)-hydroxides during Fe(II) sorption onto clay and metal-oxide substrates.

    PubMed

    Zhu, Ying; Elzinga, Evert J

    2014-05-01

    Sorption of Fe(II) in anoxic aqueous suspensions of γ-Al2O3, smectitic clay and amorphous silica was studied as a function of pH (5.0-10.0) and reaction time (up to 110 days), using batch experiments complemented with synchrotron X-ray absorption spectroscopic analyses. Formation of secondary Fe(II) precipitates was observed at pH > 7 in all systems, with the rate of precipitation and the types of precipitates formed varying with pH and substrate type. Sorption of Fe(II) on γ-Al2O3 at pH ≥ 7.0 and onto clay at pH 7.0 and 7.5 led to formation of Fe(II)-Al(III) layered double hydroxides, whereas poorly crystalline trioctahedral Fe(II)-phyllosilicates formed in the amorphous SiO2 suspensions at pH > 7.5 and in the clay suspensions at pH 8.0. The rate and extent of Fe(II) sorption increased with pH, underscoring the importance of pH in regulating precipitate formation. Notably slower Fe(II) precipitation in the clay suspensions compared to γ-Al2O3 and SiO2 is attributed to relatively low availability of substrate-derived Al and Si. Our findings demonstrate that sorbent type, pH and reaction time are important factors affecting precipitation of secondary Fe(II) minerals in anoxic environments, and suggest substantial complexity in the type and reactivity of Fe(II) sorption products that may form.

  19. Nonlinear positron acoustic solitary waves

    SciTech Connect

    Tribeche, Mouloud; Aoutou, Kamel; Younsi, Smain; Amour, Rabia

    2009-07-15

    The problem of nonlinear positron acoustic solitary waves involving the dynamics of mobile cold positrons is addressed. A theoretical work is presented to show their existence and possible realization in a simple four-component plasma model. The results should be useful for the understanding of the localized structures that may occur in space and laboratory plasmas as new sources of cold positrons are now well developed.

  20. The ATLAS Positron Experiment -- APEX

    SciTech Connect

    Ahmad, I.; Back, B.B.; Betts, R.R.; Dunford, R.; Kutschera, W.; Rhein, M.D.; Schiffer, J.P.; Wilt, P.; Wuosmaa, A.; Austin, S.M.; Kashy, E.; Winfield, J.S.; Yurkon, J.E.; Bazin, D.; Calaprice, F.P.; Young, A.; Chan, K.C.; Chisti, A.; Chowhury, P.; Greenberg, J.S.; Kaloskamis, N.; Lister, C.J.; Fox, J.D.; Roa, E.; Freedman, S.; Maier, M.R.; Freer, M.; Gazes, S.; Hallin, A.L.; Liu, M.; Happ, T.; Perera, A.; Wolfs, F.L.H.; Trainor, T.; Wolanski, M. |

    1994-03-01

    APEX -- the ATLAS Positron Experiment -- is designed to measure electrons and positrons emitted in heavy-ion collisions. Its scientific goal is to gain insight into the puzzling positron-line phenomena observed at the GSI Darmstadt. It is in operation at the ATLAS accelerator at Argonne National Lab. The assembly of the apparatus is finished and beginning 1993 the first positrons produced in heavy-ion collisions were observed. The first full scale experiment was carried out in December 1993, and the data are currently being analyzed. In this paper, the principles of operation are explained and a status report on the experiment is given.

  1. Laser Created Relativistic Positron Jets

    SciTech Connect

    Chen, H; Wilks, S C; Meyerhofer, D D; Bonlie, J; Chen, C D; Chen, S N; Courtois, C; Elberson, L; Gregori, G; Kruer, W; Landoas, O; Mithen, J; Murphy, C; Nilson, P; Price, D; Scheider, M; Shepherd, R; Stoeckl, C; Tabak, M; Tommasini, R; Beiersdorder, P

    2009-10-08

    Electron-positron jets with MeV temperature are thought to be present in a wide variety of astrophysical phenomena such as active galaxies, quasars, gamma ray bursts and black holes. They have now been created in the laboratory in a controlled fashion by irradiating a gold target with an intense picosecond duration laser pulse. About 10{sup 11} MeV positrons are emitted from the rear surface of the target in a 15 to 22-degree cone for a duration comparable to the laser pulse. These positron jets are quasi-monoenergetic (E/{delta}E {approx} 5) with peak energies controllable from 3-19 MeV. They have temperatures from 1-4 MeV in the beam frame in both the longitudinal and transverse directions. Positron production has been studied extensively in recent decades at low energies (sub-MeV) in areas related to surface science, positron emission tomography, basic antimatter science such as antihydrogen experiments, Bose-Einstein condensed positronium, and basic plasma physics. However, the experimental tools to produce very high temperature positrons and high-flux positron jets needed to simulate astrophysical positron conditions have so far been absent. The MeV temperature jets of positrons and electrons produced in our experiments offer a first step to evaluate the physics models used to explain some of the most energetic phenomena in the universe.

  2. Synthesis of N4 donor macrocyclic Schiff base ligands and their Ru (II), Pd (II), Pt (II) metal complexes for biological studies and catalytic oxidation of didanosine in pharmaceuticals

    NASA Astrophysics Data System (ADS)

    Ravi krishna, E.; Muralidhar Reddy, P.; Sarangapani, M.; Hanmanthu, G.; Geeta, B.; Shoba Rani, K.; Ravinder, V.

    2012-11-01

    A series of tetraaza (N4 donor) macrocyclic ligands (L1-L4) were derived from the condensation of o-phthalaldehyde (OPA) with some substituted aromatic amines/azide, and subsequently used to synthesize the metal complexes of Ru(II), Pd(II) and Pt(II). The structures of macrocyclic ligands and their metal complexes were characterized by elemental analyses, IR, 1H &13C NMR, mass and electronic spectroscopy, thermal, magnetic and conductance measurements. Both the ligands and their complexes were screened for their antibacterial activities against Gram positive and Gram negative bacteria by MIC method. Besides, these macrocyclic complexes were investigated as catalysts in the oxidation of pharmaceutical drug didanosine. The oxidized products were further treated with sulphanilic acid to develop the colored products to determine by spectrophotometrically. The current oxidation method is an environmentally friendly, simple to set-up, requires short reaction time, produces high yields and does not require co-oxidant.

  3. Robust Type-II Weyl Semimetal Phase in Transition Metal Diphosphides XP_{2} (X=Mo, W).

    PubMed

    Autès, G; Gresch, D; Troyer, M; Soluyanov, A A; Yazyev, O V

    2016-08-01

    The recently discovered type-II Weyl points appear at the boundary between electron and hole pockets. Type-II Weyl semimetals that host such points are predicted to exhibit a new type of chiral anomaly and possess thermodynamic properties very different from their type-I counterparts. In this Letter, we describe the prediction of a type-II Weyl semimetal phase in the transition metal diphosphides MoP_{2} and WP_{2}. These materials are characterized by relatively simple band structures with four pairs of type-II Weyl points. Neighboring Weyl points have the same chirality, which makes the predicted topological phase robust with respect to small perturbations of the crystalline lattice. In addition, this peculiar arrangement of the Weyl points results in long topological Fermi arcs, thus making them readily accessible in angle-resolved photoemission spectroscopy. PMID:27541470

  4. Robust Type-II Weyl Semimetal Phase in Transition Metal Diphosphides X P2 (X =Mo , W)

    NASA Astrophysics Data System (ADS)

    Autès, G.; Gresch, D.; Troyer, M.; Soluyanov, A. A.; Yazyev, O. V.

    2016-08-01

    The recently discovered type-II Weyl points appear at the boundary between electron and hole pockets. Type-II Weyl semimetals that host such points are predicted to exhibit a new type of chiral anomaly and possess thermodynamic properties very different from their type-I counterparts. In this Letter, we describe the prediction of a type-II Weyl semimetal phase in the transition metal diphosphides MoP2 and WP2 . These materials are characterized by relatively simple band structures with four pairs of type-II Weyl points. Neighboring Weyl points have the same chirality, which makes the predicted topological phase robust with respect to small perturbations of the crystalline lattice. In addition, this peculiar arrangement of the Weyl points results in long topological Fermi arcs, thus making them readily accessible in angle-resolved photoemission spectroscopy.

  5. The hot DOA1 degenerate HZ 21 - A search for circumstellar/photospheric metals and peculiar absorption at He II

    NASA Technical Reports Server (NTRS)

    Fritz, M. L.; Leckenby, H.; Sion, E. M.; Vauclair, G.; Liebert, J.

    1990-01-01

    A high-resolution IUE spectrum of the hot DO1 degenerate HZ 21 was obtained by combining US1 + European 2 low-background observing shifts. The SWP image reveals a rich spectrum of interstellar absorption lines with an average velocity in the line of sight to HZ 21 of -30 km/s. However, there is no clear evidence of any highly or lowly ionized metal features which could be attributed to circumstellar, wind, or photospheric absorption. There is, however, a broad absorption trough at He II (1640) which was not unexpected, given the clear presence of He II (4686) absorption in this star's optical spectrum. The velocity width of He II (1640) appears consistent with photospheric absorption wings which appear to flank the geocoronal Ly-alpha emission feature. The He II (1640) feature reveals what appears to be a broad (310 km/s) emission reversal. Evidence is provided that the emission reversal is probably real.

  6. Positron Emission Tomography (PET)

    SciTech Connect

    Welch, M.J.

    1990-01-01

    Positron emission tomography (PET) assesses biochemical processes in the living subject, producing images of function rather than form. Using PET, physicians are able to obtain not the anatomical information provided by other medical imaging techniques, but pictures of physiological activity. In metaphoric terms, traditional imaging methods supply a map of the body's roadways, its, anatomy; PET shows the traffic along those paths, its biochemistry. This document discusses the principles of PET, the radiopharmaceuticals in PET, PET research, clinical applications of PET, the cost of PET, training of individuals for PET, the role of the United States Department of Energy in PET, and the futures of PET. 22 figs.

  7. Quantum positron acoustic waves

    SciTech Connect

    Metref, Hassina; Tribeche, Mouloud

    2014-12-15

    Nonlinear quantum positron-acoustic (QPA) waves are investigated for the first time, within the theoretical framework of the quantum hydrodynamic model. In the small but finite amplitude limit, both deformed Korteweg-de Vries and generalized Korteweg-de Vries equations governing, respectively, the dynamics of QPA solitary waves and double-layers are derived. Moreover, a full finite amplitude analysis is undertaken, and a numerical integration of the obtained highly nonlinear equations is carried out. The results complement our previously published results on this problem.

  8. Positron impact ionisation phenomena

    NASA Astrophysics Data System (ADS)

    Moxom, J.

    A magnetically guided beam of nearly-monoenergetic slow positrons has been used to study positron impact ionisation phenomena in gases. A novel hemispherical scattering cell incorporating an efficient ion extraction and detection system has been developed and has been utilised throughout this work. The energy spectra for the electrons ejected around 0° relative to the incident beam, following positron impact ionisation of Ar, have been measured by a time-of-flight method and a retarding electric field analyzer. The angular acceptance of the electron detection system has been estimated and used to compare the measured spectra with the double differential cross-sections calculated by Mandal et al (1986), Sil et al (1991) and Schultz and Reinhold (1990). The importance of the electron-capture-to-the-continuum process is discussed in this context and found to be minor at small forward angles, in contrast to the case of heavy positively charged projectiles. The apparatus was modified to produce a pulsed beam of slow positrons and utilised to measure in detail the total ionisation cross-section (Qt+) for a variety of atomic and molecular targets. For Ar, He and H2, Qt+ which includes contributions from Ps formation, has been subtracted from corresponding total cross-sections, in order to deduce the behaviour of the elastic scattering cross-section (Qel) in the vicinity of the Ps formation threshold (Eps). Here a small change in the gradient of Qel, has been found. The energy dependencies of the Qt+ for He, Ne and Ar, close to Eps have been interpreted in terms of threshold theory. In the case of Ar the outgoing Ps appears to be predominantly s-wave in character. For He and Ne the analysis suggests that the Ps contains significant contributions from a number of partial waves. In the case of O 2, structure in Qt+ has been found, which is attributed to coupling between two inelastic channels, namely Ps formation and excitation to the Schuman-Runge continuum.

  9. Positron Emission Tomography (PET)

    DOE R&D Accomplishments Database

    Welch, M. J.

    1990-01-01

    Positron emission tomography (PET) assesses biochemical processes in the living subject, producing images of function rather than form. Using PET, physicians are able to obtain not the anatomical information provided by other medical imaging techniques, but pictures of physiological activity. In metaphoric terms, traditional imaging methods supply a map of the body's roadways, its, anatomy; PET shows the traffic along those paths, its biochemistry. This document discusses the principles of PET, the radiopharmaceuticals in PET, PET research, clinical applications of PET, the cost of PET, training of individuals for PET, the role of the United States Department of Energy in PET, and the futures of PET.

  10. Positron emission particle tracking using the new Birmingham positron camera

    NASA Astrophysics Data System (ADS)

    Parker, D. J.; Forster, R. N.; Fowles, P.; Takhar, P. S.

    2002-01-01

    Since 1985 a positron camera consisting of a pair of multi-wire proportional chambers has been used at Birmingham for engineering studies involving positron emitting radioactive tracers. The technique of positron emission particle tracking (PEPT), developed at Birmingham, whereby a single tracer particle can be tracked at high speed, has proved particularly powerful. The main limitation of the original positron camera was its low sensitivity and correspondingly low data rate. A new positron camera has recently been installed; it consists of a pair of NaI (Tl) gamma camera heads with fully digital readout and offers an enormous improvement in data rate and data quality. The performance of this camera, and in particular the improved capabilities it brings to the PEPT technique, are summarised.

  11. High resolution radio and optical observations of the central starburst in the low-metallicity dwarf galaxy II Zw 40

    SciTech Connect

    Kepley, Amanda A.; Reines, Amy E.; Johnson, Kelsey E.; Walker, Lisa May E-mail: areines@nrao.edu E-mail: lisamay@virginia.edu

    2014-02-01

    The extent to which star formation varies in galaxies with low masses, low metallicities, and high star formation rate surface densities is not well constrained. To gain insight into star formation under these physical conditions, this paper estimates the ionizing photon fluxes, masses, and ages for young massive clusters in the central region of II Zw 40—the prototypical low-metallicity dwarf starburst galaxy—from radio continuum and optical observations. Discrete, cluster-sized sources only account for half the total radio continuum emission; the remainder is diffuse. The young (≲ 5 Myr) central burst has a star formation rate surface density that significantly exceeds that of the Milky Way. Three of the 13 sources have ionizing photon fluxes (and thus masses) greater than R136 in 30 Doradus. Although isolating the effects of galaxy mass and metallicity is difficult, the H II region luminosity function and the internal extinction in the center of II Zw 40 appear to be primarily driven by a merger-related starburst. The relatively flat H II region luminosity function may be the result of an increase in interstellar medium pressure during the merger and the internal extinction is similar to that generated by the clumpy and porous dust in other starburst galaxies.

  12. Positron sensing of distribution of defects in depth materials

    NASA Astrophysics Data System (ADS)

    Kupchishin, A. I.; Kupchishin, A. A.; Voronova, N. A.; Kirdyashkin, V. I.

    2016-02-01

    It was developed a non-destructive method of positron sensing, which allows to determine the distribution of defects in the depth of the material. From the analysis we can conclude that the angular distribution curves of annihilation photons (well as and on the characteristics in experiments on the lifetime, 3γ - angular correlation, Doppler effect) is influenced by three main factors: a) The distribution of defects in the depth of the material, their dimensions as well as parameters of the interaction of positrons with defects. With increasing the concentration of defects the intensity Jγ(a, ξ) varies more; b) Modification of the energy spectrum of slow positrons due to the influence of defects, wherein the spectrum of positrons becomes softer, and the average energy of the positron annihilation is reduced; c) Deformation of the momentum distribution of the electrons in the region of defect. The energy spectrum of electrons is also becomes softer, and the average energy of the electrons (on which positrons annihilate) is less. The experimentally were measured spectra of photons in the zone of annihilation and were calculated the distribution of defects in depth for a number of metals.

  13. Synthesis, characterization, biological activity and equilibrium studies of metal(II) ion complexes with tridentate hydrazone ligand derived from hydralazine

    NASA Astrophysics Data System (ADS)

    El-Sherif, Ahmed A.; Shoukry, Mohamed M.; Abd-Elgawad, Mohamed M. A.

    2012-12-01

    In the present study, a new hydrazone ligand (2-((2-phthalazin-1-yl)hydrazono)methyl)phenol) prepared by condensation of hydralazine (1-Hydralazinophthalazine) with salicylaldehyde (SAH). The synthesized SAH-hydrazone and its metal complexes have been characterized by elemental analyses, IR, 1H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, UV-vis and thermal analysis (TGA). The analytical data of the complexes show the formation of 1:1 [M:L] ratio, where M represents Ni(II), Co(II) and Cu(II) ions, while L represents the deprotonated hydrazone ligand. IR spectra show that SAH is coordinated to the metal ions in a tridentate manner through phthalazine-N, azomethine-N and phenolic-oxygen groups. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. Proton-ligand association constants of (SAH) and the stepwise stability constants of its metal complexes are determined potentiometrically in 0.1 M NaNO3 at different temperatures and the corresponding thermodynamic parameters were derived and discussed. The order of -ΔG° and -ΔH° were found to obey Mn2+ < Co2+ < Ni2+ < Cu2+, in accordance with the Irving-Williams order. The complexes were stabilized by enthalpy changes and the results suggest that the complexation is an enthalpy-driven process. The concentration distribution diagrams of the complexes are evaluated.

  14. Synthesis, characterization, biological activity and equilibrium studies of metal(II) ion complexes with tridentate hydrazone ligand derived from hydralazine.

    PubMed

    El-Sherif, Ahmed A; Shoukry, Mohamed M; Abd-Elgawad, Mohamed M A

    2012-12-01

    In the present study, a new hydrazone ligand (2-((2-phthalazin-1-yl)hydrazono)methyl)phenol) prepared by condensation of hydralazine (1-Hydralazinophthalazine) with salicylaldehyde (SAH). The synthesized SAH-hydrazone and its metal complexes have been characterized by elemental analyses, IR, (1)H NMR, solid reflectance, magnetic moment, molar conductance, mass spectra, UV-vis and thermal analysis (TGA). The analytical data of the complexes show the formation of 1:1 [M:L] ratio, where M represents Ni(II), Co(II) and Cu(II) ions, while L represents the deprotonated hydrazone ligand. IR spectra show that SAH is coordinated to the metal ions in a tridentate manner through phthalazine-N, azomethine-N and phenolic-oxygen groups. The ligand and their metal chelates have been screened for their antimicrobial activities using the disc diffusion method against the selected bacteria and fungi. Proton-ligand association constants of (SAH) and the stepwise stability constants of its metal complexes are determined potentiometrically in 0.1 M NaNO(3) at different temperatures and the corresponding thermodynamic parameters were derived and discussed. The order of -ΔG° and -ΔH° were found to obey Mn(2+)

  15. Photocurrents from photosystem II in a metal oxide hybrid system: Electron transfer pathways.

    PubMed

    Brinkert, Katharina; Le Formal, Florian; Li, Xiaoe; Durrant, James; Rutherford, A William; Fantuzzi, Andrea

    2016-09-01

    We have investigated the nature of the photocurrent generated by Photosystem II (PSII), the water oxidizing enzyme, isolated from Thermosynechococcus elongatus, when immobilized on nanostructured titanium dioxide on an indium tin oxide electrode (TiO2/ITO). We investigated the properties of the photocurrent from PSII when immobilized as a monolayer versus multilayers, in the presence and absence of an inhibitor that binds to the site of the exchangeable quinone (QB) and in the presence and absence of exogenous mobile electron carriers (mediators). The findings indicate that electron transfer occurs from the first quinone (QA) directly to the electrode surface but that the electron transfer through the nanostructured metal oxide is the rate-limiting step. Redox mediators enhance the photocurrent by taking electrons from the nanostructured semiconductor surface to the ITO electrode surface not from PSII. This is demonstrated by photocurrent enhancement using a mediator incapable of accepting electrons from PSII. This model for electron transfer also explains anomalies reported in the literature using similar and related systems. The slow rate of the electron transfer step in the TiO2 is due to the energy level of electron injection into the semiconducting material being below the conduction band. This limits the usefulness of the present hybrid electrode. Strategies to overcome this kinetic limitation are discussed. PMID:26946088

  16. Local structure of the metal-organic perovskite dimethylammonium manganese(ii) formate.

    PubMed

    Duncan, Helen D; Dove, Martin T; Keen, David A; Phillips, Anthony E

    2016-03-14

    We report total neutron scattering measurements on the metal-organic perovskite analogue dimethylammonium manganese(ii) formate, (CD3)2ND2[Mn(DCO2)3]. Reverse Monte Carlo modelling shows that, in both the disordered high-temperature and ordered low-temperature phases, the ammonium moiety forms substantially shorter hydrogen bonds (N...O = 2.4 Å and 2.6 Å) than are visible in the average crystal structures. These bonds result from a pincer-like motion of two adjacent formate ions about the dimethylammonium ion in such a way that the framework can adjust independently to the positions of nearest-neighbour dimethylammonium ions. At low temperatures the shortest hydrogen bond is less favourable, apparently because it involves a greater distortion of the framework. Furthermore, in the high-temperature phase, in addition to the three disordered nitrogen positions expected from the average crystal structure, there appear to be also smaller probability maxima between these positions, corresponding to orientations in which the dimethylammonium is hydrogen-bonded to the two oxygen atoms of a single formate ion. The spontaneous strain across the phase transition reveals a contraction of the framework about the dimethylammonium cation, continuing as the material is cooled below the transition temperature. These results provide direct evidence of the local atomic structure of the guest-framework hydrogen bonding, and in particular the distortions of the framework responsible for the phase transition in this system. PMID:26763144

  17. Radial velocities and metallicities from infrared Ca ii triplet spectroscopy of open clusters. II. Berkeley 23, King 1, NGC 559, NGC 6603, and NGC 7245

    NASA Astrophysics Data System (ADS)

    Carrera, R.; Casamiquela, L.; Ospina, N.; Balaguer-Núñez, L.; Jordi, C.; Monteagudo, L.

    2015-06-01

    Context. Open clusters are key to studying the formation and evolution of the Galactic disc. However, there is a deficiency of radial velocity and chemical abundance determinations for open clusters in the literature. Aims: We intend to increase the number of determinations of radial velocities and metallicities from spectroscopy for open clusters. Methods: We acquired medium-resolution spectra (R ~ 8000) in the infrared region Ca ii triplet lines (~8500 Å) for several stars in five open clusters with the long-slit IDS spectrograph on the 2.5 m Isaac Newton Telescope (Roque de los Muchachos Observatory, Spain). Radial velocities were obtained by cross-correlation fitting techniques. The relationships available in the literature between the strength of infrared Ca ii lines and metallicity were also used to derive the metallicity for each cluster. Results: We obtain ⟨Vr⟩ = 48.6 ± 3.4, -58.4 ± 6.8, 26.0 ± 4.3, and -65.3 ± 3.2 km s-1 for Berkeley 23, NGC 559, NGC 6603, and NGC 7245, respectively. We found [ Fe/H ] = -0.25 ± 0.14 and -0.15 ± 0.18 for NGC 559 and NGC 7245, respectively. Berkeley 23 has low metallicity, [ Fe/H ] = -0.42 ± 0.13, which is similar to other open clusters in the outskirts of the Galactic disc. In contrast, we derived high metallicity ([ Fe/H ] = +0.43 ± 0.15) for NGC 6603, which places this system among the most metal-rich known open clusters. To our knowledge, this is the first determination of radial velocities and metallicities from spectroscopy for these clusters, except NGC 6603, for which radial velocities had been previously determined. We have also analysed ten stars in the line of sight to King 1. Because of the large dispersion obtained in both radial velocity and metallicity, we cannot be sure that we have sampled true cluster members. Based on observations made with the 2.5 m Isaac Newton Telescope operated on the island of La Palma by the Isaac Newton Group in the Spanish Observatorio del Roque de los Muchachos of the

  18. Photophysical Studies of Ru(II)tris(2,2`-bipyridine) Confined within a Zn(II)-Trimesic Acid Polyhedral Metal-Organic Framework

    SciTech Connect

    Larsen, Randy W; Wojtas, Lukasz

    2012-10-25

    The ability to confine photoactive catalysts within metal-organic framework (MOF) materials affords the opportunity to expand the functional diversity of these materials into solar based applications. Here, the confinement of Ru(II)tris(2,2'-bipyridine) (RuBpy) by a MOF material derived from Zn(II) ions and trimesic acid (hereafter, USF2) is examined. Although the encapsulated RuBpy could not be crystallographically resolved within the MOF framework, the photophysical properties of the complex are characteristic of confinement including extended triplet metal-to-ligand (3MLCT) lifetime (τethanol = 614 ns and {τUSF2 = 1.2 μs at 25 °C) and a slight hypsochromic shift in the steady-state emission spectrum relative to RuBpy in ethanol. The extended lifetime is attributed to a deactivation of a nonradiative 3dd that is antibonding with respect to the Ru(II)-bipyridine due to a confined molecular environment. These results represent one of the first examples of RuBpy encapsulation and photophysical characterization within a polyhedral MOF material.

  19. Undulator Production of Polarized Positrons

    SciTech Connect

    William M. Bugg

    2008-08-27

    E-166 at SLAC has demonstrated the feasibilty of production of polarized positrons for the International Linear Collider using a helical undulator to produce polarized photons which are converted in a thin target to polarized positrons. The success of the experim ent has resulted in the choice of this technique for the baseline design of ILC.

  20. Portable Positron Measurement System (PPMS)

    SciTech Connect

    2011-01-01

    Portable Positron Measurement System (PPMS) is an automated, non-destructive inspection system based on positron annihilation, which characterizes a material's in situatomic-level properties during the manufacturing processes of formation, solidification, and heat treatment. Simultaneous manufacturing and quality monitoring now are possible. Learn more about the lab's project on our facebook site http://www.facebook.com/idahonationallaboratory.

  1. Positron production within our atmosphere

    NASA Astrophysics Data System (ADS)

    Dwyer, Joseph

    2016-04-01

    Positrons are commonly produced within our atmosphere by cosmic rays and the decay radioactive isotopes. Energetic positrons are also produced by pair production from the gamma rays generated by relativistic runaway electrons. Indeed, such positrons have been detected in Terrestrial Electron Beams (TEBs) in the inner magnetosphere by Fermi/GBM. In addition, positrons play an important role in relativistic feedback discharges (also known as dark lightning). Relativistic feedback models suggest that these discharges may be responsible for Terrestrial Gamma-ray Flashes (TGFs) and some gamma-ray glows. When producing TGFs, relativistic feedback discharges may generate large, lightning-like currents with current moments reaching hundreds of kA-km. In addition, relativistic feedback discharges also may limit the electric field that is possible in our atmosphere, affecting other mechanisms for generating runaway electrons. It is interesting that positrons, often thought of as exotic particles, may play an important role in thunderstorm processes. In this presentation, the role of positrons in high-energy atmospheric physics will be discussed. The unusual observation of positron clouds inside a thunderstorm by the ADELE instrument on an NCAR/NSF Gulfstream V aircraft will also be described. These observations illustrate that we still have much to learn about positron production within our atmosphere.

  2. Portable Positron Measurement System (PPMS)

    ScienceCinema

    None

    2016-07-12

    Portable Positron Measurement System (PPMS) is an automated, non-destructive inspection system based on positron annihilation, which characterizes a material's in situatomic-level properties during the manufacturing processes of formation, solidification, and heat treatment. Simultaneous manufacturing and quality monitoring now are possible. Learn more about the lab's project on our facebook site http://www.facebook.com/idahonationallaboratory.

  3. Cyclotrons and positron emitting radiopharmaceuticals

    SciTech Connect

    Wolf, A.P.; Fowler, J.S.

    1984-01-01

    The state of the art of Positron Emission Tomography (PET) technology as related to cyclotron use and radiopharmaceutical production is reviewed. The paper discusses available small cyclotrons, the positron emitters which can be produced and the yields possible, target design, and radiopharmaceutical development and application. 97 refs., 12 tabs. (ACR)

  4. Cardiac Positron Emission Tomography

    PubMed Central

    Geltman, Edward M.

    1985-01-01

    Positron emission tomography (PET) is a new technique for noninvasively assessing myocardial metabolism and perfusion. It has provided new insight into the dynamics of myocardial fatty acid and glucose metabolism in normal subjects, patients with ischemic heart disease and those with cardiomyopathies, documenting regionally depressed fatty acid metabolism during myocardial ischemia and infarction and spatial heterogeneity of fatty acid metabolism in patients with cardiomyopathy. Regional myocardial perfusion has been studied with PET using water, ammonia and rubidium labeled with positron emitters, permitting the noninvasive detection of hypoperfused zones at rest and during vasodilator stress. With these techniques the relationship between perfusion and the metabolism of a variety of substrates has been studied. The great strides that have been made in developing faster high-resolution instruments and producing new labeled intermediates indicate the promise of this technique for facilitating an increase in the understanding of regional metabolism and blood flow under normal and pathophysiologic conditions. ImagesFigure 5.Figure 6.Figure 7.Figure 8.Figure 9. PMID:3879048

  5. Positron Emission Tomography.

    PubMed

    Lameka, Katherine; Farwell, Michael D; Ichise, Masanori

    2016-01-01

    Positron emission tomography (PET) is a minimally invasive imaging procedure with a wide range of clinical and research applications. PET allows for the three-dimensional mapping of administered positron-emitting radiopharmaceuticals such as (18)F-fluorodeoxyglucose (for imaging glucose metabolism). PET enables the study of biologic function in both health and disease, in contrast to magnetic resonance imaging (MRI) and computed tomography (CT), that are more suited to study a body's morphologic changes, although functional MRI can also be used to study certain brain functions by measuring blood flow changes during task performance. This chapter first provides an overview of the basic physics principles and instrumentation behind PET methodology, with an introduction to the merits of merging functional PET imaging with anatomic CT or MRI imaging. We then focus on clinical neurologic disorders, and reference research on relevant PET radiopharmaceuticals when applicable. We then provide an overview of PET scan interpretation and findings in several specific neurologic disorders such as dementias, epilepsy, movement disorders, infection, cerebrovascular disorders, and brain tumors. PMID:27432667

  6. Self-assembly of alkynylplatinum(II) terpyridine amphiphiles into nanostructures via steric control and metal–metal interactions

    PubMed Central

    Leung, Sammual Yu-Lut; Wong, Keith Man-Chung; Yam, Vivian Wing-Wah

    2016-01-01

    A series of mono- and dinuclear alkynylplatinum(II) terpyridine complexes containing the hydrophilic oligo(para-phenylene ethynylene) with two 3,6,9-trioxadec-1-yloxy chains was designed and synthesized. The mononuclear alkynylplatinum(II) terpyridine complex was found to display a very strong tendency toward the formation of supramolecular structures. Interestingly, additional end-capping with another platinum(II) terpyridine moiety of various steric bulk at the terminal alkyne would lead to the formation of nanotubes or helical ribbons. These desirable nanostructures were found to be governed by the steric bulk on the platinum(II) terpyridine moieties, which modulates the directional metal−metal interactions and controls the formation of nanotubes or helical ribbons. Detailed analysis of temperature-dependent UV-visible absorption spectra of the nanostructured tubular aggregates also provided insights into the assembly mechanism and showed the role of metal−metal interactions in the cooperative supramolecular polymerization of the amphiphilic platinum(II) complexes. PMID:26933213

  7. Structural and magnetic characterization of a tetranuclear copper(II) cubane stabilized by intramolecular metal cation-π interactions.

    PubMed

    Papadakis, Raffaello; Rivière, Eric; Giorgi, Michel; Jamet, Hélène; Rousselot-Pailley, Pierre; Réglier, Marius; Simaan, A Jalila; Tron, Thierry

    2013-05-20

    A novel tetranuclear copper(II) complex (1) was synthesized from the self-assembly of copper(II) perchlorate and the ligand N-benzyl-1-(2-pyridyl)methaneimine (L(1)). Single-crystal X-ray diffraction studies revealed that complex 1 consists of a Cu4(OH)4 cubane core, where the four copper(II) centers are linked by μ3-hydroxo bridges. Each copper(II) ion is in a distorted square-pyramidal geometry. X-ray analysis also evidenced an unusual metal cation-π interaction between the copper ions and phenyl substituents of the ligand. Calculations based on the density functional theory method were used to quantify the strength of this metal-π interaction, which appears as an important stabilizing parameter of the cubane core, possibly acting as a driving parameter in the self-aggregation process. In contrast, using the ligand N-phenethyl-1-(2-pyridyl)methaneimine (L(2)), which only differs from L(1) by one methylene group, the same synthetic procedure led to a binuclear bis(μ-hydroxo)copper(II) complex (2) displaying intermolecular π-π interactions or, by a slight variation of the experimental conditions, to a mononuclear complex (3). These complexes were studied by X-ray diffraction techniques. The magnetic properties of complexes 1 and 2 are reported and discussed.

  8. Isolation Of PS II Nanoparticles And Oxygen Evolution Studies In Synechococcus Spp. PCC 7942 Under Heavy Metal Stress

    NASA Astrophysics Data System (ADS)

    Ahmad, Iffat Zareen; Sundaram, Shanthy; Tripathi, Ashutosh; Soumya, K. K.

    2009-06-01

    The effect of heavy metals was seen on the oxygen evolution pattern of a unicellular, non-heterocystous cyanobacterial strain of Synechococcus spp. PCC 7942. It was grown in a BG-11 medium supplemented with heavy metals, namely, nickel, copper, cadmium and mercury. Final concentrations of the heavy metal solution used in the culture were 0.1, 0.4 and 1 μM. All the experiments were performed in the exponential phase of the culture. Oxygen-evolving photosystem II (PS II) particles were purified from Synechococcus spp. PCC 7942 by a single-step Ni2+-affinity column chromatography after solubilization of thylakoid membranes with sucrose monolaurate. Oxygen evolution was measured with Clark type oxygen electrode fitted with a circulating water jacket. The light on the surface of the vessel was 10 w/m2. The cultures were incubated in light for 15 minutes prior to the measurement of oxygen evolution. Oxygen evolution was measured in assay mixture containing phosphate buffer (pH-7.5, 0.1 M) in the presence of potassium ferricyanide as the electron acceptor. The preparation from the control showed a high oxygen-evolving activity of 2, 300-2, 500 pmol O2 (mg Chl)-1 h-1 while the activity was decreased in the cultures grown with heavy metals. The inhibition of oxygen evolution shown by the organism in the presence of different metals was in the order Hg>Ni>Cd>Cu. Such heavy metal resistant strains will find application in the construction of PS II- based biosensors for the monitoring of pollutants.

  9. Positron research at the University of Texas at Austin

    NASA Astrophysics Data System (ADS)

    Goktepeli, Sinan

    The objective of the research presented in this dissertation is to advance the applications of positron annihilation research. An intense positron beam facility was designed and constructed, and a method was developed to better analyze the defect structure of solids. The Texas Reactor-based Intense Positron beam facility (TRIP) was designed to provide a monoenergetic/monodirectional beam of at least 108 e +/sec on a sample. This increase in beam intensity will enhance many positron research techniques both in atomic physics and materials science. The TRIP facility, the result of a collaboration between UT Austin and UT Arlington, is being developed around the concept of multiple scattering of positrons from solid krypton. A large area copper source will be irradiated in a beam port of the 1 MW TRIGA Mark-II research reactor at UT Austin. The source will form the bottom face of a cube with the remaining faces made of tungsten. All surfaces will be cooled down to 22 K and coated with krypton. The top face of the cube has a 1 cm diameter hole to allow for the passage of positrons. The fast beta particles emitted from the β+ decay of 64Cu will be moderated while passing through the krypton. The non- moderated positrons will lose their energy while interacting with the remaining walls. The positrons will be removed from the box by an electric field and electrostatically delivered to the sample. The work on the TRIP facility is ongoing. The results of early measurements at UT Arlington have shown that the facility will be able to achieve its goals. The method developed to better analyze the positron depth profiling (PDP) experiments uses the difference spectra of the measured Doppler broadened annihilation peaks. The difference spectra, which are obtained by subtracting the bulk peak shape from the peaks recorded for each incident positron energy, enhance the differences of the observed peaks, while removing the bulk annihilation term from the multi-state annihilation

  10. Structural characterization of a metal-based perfusion tracer: copper(II) pyruvaldehyde bis(N4-methylthiosemicarbazone).

    PubMed

    John, E; Fanwick, P E; McKenzie, A T; Stowell, J G; Green, M A

    1989-01-01

    Copper(II) pyruvaldehyde bis(N4-methylthiosemicarbazone), Cu(PTSM), has been obtained as a dark red crystalline solid from EtOH-DMSO solvent mixture and structurally characterized by x-ray crystallography. The molecule possesses the expected pseudo-square planar N2S2 metal coordination sphere; however, the copper center also interacts through its axial coordination site with the sulfur atom of an adjacent Cu(PTSM) molecule in the crystal lattice. The structure of this compound is compared with the structures of other metal complexes that have been proposed in the nuclear medicine literature as perfusion tracers. PMID:2621114

  11. Biological low pH Mn(II) oxidation in a manganese deposit influenced by metal-rich groundwater

    USGS Publications Warehouse

    Bohu, Tsing; Akob, Denise M.; Abratis, Michael; Lazar, Cassandre S.; Küsel, Kirsten

    2016-01-01

    The mechanisms, key organisms, and geochemical significance of biological low-pH Mn(II) oxidation are largely unexplored. Here, we investigated the structure of indigenous Mn(II)-oxidizing microbial communities in a secondary subsurface Mn oxide deposit influenced by acidic (pH 4.8) metal-rich groundwater in a former uranium mining area. Microbial diversity was highest in the Mn deposit compared to the adjacent soil layers and included the majority of known Mn(II)-oxidizing bacteria (MOB) and two genera of known Mn(II)-oxidizing fungi (MOF). Electron X-ray microanalysis showed that romanechite [(Ba,H2O)2(Mn4+,Mn3+)5O10] was conspicuously enriched in the deposit. Canonical correspondence analysis revealed that certain fungal, bacterial, and archaeal groups were firmly associated with the autochthonous Mn oxides. Eight MOB within the Proteobacteria, Actinobacteria, and Bacteroidetes and one MOF strain belonging to Ascomycota were isolated at pH 5.5 or 7.2 from the acidic Mn deposit. Soil-groundwater microcosms demonstrated 2.5-fold-faster Mn(II) depletion in the Mn deposit than adjacent soil layers. No depletion was observed in the abiotic controls, suggesting that biological contribution is the main driver for Mn(II) oxidation at low pH. The composition and species specificity of the native low-pH Mn(II) oxidizers were highly adapted to in situ conditions, and these organisms may play a central role in the fundamental biogeochemical processes (e.g., metal natural attenuation) occurring in the acidic, oligotrophic, and metalliferous subsoil ecosystems.

  12. Synthesis, Spectroscopic Characterization, and Biological Evaluation Studies of 5-Bromo-3-(((hydroxy-2-methylquinolin-7-yl)methylene)hydrazono)indolin-2-one and Its Metal (II) Complexes

    PubMed Central

    Siddappa, Kuruba; Mayana, Nabiya Sultana

    2014-01-01

    The Schiff base ligand 5-bromo-3-(((8-hydroxy-2-methylquinolin-7-yl)methylene)hydrazono)indolin-2-one (BHMQMHI) was prepared via condensation of 5-bromo-3-hydrazonoindolin-2-one and 7-formyl-8-hydroxy-2-methylquinoline and its Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Hg(II) complexes have been synthesized and characterized by elemental analysis, conductance data, magnetic susceptibility measurements, IR, UV-Vis, mass spectrometry, 1H NMR, ESR, XRD, and thermal studies. By these spectral studies it is found that Co(II), Ni(II), and Cu(II) complexes have exhibited octahedral geometry whereas the Zn(II), Cd(II), and Hg(II) complexes have exhibited tetrahedral geometry. Potentiometric studies have been carried out on complexes of Schiff base (BHMQMHI) with Cu(II), Co(II), and Ni(II). Calvin-Bjerrum pH-titration technique as used by Irving and Rossotti has been applied to determine stability constants in mixed solvents at 25 ± 1°C. The present study reports the protonation constants of this ligand and stability constants of its metal complexes in dioxane-water (50%, v/v) mixtures. Metal-ligand stability constants fall in the order of Cu(II) > Co(II) > Ni(II) which is in agreement with those reported by Irving stability order. The Schiff base (BHMQMHI) and its metal complexes have been screened for their in vitro antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The DNA cleavage activities of all the complexes were studied by agarose gel electrophoresis method. In addition, the free ligand along with its complexes has been studied for their antioxidant activity. PMID:25371658

  13. Synthesis, spectroscopic, thermal and anticancer studies of metal-antibiotic chelations: Ca(II), Fe(III), Pd(II) and Au(III) chloramphenicol complexes

    NASA Astrophysics Data System (ADS)

    Al-Khodir, Fatima A. I.; Refat, Moamen S.

    2016-09-01

    Four Ca(II), Fe(III), Pd(II) and Au(III) complexes of chloramphenicol drug have been synthesized and well characterized using elemental analyses, (infrared, electronic, and 1H-NMR) spectra, magnetic susceptibility measurement, and thermal analyses. Infrared spectral data show that the chloramphenicol drug coordinated to Ca(II), Pd(II) and Au(III) metal ions through two hydroxyl groups with 1:1 or 1:2 M ratios, but Fe(III) ions chelated towards chloramphenicol drug via the oxygen and nitrogen atoms of amide group with 1:2 ratio based on presence of keto↔enol form. The X-ray powder diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscopy (TEM) techniques were used to identify the nano-size particles of both iron(III) and gold(III) chloramphenicol complexes. The antimicrobial assessments of the chloramphenicol complexes were scanned and collected the results against of some kind of bacteria and fungi. The cytotoxic activity of the gold(III) complex was tested against the human colon carcinoma (HCT-116) and human hepatocellular carcinoma (HepG-2) tumor cell lines.

  14. Positron emission mammography imaging

    SciTech Connect

    Moses, William W.

    2003-10-02

    This paper examines current trends in Positron Emission Mammography (PEM) instrumentation and the performance tradeoffs inherent in them. The most common geometry is a pair of parallel planes of detector modules. They subtend a larger solid angle around the breast than conventional PET cameras, and so have both higher efficiency and lower cost. Extensions to this geometry include encircling the breast, measuring the depth of interaction (DOI), and dual-modality imaging (PEM and x-ray mammography, as well as PEM and x-ray guided biopsy). The ultimate utility of PEM may not be decided by instrument performance, but by biological and medical factors, such as the patient to patient variation in radiotracer uptake or the as yet undetermined role of PEM in breast cancer diagnosis and treatment.

  15. Positron-acoustic solitary waves in a magnetized electron-positron-ion plasma with nonthermal electrons and positrons

    NASA Astrophysics Data System (ADS)

    Rahman, M. M.; Alam, M. S.; Mamun, A. A.

    2015-05-01

    Obliquely propagating positron-acoustic solitary waves (PASWs) in a magnetized electron-positron-ion plasma (containing nonthermal hot positrons and electrons, inertial cold positrons, and immobile positive ions) are precisely investigated by deriving the Zakharov-Kuznetsov equation. It is found that the characteristics of the PASWs are significantly modified by the effects of external magnetic field, obliqueness, nonthermality of hot positrons and electrons, temperature ratio of hot positrons and electrons, and respective number densities of hot positrons and electrons. The findings of our results can be employed in understanding the localized electrostatic structures and the characteristics of PASWs in various space and laboratory plasmas.

  16. Synthesis, spectral characterization and DNA bindings of tridentate N2O donor Schiff base metal(II) complexes.

    PubMed

    Kathiresan, Sellamuthu; Anand, Thangavel; Mugesh, Subramanian; Annaraj, Jamespandi

    2015-07-01

    To evaluate the biological preference of synthetic small drugs towards DNA target, new metal based chemotherapeutic agents of Cu(II), Co(II), Ni(II) and Zn(II), 2,4-diiodo-6-((pyridin-2-ylmethylimino)methyl)phenol (L) Schiff base complexes (1, 2, 3 &4) having N,N,O donor system respectively were synthesized and thoroughly characterized. The IR results confirmed the tridentate binding of the ligand with metal centre during complexation and reflects the proposed structure. The density function theory calculations were also used to further investigate the electronic structure and properties of ligand and complexes. The preliminary investigation of herring Sperm (HS-DNA) interaction propensity of complexes 1-4 were carried out in Tris-HCl buffer at pH 7.1 to demonstrate their mode of interactions. The obtained results reveal that these complexes significantly interact with DNA on the grooves, further, this observed mode of interactions was also confirmed by molecular docking evaluations. The complexes 1-4 were also screened for antimicrobial evaluations which demonstrated that their significant activity against various human pathogens. The cleavage studies with pBR322 plasmid DNA revealed higher nuclease activity of 1 as compared to other complexes. PMID:26000741

  17. Synthesis, spectral characterization and DNA bindings of tridentate N2O donor Schiff base metal(II) complexes.

    PubMed

    Kathiresan, Sellamuthu; Anand, Thangavel; Mugesh, Subramanian; Annaraj, Jamespandi

    2015-07-01

    To evaluate the biological preference of synthetic small drugs towards DNA target, new metal based chemotherapeutic agents of Cu(II), Co(II), Ni(II) and Zn(II), 2,4-diiodo-6-((pyridin-2-ylmethylimino)methyl)phenol (L) Schiff base complexes (1, 2, 3 &4) having N,N,O donor system respectively were synthesized and thoroughly characterized. The IR results confirmed the tridentate binding of the ligand with metal centre during complexation and reflects the proposed structure. The density function theory calculations were also used to further investigate the electronic structure and properties of ligand and complexes. The preliminary investigation of herring Sperm (HS-DNA) interaction propensity of complexes 1-4 were carried out in Tris-HCl buffer at pH 7.1 to demonstrate their mode of interactions. The obtained results reveal that these complexes significantly interact with DNA on the grooves, further, this observed mode of interactions was also confirmed by molecular docking evaluations. The complexes 1-4 were also screened for antimicrobial evaluations which demonstrated that their significant activity against various human pathogens. The cleavage studies with pBR322 plasmid DNA revealed higher nuclease activity of 1 as compared to other complexes.

  18. Zn(II)- and Cu(II)-induced non-fibrillar aggregates of amyloid-beta (1-42) peptide are transformed to amyloid fibrils, both spontaneously and under the influence of metal chelators.

    PubMed

    Tõugu, Vello; Karafin, Ann; Zovo, Kairit; Chung, Roger S; Howells, Claire; West, Adrian K; Palumaa, Peep

    2009-09-01

    Aggregation of amyloid-beta (Abeta) peptides is a central phenomenon in Alzheimer's disease. Zn(II) and Cu(II) have profound effects on Abeta aggregation; however, their impact on amyloidogenesis is unclear. Here we show that Zn(II) and Cu(II) inhibit Abeta(42) fibrillization and initiate formation of non-fibrillar Abeta(42) aggregates, and that the inhibitory effect of Zn(II) (IC(50) = 1.8 micromol/L) is three times stronger than that of Cu(II). Medium and high-affinity metal chelators including metallothioneins prevented metal-induced Abeta(42) aggregation. Moreover, their addition to preformed aggregates initiated fast Abeta(42) fibrillization. Upon prolonged incubation the metal-induced aggregates also transformed spontaneously into fibrils, that appear to represent the most stable state of Abeta(42). H13A and H14A mutations in Abeta(42) reduced the inhibitory effect of metal ions, whereas an H6A mutation had no significant impact. We suggest that metal binding by H13 and H14 prevents the formation of a cross-beta core structure within region 10-23 of the amyloid fibril. Cu(II)-Abeta(42) aggregates were neurotoxic to neurons in vitro only in the presence of ascorbate, whereas monomers and Zn(II)-Abeta(42) aggregates were non-toxic. Disturbed metal homeostasis in the vicinity of zinc-enriched neurons might pre-dispose formation of metal-induced Abeta aggregates, subsequent fibrillization of which can lead to amyloid formation. The molecular background underlying metal-chelating therapies for Alzheimer's disease is discussed in this light. PMID:19619132

  19. Positron emission particle tracking using a modular positron camera

    NASA Astrophysics Data System (ADS)

    Parker, D. J.; Leadbeater, T. W.; Fan, X.; Hausard, M. N.; Ingram, A.; Yang, Z.

    2009-06-01

    The technique of positron emission particle tracking (PEPT), developed at Birmingham in the early 1990s, enables a radioactively labelled tracer particle to be accurately tracked as it moves between the detectors of a "positron camera". In 1999 the original Birmingham positron camera, which consisted of a pair of MWPCs, was replaced by a system comprising two NaI(Tl) gamma camera heads operating in coincidence. This system has been successfully used for PEPT studies of a wide range of granular and fluid flow processes. More recently a modular positron camera has been developed using a number of the bismuth germanate (BGO) block detectors from standard PET scanners (CTI ECAT 930 and 950 series). This camera has flexible geometry, is transportable, and is capable of delivering high data rates. This paper presents simple models of its performance, and initial experience of its use in a range of geometries and applications.

  20. Cosmic Ray Positrons from Pulsars

    NASA Technical Reports Server (NTRS)

    Harding, Alice K.

    2010-01-01

    Pulsars are potential Galactic sources of positrons through pair cascades in their magnetospheres. There are, however, many uncertainties in establishing their contribution to the local primary positron flux. Among these are the local density of pulsars, the cascade pair multiplicities that determine the injection rate of positrons from the pulsar, the acceleration of the injected particles by the pulsar wind termination shock, their rate of escape from the pulsar wind nebula, and their propagation through the interstellar medium. I will discuss these issues in the context of what we are learning from the new Fermi pulsar detections and discoveries.

  1. Intense source of slow positrons

    NASA Astrophysics Data System (ADS)

    Perez, P.; Rosowsky, A.

    2004-10-01

    We describe a novel design for an intense source of slow positrons based on pair production with a beam of electrons from a 10 MeV accelerator hitting a thin target at a low incidence angle. The positrons are collected with a set of coils adapted to the large production angle. The collection system is designed to inject the positrons into a Greaves-Surko trap (Phys. Rev. A 46 (1992) 5696). Such a source could be the basis for a series of experiments in fundamental and applied research and would also be a prototype source for industrial applications, which concern the field of defect characterization in the nanometer scale.

  2. 21 CFR 892.1110 - Positron camera.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Positron camera. 892.1110 Section 892.1110 Food... DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A positron camera is a device intended to image the distribution of positron-emitting radionuclides in the...

  3. Three-dimensional nonlinear optical chromophores based on metal-to-ligand charge-transfer from ruthenium(II) or iron(II) centers.

    PubMed

    Coe, Benjamin J; Harris, James A; Brunschwig, Bruce S; Asselberghs, Inge; Clays, Koen; Garín, Javier; Orduna, Jesús

    2005-09-28

    In this article, we describe a series of new complex salts in which electron-rich transition-metal centers are coordinated to three electron-accepting N-methyl/aryl-2,2':4,4' ':4',4' ''-quaterpyridinium ligands. These complexes contain either Ru(II) or Fe(II) ions and have been characterized by using various techniques, including electronic absorption spectroscopy and cyclic voltammetry. Molecular quadratic nonlinear optical (NLO) responses beta have been determined by using hyper-Rayleigh scattering at 800 nm and also via Stark (electroabsorption) spectroscopic studies on the intense, visible d --> pi* metal-to-ligand charge-transfer bands. The latter experiments reveal that these putatively octupolar D(3) chromophores exhibit two substantial components of the beta tensor which are associated with transitions to dipolar excited states. Computations involving time-dependent density-functional theory and the finite field method serve to further illuminate the electronic structures and associated linear and NLO properties of the new chromophoric salts. PMID:16173774

  4. Structural and electronic trends for five coordinate 1(st) row transition metal complexes: Mn(ii) to Zn(ii) captured in a bis(iminopyridine) framework.

    PubMed

    Jurca, Titel; Ouanounou, Sarah; Shih, Wei-Chih; Ong, Tiow-Gan; Yap, Glenn P A; Korobkov, Ilia; Gorelsky, Serge; Richeson, Darrin

    2016-09-28

    The preparation and characterization of a series of divalent 3d transition metal complexes supported by a tridentate planar bis(iminopyridine) ligand are reported. The complexes {2,6-[PhC[double bond, length as m-dash]N(tBu2C6H3)]2C5H3N}MBr2 (M = Mn, Fe, Co, Ni, Cu, Zn), 1-6, were characterized by single crystal X-ray structural studies revealing complexes with pentacoordinate distorted square pyramidal coordination environments. This assembly of complexes provided a unique array for examining the relationship between experimental structure and computed electronic structure. While experimental structural features basically correlated with the Irving-Williams series, some clear deviations were rationalized through the computational analysis. A balance of bis(imino)pyridine/metal with bonding/antibonding π interactions was used to explain the divergent directions of Fe(ii)-N and Co(ii)-N bond lengths. Similarly, orbital details were used to justify the opposing change in Cu-Brap and Cu-Brbas bond lengths. Furthermore, computational analysis provided a unique method to document a surprising low bond order for the M-N bonds of bis(imino)pyridine ligand in this series. PMID:27539867

  5. Radio frequency elevator for a pulsed positron beam

    NASA Astrophysics Data System (ADS)

    Dickmann, Marcel; Mitteneder, Johannes; Kögel, Gottfried; Egger, Werner; Sperr, Peter; Ackermann, Ulrich; Piochacz, Christian; Dollinger, Günther

    2016-06-01

    An elevator increases the potential energy of a particle beam with respect to ground potential without any alteration of kinetic energy and other beam parameters. This elevator is necessary for the implementation of the Munich Scanning Positron Microscope (SPM) at the intense positron source NEPOMUC at the research reactor FRM II in Munich. The principles of the rf elevator for pure electrostatically guided positrons are described. Measurements of beam quality behind the elevator are reported, which confirm that after the implementation of elevator and SPM at NEPOMUC the SPM can be operated at a considerably improved resolution (~ 0.3 μm) and event rate (~3.7 kHz) compared to the laboratory based β+-source.

  6. Investigation of Explosively Driven Fragmentation of Metals - Two Dimensional Fracture and Fragmentation of Metal Shells: Progress Report II

    SciTech Connect

    Grady, D

    2003-02-01

    High explosive enclosed by a metal case qualitatively describes an essential component of high energy systems of importance to the Department of Energy. Detonation of the high explosive causes intense transient pressure loading of the metal following arrival of normal or obliquely incident explosive detonation wave. Subsequent expansion and deformation of the metal case leads to eventual rupture and the opening of fractures and fissures. Details of the rupture process are critical to performance of the system. Consequently, it is essential that the material and kinematic issues governing the processes of dynamic loading and subsequent failure of an explosive-metal case component within a functioning system be adequately understood. Among the reasons are to quantify existing performance, characterize potential degradation of performance resulting from system aging, and optimizing or maintaining system performance through implementation of structural or material changes. The physical and engineering issues underlying this dynamic response and failure phenomena are not adequately understood. The purpose of the present program is to identify the key issues and develop theoretical, computational and experimental models needed to achieve a satisfactory theoretical and analysis framework for analysis of metal case failure in the explosive environment. Specific tasks within the present program include: (1) Models and theories currently being pursued based on physical principles of both the statistical fragmentation concepts of Mott and the energy-based concept of others show promise of providing the analytic and computational methodology capable of predicting explosion-induced fracture and fragmentation of metal components. Experimental studies initiated in the earlier effort offer promise to provide critical test data for validation. The present task shall involve the further refinement and development of the dynamic failure and fragmentation models and theories, and the

  7. Design of ratiometric fluorescent probes based on arene-metal-ion interactions and their application to Cd(II) and hydrogen sulfide imaging in living cells.

    PubMed

    Takashima, Ippei; Kinoshita, Miyuki; Kawagoe, Ryosuke; Nakagawa, Saika; Sugimoto, Manabu; Hamachi, Itaru; Ojida, Akio

    2014-02-17

    Non-coordinative interactions between a metal ion and the aromatic ring of a fluorophore can act as a versatile sensing mechanism for the detection of metal ions with a large emission change of fluorophores. We report the design of fluorescent probes based on arene-metal-ion interactions and their biological applications. This study found that various probes having different fluorophores and metal binding units displayed significant emission redshift upon complexation with metal ions, such as Ag(I), Cd(II), Hg(II), and Pb(II). X-ray crystallography of the complexes confirmed that the metal ions were held in close proximity to the fluorophore to form an arene-metal-ion interaction. Electronic structure calculations based on TDDFT offered a theoretical basis for the sensing mechanism, thus showing that metal ions electrostatically modulate the energy levels of the molecular orbitals of the fluorophore. A fluorescent probe was successfully applied to the ratiometric detection of the uptake of Cd(II) ions and hydrogen sulfide (H2S) in living cells. These results highlight the utility of interactions between arene groups and metal ions in biological analyses.

  8. Direct measurement of the Mn(II) hydration state in metal complexes and metalloproteins through 17O NMR line widths.

    PubMed

    Gale, Eric M; Zhu, Jiang; Caravan, Peter

    2013-12-11

    Here we describe a simple method to estimate the inner-sphere hydration state of the Mn(II) ion in coordination complexes and metalloproteins. The line width of bulk H2(17)O is measured in the presence and absence of Mn(II) as a function of temperature, and transverse (17)O relaxivities are calculated. It is demonstrated that the maximum (17)O relaxivity is directly proportional to the number of inner-sphere water ligands (q). Using a combination of literature data and experimental data for 12 Mn(II) complexes, we show that this method provides accurate estimates of q with an uncertainty of ±0.2 water molecules. The method can be implemented on commercial NMR spectrometers working at fields of 7 T and higher. The hydration number can be obtained for micromolar Mn(II) concentrations. We show that the technique can be extended to metalloproteins or complex:protein interactions. For example, Mn(II) binds to the multimetal binding site A on human serum albumin with two inner-sphere water ligands that undergo rapid exchange (1.06 × 10(8) s(-1) at 37 °C). The possibility of extending this technique to other metal ions such as Gd(III) is discussed.

  9. The preparation of polyelectrolyte complexes carboxymethyl chitosan(CMC)-pectin by reflux method as a Pb (II) metal ion adsorbent

    NASA Astrophysics Data System (ADS)

    Hastuti, Budi; Mudasir, Siswanta, Dwi; Triyono

    2016-02-01

    Aim of this research is to synthesized a chemically stable polyelectrolyte complexs carboxymetyl chitosan CMC-pectin as Pb(II) ion adsorbent by reflux method. During synthesis process, the optimum mass ratio of CMC and pectin was pre-determined and the active groups of the CMC-pectin complex was characterized by using IR spectrofotometer. Finally, adsorption capacity of the adsorbent material for Pb (II) ions was studied under optimum condition, i.e. adsorbent mass, contact time, and pH. Result shows that CMC could be succesfully combined with pectin to produce CMC-pectin complex. The optimum mass ratio CMC: pectin to form the polyelectrolyte complexs CMC-pectin was 70% : 30%. The active groups identified in the CMC-pectin complex was a hydroxyl (OH) and carboxylate (-COOH) groups. The optimum conditions for Pb (II) ion absoprtion was 10 mg of the adsorbent mass, 75 min of contact time, and pH 5. This material can be effectively used as adsorbents for Pb (II) ions, where up to 91% Pb (II) metal ions was adsorbed from aqueous solution and the adsorption capacity of the adsorbent was 41.63 mg/g.

  10. Metal transports and enrichments in iron depositions hosted in basaltic rocks. II: Metal rich fluids and Fe origin

    NASA Astrophysics Data System (ADS)

    Zhang, Ronghua; Zhang, Xuetong; Hu, Shumin

    2015-12-01

    This study focuses on revealing the mechanism of metal transport, enrichment and Fe origin of iron deposition during water basalt interactions occurred in basaltic rocks. Observations of the iron deposits (anhydrite-magnetite-pyroxene type deposits) hosted in K-rich basaltic rocks in the Mesozoic volcanic area of the Middle-Lower Yangtze River valley, China, indicate that the mechanism of metal transport and enrichment for those deposits are significant objective to scientists, and the Fe origin problem is not well resolved. Here the metal transport, enrichment and iron origin have been investigated in high temperature experiments of water basaltic interactions. These deposits were accompanying a wide zone with metal alteration. The effects of hydrothermal alteration on major rock-forming element concentrations in basaltic rock were investigated by systematically comparing the chemical compositions of altered rocks with those of fresh rocks. In the deposits, these metals are distributed throughout altered rocks that exhibit vertical zoning from the deeper to the shallow. Then, combined with the investigations of the metal-alterations, we performed kinetic experiments of water-basaltic rock interactions using flow-through reactors in open systems at temperatures from 20 °C to 550 °C, 23-34 MPa. Release rates for the rock-forming elements from the rocks have been measured. Experiments provide the release rates for various elements at a large temperature range, and indicate that the dissolution rates (release rates) for various elements vary with temperature. Si, Al, and K have high release rates at temperatures from 300 °C to 500 °C; the maximum release rates (RMX) for Si are reached at temperatures from 300 °C to 400 °C. The RMXs for Ca, Mg, and Fe are at low temperatures from 20 °C to 300 °C. Results demonstrate that Fe is not released from 400 °C to 550 °C, and indicate that when deep circling fluids passed through basaltic rocks, Fe was not mobile, and

  11. Effect of metal oxides on the reactivity of persulfate/Fe(II) in the remediation of diesel-contaminated soil and sand.

    PubMed

    Do, Si-Hyun; Kwon, Yong-Jae; Kong, Sung-Ho

    2010-10-15

    The effect of metal oxides on the ability of persulfate (PS) with Fe(II) to remediate diesel-contaminated soil was investigated. In both natural soil and purchased sand, the highest diesel degradation occurred at pH 3 and the optimum molar ratio of PS/Fe(II) was 100:1 (i.e. 500 mM PS to 5 mM Fe(II)). Moreover, adding Fe(II) increased PS reactivity more in soil than it did in sand, indicating the involvement of metal oxides in the soil matrix. Evaluating the effects of metal oxides (i.e. goethite, hematite, magnetite, and manganese oxide) on the reactivity of PS with/without Fe(II) in a system containing diesel-contaminated sand revealed that manganese oxide increased PS activity the most and that the highest diesel degradation by PS occurred when both manganese oxide and Fe(II) were used as activators. XRD did not show the transformation of manganese oxide in the presence of Fe(II). SEM-EDS showed the association of Fe(II) on the surface of manganese oxide, and ICP analysis revealed that almost all the added Fe(II) adsorbed to manganese oxide but almost none adsorbed to iron oxides under acidic conditions. Therefore, the high reactivity of PS could be due to the high density of Fe(II) over the surface of manganese oxide.

  12. Possibilities with pulsed polarized high density slow positrons

    NASA Astrophysics Data System (ADS)

    Mills, A. P., Jr.

    2014-04-01

    A particularly bright and intense polarized slow positron beam could be formed from isotopically enriched 79Kr produced at a reactor. After moderation with solid Ne, accumulation, compression, and bunching, this type of positron beam would enable a number of experiments including: (1) Long term storage of a neutral polarized electron-positron plasma in a cold box; (2) Pulsed e+ ACAR with a pulsed magnet to measure Fermi surfaces of paramagnetic metals; (3) Single shot measurements of positron annihilation in laser-imploding plasmas; (4) Study of a spin-polarized positronium gas at a density around that of ordinary air to produce a Ps Bose-Einstein condensate at room temperature; (5) High energy polarized positron channelling experiments to study polarized electron spatial wave functions in ferromagnets; and (6) Study of supersonic free expansion spin polarized BEC Ps jets formed from, for example, 1011 m=1 triplet Ps atoms created within an open ended 1 μm diameter cylindrical cavity 100 μm in length.

  13. Modelling Positron Interactions with Matter

    NASA Astrophysics Data System (ADS)

    Garcia, G.; Petrovic, Z.; White, R.; Buckman, S.

    2011-05-01

    In this work we link fundamental measurements of positron interactions with biomolecules, with the development of computer codes for positron transport and track structure calculations. We model positron transport in a medium from a knowledge of the fundamental scattering cross section for the atoms and molecules comprising the medium, combined with a transport analysis based on statistical mechanics and Monte-Carlo techniques. The accurate knowledge of the scattering is most important at low energies, a few tens of electron volts or less. The ultimate goal of this work is to do this in soft condensed matter, with a view to ultimately developing a dosimetry model for Positron Emission Tomography (PET). The high-energy positrons first emitted by a radionuclide in PET may well be described by standard formulas for energy loss of charged particles in matter, but it is incorrect to extrapolate these formulas to low energies. Likewise, using electron cross-sections to model positron transport at these low energies has been shown to be in serious error due to the effects of positronium formation. Work was supported by the Australian Research Council, the Serbian Government, and the Ministerio de Ciencia e Innovación, Spain.

  14. Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

    DOE PAGES

    Du, Mao -Hua; Singh, David J.; Zhang, Lijun; Li, Yuwei; Xu, Qiaoling; Ma, Yanming; Zheng, Weitao

    2016-04-19

    Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn2O3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn2O3 and BaSn2O3, which can bemore » stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn2O3) to 3.15 (SrSn2O3) eV, and hole effective masses ranging from 0.87 (BaSn2O3) to above 6.0 (SrSn2O3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.« less

  15. Complexes With Biologically Active Ligands. Part 101 Inhibition of Carbonic Anhydrase Isozymes I and II With Metal Complexes of Imidazo[2,1−b ]-1,3,4-Thiadiazole-2-Sulfonamide

    PubMed Central

    Scozzafava, Andrea

    1997-01-01

    The title compound was prepared by an improved variant of the literature procedure, and metal complexes containing its anion and the following metal ions: Zn(II), Cd(II), Hg(II), Co(II), Ni(II), Cu(II), V(IV), Fe(III) and Ag(I) were synthesized and characterized by standard procedures (elemental analysis; IR, electronic, NMR and EPR spectroscopy; TG, magnetic and conductimetric measurements). The parent sulfonamide and its metal complexes are potent inhibitors of two carbonic anhydrase (CA) isozymes, CA I and II, and they might possess applications as selective cerebrovasodilating agents. PMID:18475761

  16. Removal Efficiency of the Heavy Metals Zn(II), Pb(II) and Cd(II) by Saprolegnia delica and Trichoderma viride at Different pH Values and Temperature Degrees.

    PubMed

    Ali, Esam H; Hashem, Mohamed

    2007-09-01

    The removal efficiency of the heavy metals Zn, Pb and Cd by the zoosporic fungal species Saprolegnia delica and the terrestrial fungus Trichoderma viride, isolated from polluted water drainages in the Delta of Nile in Egypt, as affected by various ranges of pH values and different temperature degrees,was extensively investigated. The maximum removal efficiency of S. delica for Zn(II) and Cd(II) was obtained at pH 8 and for Pb(II) was at pH 6 whilst the removal efficiency of T. viride was found to be optimum at pH 6 for the three applied heavy metals. Regardless the median lethal doses of the three heavy metals, Zn recorded the highest bioaccumulation potency by S. delica at all pH values except at pH 4, followed by Pb whereas Cd showed the lowest removal potency by the fungal species and vice versa in case of T. viride. The optimum biomass dry weight production by S. delica was found when the fungus was grown in the medium treated with the heavy metal Pb at pH 6, followed by Zn at pH 8 and Cd at pH 8. The optimum biomass dry weight yield by T. viride amended with Zn,Pb and Cd was obtained at pH 6 for the three heavy metals with the maximum value at Zn. The highest yield of biomass dry weight was found when T. viride treated with Cd at all different pH values followed by Pb whilst Zn output was the lowest and this result was reversed in case of S. delica. The maximum removal efficiency and the biomass dry weight production for the three tested heavy metals was obtained at the incubation temperature 20℃ in case of S. delica while it was 25℃ for T. viride. Incubation of T. viride at higher temperatures (30℃ and 35℃) enhanced the removal efficiency of Pb and Cd than low temperatures (15℃ and 20℃) and vice versa in case of Zn removal. At all tested incubation temperatures, the maximum yield of biomass dry weight was attained at Zn treatment by the two tested fungal species. The bioaccumulation potency of S. delica for Zn was higher than that for Pb at all

  17. Removal Efficiency of the Heavy Metals Zn(II), Pb(II) and Cd(II) by Saprolegnia delica and Trichoderma viride at Different pH Values and Temperature Degrees

    PubMed Central

    Hashem, Mohamed

    2007-01-01

    The removal efficiency of the heavy metals Zn, Pb and Cd by the zoosporic fungal species Saprolegnia delica and the terrestrial fungus Trichoderma viride, isolated from polluted water drainages in the Delta of Nile in Egypt, as affected by various ranges of pH values and different temperature degrees,was extensively investigated. The maximum removal efficiency of S. delica for Zn(II) and Cd(II) was obtained at pH 8 and for Pb(II) was at pH 6 whilst the removal efficiency of T. viride was found to be optimum at pH 6 for the three applied heavy metals. Regardless the median lethal doses of the three heavy metals, Zn recorded the highest bioaccumulation potency by S. delica at all pH values except at pH 4, followed by Pb whereas Cd showed the lowest removal potency by the fungal species and vice versa in case of T. viride. The optimum biomass dry weight production by S. delica was found when the fungus was grown in the medium treated with the heavy metal Pb at pH 6, followed by Zn at pH 8 and Cd at pH 8. The optimum biomass dry weight yield by T. viride amended with Zn,Pb and Cd was obtained at pH 6 for the three heavy metals with the maximum value at Zn. The highest yield of biomass dry weight was found when T. viride treated with Cd at all different pH values followed by Pb whilst Zn output was the lowest and this result was reversed in case of S. delica. The maximum removal efficiency and the biomass dry weight production for the three tested heavy metals was obtained at the incubation temperature 20℃ in case of S. delica while it was 25℃ for T. viride. Incubation of T. viride at higher temperatures (30℃ and 35℃) enhanced the removal efficiency of Pb and Cd than low temperatures (15℃ and 20℃) and vice versa in case of Zn removal. At all tested incubation temperatures, the maximum yield of biomass dry weight was attained at Zn treatment by the two tested fungal species. The bioaccumulation potency of S. delica for Zn was higher than that for Pb at all

  18. Thermodynamics of metal cation binding by a solid soil derived humic acid. 2. Binding of Mn(II), Co(NH3)6aq3+ and Hg(II).

    PubMed

    Ghabbour, Elham A; Shaker, Medhat; El-Toukhy, Ahmed; Abid, Ismail M; Davies, Geoffrey

    2006-07-01

    Metal binding is an important function of humic acids (HAs) in soils, sediments and waters. At pH 2.0, Mn(II) and Co(NH3)6aq3+ bind tightly in one step labeled A to a solid humic acid NHA isolated from a New Hampshire soil. Two consecutive steps are observed for Hg(II) binding. All the binding isotherms fit the Langmuir model in the temperature range 10.0-50.0 degrees C. Stoichiometric site capacities indicate predominant binding by charge-neutralizing HA carboxylate groups for Mn(II) and the second step A of Hg(II) binding. The binding affinity order in step A is Co(NH3)(6)3+>Hg(II)>Mn(II). Metal binding enthalpy and entropy changes fit the linear correlation found previously for binding of other metal cations by solid HAs. Free energy buffering from cooperative enthalpy and entropy changes and lower enthalpies for metal-HA interactions in solution suggest that desolvation of the cations and HA binding sites as well as HA conformational changes to allow for inner-sphere complexation predominate metal binding by hydrated solid HAs.

  19. RHAPSODY-G simulations - II. Baryonic growth and metal enrichment in massive galaxy clusters

    NASA Astrophysics Data System (ADS)

    Martizzi, Davide; Hahn, Oliver; Wu, Hao-Yi; Evrard, August E.; Teyssier, Romain; Wechsler, Risa H.

    2016-07-01

    We study the evolution of the stellar component and the metallicity of both the intracluster medium and of stars in massive (Mvir ≈ 6 × 1014 M⊙ h-1) simulated galaxy clusters from the RHAPSODY-G suite in detail and compare them to observational results. The simulations were performed with the AMR code RAMSES and include the effect of active galactic nucleus (AGN) feedback at the subgrid level. AGN feedback is required to produce realistic galaxy and cluster properties and plays a role in mixing material in the central regions and regulating star formation in the central galaxy. In both our low- and high-resolution runs with fiducial stellar yields, we find that stellar and ICM metallicities are a factor of 2 lower than in observations. We find that cool core clusters exhibit steeper metallicity gradients than non-cool core clusters, in qualitative agreement with observations. We verify that the ICM metallicities measured in the simulation can be explained by a simple `regulator' model in which the metallicity is set by a balance of stellar yield and gas accretion. It is plausible that a combination of higher resolution and higher metal yield in AMR simulation would allow the metallicity of simulated clusters to match observed values; however, this hypothesis needs to be tested with future simulations. Comparison to recent literature highlights that results concerning the metallicity of clusters and cluster galaxies might depend sensitively on the scheme chosen to solve the hydrodynamics.

  20. Alginate and Algal-Based Beads for the Sorption of Metal Cations: Cu(II) and Pb(II)

    PubMed Central

    Wang, Shengye; Vincent, Thierry; Faur, Catherine; Guibal, Eric

    2016-01-01

    Alginate and algal-biomass (Laminaria digitata) beads were prepared by homogeneous Ca ionotropic gelation. In addition, glutaraldehyde-crosslinked poly (ethyleneimine) (PEI) was incorporated into algal beads. The three sorbents were characterized by scanning electron microscopy (SEM) coupled with energy dispersive X-ray analysis (EDX): the sorption occurs in the whole mass of the sorbents. Sorption experiments were conducted to evaluate the impact of pH, sorption isotherms, and uptake kinetics. A special attention was paid to the effect of drying (air-drying vs. freeze-drying) on the mass transfer properties. For alginate, freeze drying is required for maintaining the porosity of the hydrogel, while for algal-based sorbents the swelling of the material minimizes the impact of the drying procedure. The maximum sorption capacities observed from experiments were 415, 296 and 218 mg Pb g−1 and 112, 77 and 67 mg Cu g−1 for alginate, algal and algal/PEI beads respectively. Though the sorption capacities of algal-beads decreased slightly (compared to alginate beads), the greener and cheaper one-pot synthesis of algal beads makes this sorbent more competitive for environmental applications. PEI in algal beads decreases the sorption properties in the case of the sorption of metal cations under selected experimental conditions. PMID:27598128

  1. Alginate and Algal-Based Beads for the Sorption of Metal Cations: Cu(II) and Pb(II).

    PubMed

    Wang, Shengye; Vincent, Thierry; Faur, Catherine; Guibal, Eric

    2016-01-01

    Alginate and algal-biomass (Laminaria digitata) beads were prepared by homogeneous Ca ionotropic gelation. In addition, glutaraldehyde-crosslinked poly (ethyleneimine) (PEI) was incorporated into algal beads. The three sorbents were characterized by scanning electron microscopy (SEM) coupled with energy dispersive X-ray analysis (EDX): the sorption occurs in the whole mass of the sorbents. Sorption experiments were conducted to evaluate the impact of pH, sorption isotherms, and uptake kinetics. A special attention was paid to the effect of drying (air-drying vs. freeze-drying) on the mass transfer properties. For alginate, freeze drying is required for maintaining the porosity of the hydrogel, while for algal-based sorbents the swelling of the material minimizes the impact of the drying procedure. The maximum sorption capacities observed from experiments were 415, 296 and 218 mg Pb g(-1) and 112, 77 and 67 mg Cu g(-1) for alginate, algal and algal/PEI beads respectively. Though the sorption capacities of algal-beads decreased slightly (compared to alginate beads), the greener and cheaper one-pot synthesis of algal beads makes this sorbent more competitive for environmental applications. PEI in algal beads decreases the sorption properties in the case of the sorption of metal cations under selected experimental conditions. PMID:27598128

  2. Method for photon activation positron annihilation analysis

    DOEpatents

    Akers, Douglas W.

    2006-06-06

    A non-destructive testing method comprises providing a specimen having at least one positron emitter therein; determining a threshold energy for activating the positron emitter; and determining whether a half-life of the positron emitter is less than a selected half-life. If the half-life of the positron emitter is greater than or equal to the selected half-life, then activating the positron emitter by bombarding the specimen with photons having energies greater than the threshold energy and detecting gamma rays produced by annihilation of positrons in the specimen. If the half-life of the positron emitter is less then the selected half-life, then alternately activating the positron emitter by bombarding the specimen with photons having energies greater then the threshold energy and detecting gamma rays produced by positron annihilation within the specimen.

  3. Global Properties of M31's Stellar Halo from the SPLASH Survey. II. Metallicity Profile

    NASA Astrophysics Data System (ADS)

    Gilbert, Karoline M.; Kalirai, Jason S.; Guhathakurta, Puragra; Beaton, Rachael L.; Geha, Marla C.; Kirby, Evan N.; Majewski, Steven R.; Patterson, Richard J.; Tollerud, Erik J.; Bullock, James S.; Tanaka, Mikito; Chiba, Masashi

    2014-12-01

    We present the metallicity distribution of red giant branch (RGB) stars in M31's stellar halo, derived from photometric metallicity estimates for over 1500 spectroscopically confirmed RGB halo stars. The stellar sample comes from 38 halo fields observed with the Keck/DEIMOS spectrograph, ranging from 9 to 175 kpc in projected distance from M31's center, and includes 52 confirmed M31 halo stars beyond 100 kpc. While a wide range of metallicities is seen throughout the halo, the metal-rich peak of the metallicity distribution function becomes significantly less prominent with increasing radius. The metallicity profile of M31's stellar halo shows a continuous gradient from 9 to ~100 kpc, with a magnitude of ~ - 0.01 dex kpc-1. The stellar velocity distributions in each field are used to identify stars that are likely associated with tidal debris features. The removal of tidal debris features does not significantly alter the metallicity gradient in M31's halo: a gradient is maintained in fields spanning 10-90 kpc. We analyze the halo metallicity profile, as well as the relative metallicities of stars associated with tidal debris features and the underlying halo population, in the context of current simulations of stellar halo formation. We argue that the large-scale gradient in M31's halo implies M31 accreted at least one relatively massive progenitor in the past, while the field to field variation seen in the metallicity profile indicates that multiple smaller progenitors are likely to have contributed substantially to M31's outer halo. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.

  4. Global properties of M31's stellar halo from the splash survey. II. Metallicity profile

    SciTech Connect

    Gilbert, Karoline M.; Kalirai, Jason S.; Guhathakurta, Puragra; Geha, Marla C.; Tollerud, Erik J.; Kirby, Evan N.; Bullock, James S.; Tanaka, Mikito; Chiba, Masashi

    2014-12-01

    We present the metallicity distribution of red giant branch (RGB) stars in M31's stellar halo, derived from photometric metallicity estimates for over 1500 spectroscopically confirmed RGB halo stars. The stellar sample comes from 38 halo fields observed with the Keck/DEIMOS spectrograph, ranging from 9 to 175 kpc in projected distance from M31's center, and includes 52 confirmed M31 halo stars beyond 100 kpc. While a wide range of metallicities is seen throughout the halo, the metal-rich peak of the metallicity distribution function becomes significantly less prominent with increasing radius. The metallicity profile of M31's stellar halo shows a continuous gradient from 9 to ∼100 kpc, with a magnitude of ∼ – 0.01 dex kpc{sup –1}. The stellar velocity distributions in each field are used to identify stars that are likely associated with tidal debris features. The removal of tidal debris features does not significantly alter the metallicity gradient in M31's halo: a gradient is maintained in fields spanning 10-90 kpc. We analyze the halo metallicity profile, as well as the relative metallicities of stars associated with tidal debris features and the underlying halo population, in the context of current simulations of stellar halo formation. We argue that the large-scale gradient in M31's halo implies M31 accreted at least one relatively massive progenitor in the past, while the field to field variation seen in the metallicity profile indicates that multiple smaller progenitors are likely to have contributed substantially to M31's outer halo.

  5. A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases.

    PubMed

    Schmidt, Bryan H; Burgin, Alex B; Deweese, Joseph E; Osheroff, Neil; Berger, James M

    2010-06-01

    Type II topoisomerases are required for the management of DNA tangles and supercoils, and are targets of clinical antibiotics and anti-cancer agents. These enzymes catalyse the ATP-dependent passage of one DNA duplex (the transport or T-segment) through a transient, double-stranded break in another (the gate or G-segment), navigating DNA through the protein using a set of dissociable internal interfaces, or 'gates'. For more than 20 years, it has been established that a pair of dimer-related tyrosines, together with divalent cations, catalyse G-segment cleavage. Recent efforts have proposed that strand scission relies on a 'two-metal mechanism', a ubiquitous biochemical strategy that supports vital cellular processes ranging from DNA synthesis to RNA self-splicing. Here we present the structure of the DNA-binding and cleavage core of Saccharomyces cerevisiae topoisomerase II covalently linked to DNA through its active-site tyrosine at 2.5A resolution, revealing for the first time the organization of a cleavage-competent type II topoisomerase configuration. Unexpectedly, metal-soaking experiments indicate that cleavage is catalysed by a novel variation of the classic two-metal approach. Comparative analyses extend this scheme to explain how distantly-related type IA topoisomerases cleave single-stranded DNA, unifying the cleavage mechanisms for these two essential enzyme families. The structure also highlights a hitherto undiscovered allosteric relay that actuates a molecular 'trapdoor' to prevent subunit dissociation during cleavage. This connection illustrates how an indispensable chromosome-disentangling machine auto-regulates DNA breakage to prevent the aberrant formation of mutagenic and cytotoxic genomic lesions.

  6. Theoretical study of the Pb(II)-catechol system in dilute aqueous solution: Complex structure and metal coordination sphere determination

    NASA Astrophysics Data System (ADS)

    Lapouge, Christine; Cornard, Jean-Paul

    2010-04-01

    We investigated the unknown interaction of Pb(II) with catechol ligand in diluted aqueous solution by electronic spectroscopies combined with quantum chemical calculations. The aim of this work is the determination of the complete structure of the complex formed and particularly the metal coordination sphere. Three successive steps have been necessary to reach this goal: (i) the comparison of the experimental electronic absorption spectrum with theoretical spectra calculated from various hypothetical structures, (ii) complexation reaction pathways calculations in vacuum and with taking into account the solvent effects and finally (iii) the fluorescence emission wavelength calculations. All these investigations led to identify a monodentate complex with the monodeprotonated ligand, in which the Pb atom presents a coordination number of five. The formula of the complex is [Pb(Hcat)(HO)4]mono+.

  7. Modeling ecological data in soil ecosystems: A demonstration for heavy metal transport by earthworms using Stella II{trademark}

    SciTech Connect

    Johnston, J.M.; Tomlin, A.D.; Protz, R. ||

    1995-06-01

    Various modeling approaches have been developed for use in aquatic systems, but few exist for terrestrial systems. Using the modeling application software, Stella II{trademark}, we incorporated field data to parameterize the storage compartments and flux rates amongst compartments. This software is intuitive and easy to master yet robust in its application to many types of ecological systems. The applicability of Stella II{trademark} to modeling field data was demonstrated using contaminant cadmium residues as tracers of sludge applications to land near Guelph, Canada. Earthworms were found to be very significant in transporting the Cd (and the sludge) in this soil ecosystem. The utility of this modeling procedure can be extended to carbon and nutrient cycling as well as xenobiotics such as heavy metals and pesticides to predict their transport in soil ecosystems.

  8. A curious interplay in the films of N-heterocyclic carbene PtII complexes upon deposition of alkali metals

    PubMed Central

    Makarova, Anna A.; Grachova, Elena V.; Niedzialek, Dorota; Solomatina, Anastasia I.; Sonntag, Simon; Fedorov, Alexander V.; Vilkov, Oleg Yu.; Neudachina, Vera S.; Laubschat, Clemens; Tunik, Sergey P.; Vyalikh, Denis V.

    2016-01-01

    The recently synthesized series of PtII complexes containing cyclometallating (phenylpyridine or benzoquinoline) and N-heterocyclic carbene ligands possess intriguing structures, topologies, and light emitting properties. Here, we report curious physicochemical interactions between in situ PVD-grown films of a typical representative of the aforementioned PtII complex compounds and Li, Na, K and Cs atoms. Based on a combination of detailed core-level photoelectron spectroscopy and quantum-chemical calculations at the density functional theory level, we found that the deposition of alkali atoms onto the molecular film leads to unusual redistribution of electron density: essential modification of nitrogen sites, reduction of the coordination PtII centre to Pt0 and decrease of electron density on the bromine atoms. A possible explanation for this is formation of a supramolecular system “Pt complex-alkali metal ion”; the latter is supported by restoration of the system to the initial state upon subsequent oxygen treatment. The discovered properties highlight a considerable potential of the PtII complexes for a variety of biomedical, sensing, chemical, and electronic applications. PMID:27151364

  9. A curious interplay in the films of N-heterocyclic carbene Pt(II) complexes upon deposition of alkali metals.

    PubMed

    Makarova, Anna A; Grachova, Elena V; Niedzialek, Dorota; Solomatina, Anastasia I; Sonntag, Simon; Fedorov, Alexander V; Vilkov, Oleg Yu; Neudachina, Vera S; Laubschat, Clemens; Tunik, Sergey P; Vyalikh, Denis V

    2016-01-01

    The recently synthesized series of Pt(II) complexes containing cyclometallating (phenylpyridine or benzoquinoline) and N-heterocyclic carbene ligands possess intriguing structures, topologies, and light emitting properties. Here, we report curious physicochemical interactions between in situ PVD-grown films of a typical representative of the aforementioned Pt(II) complex compounds and Li, Na, K and Cs atoms. Based on a combination of detailed core-level photoelectron spectroscopy and quantum-chemical calculations at the density functional theory level, we found that the deposition of alkali atoms onto the molecular film leads to unusual redistribution of electron density: essential modification of nitrogen sites, reduction of the coordination Pt(II) centre to Pt(0) and decrease of electron density on the bromine atoms. A possible explanation for this is formation of a supramolecular system "Pt complex-alkali metal ion"; the latter is supported by restoration of the system to the initial state upon subsequent oxygen treatment. The discovered properties highlight a considerable potential of the Pt(II) complexes for a variety of biomedical, sensing, chemical, and electronic applications. PMID:27151364

  10. The Wilson-Bappu effect of the MgII K line - dependence on stellar temperature, activity and metallicity

    NASA Astrophysics Data System (ADS)

    Elgarøy, Øystein; Engvold, Oddbjørn; Lund, Niels

    1999-03-01

    The Wilson-Bappu effect is investigated using accurate absolute magnitudes of 65 stars obtained through early release of data from the Hipparcos satellite together with MgII k line widths determined from high resolution spectra observed with the International Ultraviolet Explorer (IUE) observatory. Stars of spectral classes F, G, K and M and luminosity classes I-V are represented in the sample. Wilson-Bappu relations for the Mg II k line for stars of different temperatures i.e. spectral classes are determined. The relation varies with spectral class and there is a significant scatter of the line widths around the regression lines. The sample contains slowly rotating stars of different activity levels and is suitable for investigations of a possible relation between line width and stellar activity. A difference in behavior between dwarfs and giants (and supergiants) of spectral class K seems to be present. Magnetic activity affects the width of the Mg II k line in dwarfs. Metallicity is found to influence the Mg II k line width in giants and supergiants. Possible interpretations of the new results are briefly discussed.

  11. Spectral characterization, electrochemical and anticancer studies on some metal(II) complexes containing tridentate quinoxaline Schiff base

    NASA Astrophysics Data System (ADS)

    Chellaian, Justin Dhanaraj; Johnson, Jijo

    2014-06-01

    Co(II), Ni(II), Cu(II) and Zn(II) complexes of a tridentate ONO donor Schiff base ligand derived from 3-(2-aminoethylamino)quinoxalin-2(1H)-one were synthesized. The ligand and its metal complexes were characterized using elemental analysis, molar conductance, IR, 1H NMR, mass, magnetic susceptibility, electronic spectra and ESR spectral studies. Electrochemical behavior of the synthesized compounds was studied using cyclic voltammetry. The grain size of the synthesized compounds was determined by powder XRD. The Schiff base and its complexes have been screened for their antimicrobial activities against the bacterial species E. coli, K. pneumoniae, P. aeruginosa and S. aureus; fungal species include, A. niger, and C. albicans by disc diffusion method. The results show that the complexes have higher activity than the free ligand. The interaction of the complexes with calf thymus DNA (CT DNA) has been investigated by electronic absorption method. Furthermore, the DNA cleavage activity of the complexes was studied using agarose gel electrophoresis. In vitro anticancer studies of the ligand and its complexes using MTT assay was also done.

  12. A curious interplay in the films of N-heterocyclic carbene PtII complexes upon deposition of alkali metals

    NASA Astrophysics Data System (ADS)

    Makarova, Anna A.; Grachova, Elena V.; Niedzialek, Dorota; Solomatina, Anastasia I.; Sonntag, Simon; Fedorov, Alexander V.; Vilkov, Oleg Yu.; Neudachina, Vera S.; Laubschat, Clemens; Tunik, Sergey P.; Vyalikh, Denis V.

    2016-05-01

    The recently synthesized series of PtII complexes containing cyclometallating (phenylpyridine or benzoquinoline) and N-heterocyclic carbene ligands possess intriguing structures, topologies, and light emitting properties. Here, we report curious physicochemical interactions between in situ PVD-grown films of a typical representative of the aforementioned PtII complex compounds and Li, Na, K and Cs atoms. Based on a combination of detailed core-level photoelectron spectroscopy and quantum-chemical calculations at the density functional theory level, we found that the deposition of alkali atoms onto the molecular film leads to unusual redistribution of electron density: essential modification of nitrogen sites, reduction of the coordination PtII centre to Pt0 and decrease of electron density on the bromine atoms. A possible explanation for this is formation of a supramolecular system “Pt complex-alkali metal ion” the latter is supported by restoration of the system to the initial state upon subsequent oxygen treatment. The discovered properties highlight a considerable potential of the PtII complexes for a variety of biomedical, sensing, chemical, and electronic applications.

  13. Solvent-Mediated Transformation from Achiral to Chiral Nickel(II) Metal-Organic Frameworks and Reassembly in Solution.

    PubMed

    Li, Xiaoju; Yu, Zhenjiang; Li, Xinxiong; Guo, Xiaofang

    2015-11-01

    Reactions of 5-nitroisophthalic acid (NO2 -H2 ip), 1,4-bis(imidazol-1'-yl)butane (bimb), and Ni(NO3 )2 ⋅6 H2 O gave rise to four metal-organic frameworks (MOFs), [Ni2 (NO2 -ip)2 (bimb)1.5 ]n (1), [Ni4 (NO2 -ip)3 (bimb)2 (OH)2 (H2 O)]n ⋅(CH3 CH2 OH)0.5 n (2), [Ni(NO2 -ip)(bimb)1.5 (H2 O)]n ⋅(H2 O)n ⋅(CH3 CH2 OH)0.5 n (3), and [Ni(NO2 -ip) (bimb)(μ-H2 O)]n ⋅(H2 O)n (4). The metal/ligand ratio, pH value, and solvent exerted a subtle but crucial influence on the formation of complexes 1-4, which possess different visual color and crystal structures. Complex 1 exhibits a twofold interpenetrating 3D pillared bilayer framework composed of binuclear and mononuclear Ni(II) units, whereas complex 2 is a 3D chiral network that consists of asymmetric tetranuclear Ni(II) units. Complexes 3 and 4 are 3D layer-pillared frameworks that consist of mononuclear Ni(II) ions and a 3D six-connected network of μ-water-bridged dinuclear Ni(II) units, respectively. Interestingly, achiral 4 can be transformed into chiral 2 by using a solvent-mediated single-crystal-to-single-crystal process without any chiral auxiliary. Magnetic analyses of 2 and 4 show the occurrence of antiferromagnetic interactions. Complex 3 is difficult to obtain directly as a single solid phase, but it can be homogeneously formed by solvent-mediated transformations from 1, 2, and 4.

  14. Multi-component synthesis of 2-amino-6-(alkyllthio)pyridine-3,5-dicarbonitriles using Zn(II) and Cd(II) metal-organic frameworks (MOFs) under solvent-free conditions

    PubMed Central

    Thimmaiah, Muralidhara; Li, Peng; Regati, Sridhar; Chen, Banglin; Zhao, John Cong-Gui

    2012-01-01

    Multi-component synthesis 2-amino-3,5-dicarbonitrile-6-thio-pyridines has been developed by using the reaction of aldehydes, malononitrile, and thiophenols in the presence of a Zn (II) or a Cd(II) metal-organic framework (MOF) as the heterogeneous catalyst. This protocol tolerates different functional groups on the substrates and does not require the use of any organic solvent. Moreover, the Zn(II) and Cd (II) MOF catalysts can be recovered and reused for a number of runs without loss of activity. PMID:23002309

  15. An in vitro comparison of metal and transparent matrices used for bonded class II resin composite restorations.

    PubMed

    Müllejans, Rolf; Badawi, M O F; Raab, W H M; Lang, H

    2003-01-01

    This study compared excess formation of direct bonded Class II restorations using different matrix systems-metal or transparent. Sixty freshly extracted, non-carious, posterior human teeth were used. In all of the teeth, standardized MOD-cavities were prepared with the gingivoproximal margins located 1.0-1.5 mm cervical to the cemento-enamel junction. The prepared teeth were randomly assigned to six groups. Half were restored using metal matrices and wooden wedges; the other half were restored using transparent matrices and reflective wedges. Three different material systems were used to fill the cavities: 1) a hybrid composite (Tetric) plus an adhesive bonding agent (Syntac Classic), 2) a flowable composite (Tetric Flow) plus Syntac Classic and 3) a compomer (Dyract AP) together with an adhesive bonding agent designed for compomers (Prime & Bond NT). After the specimens were preserved in saline solution, scanning electron microscopy (SEM) assessed the amount of overhang formation at the restoration margins. The data collected indicated the use of transparent matrices resulted in significantly higher amounts of excess material at the restoration margins compared with metal matrices. Moreover, there was no significant difference between the materials when the same matrix was used. All of the dental restorations examined displayed material overhang. Based on these findings, the authors concluded that the type of matrix exerts a major impact on overhang formation, with metal matrices resulting in significantly less excess material buildup.

  16. Dinuclear metal(ii)-acetato complexes based on bicompartmental 4-chlorophenolate: syntheses, structures, magnetic properties, DNA interactions and phosphodiester hydrolysis.

    PubMed

    Massoud, Salah S; Ledet, Catherine C; Junk, Thomas; Bosch, Simone; Comba, Peter; Herchel, Radovan; Hošek, Jan; Trávníček, Zdeněk; Fischer, Roland C; Mautner, Franz A

    2016-08-01

    A series of dinuclear metal(ii)-acetato complexes: [Ni2(μ-L(Cl)O)(μ2-OAc)2](PF6)·3H2O (1), [Ni2(μ-L(Cl)O)(μ2-OAc)2](ClO4)·CH3COCH3 (2), [Cu2(μ-L(Cl)O)(μ2-OAc)(ClO4)](ClO4) (3), [Cu2(μ-L(Cl)O)(OAc)2](PF6)·H2O (4), [Zn2(μ-L(Cl)O)(μ2-OAc)2](PF6) (5) and [Mn2(L(Cl)-O)(μ2-OAc)2](ClO4)·H2O (6), where L(Cl)O(-) = 2,6-bis[bis(2-pyridylmethyl)aminomethyl]-4-chlorophenolate, were synthesized. The complexes were structurally characterized by spectroscopic techniques and single crystal X-ray crystallography. Six-coordinate geometries with doubly bridged acetato ligands were found in Ni(ii), Zn(ii) and Mn(ii) complexes 1, 2, 5 and 6, whereas with Cu(ii) complexes a five-coordinate species was obtained with 4, and mixed five- and six-coordinate geometries with a doubly bridged dimetal core were observed in 3. The magnetic properties of complexes 1-4 and 6 were studied at variable temperatures and revealed weak to very weak antiferromagnetic interactions in 1, 2, 4 and 6 (J = -0.55 to -9.4 cm(-1)) and ferromagnetic coupling in 3 (J = 15.4 cm(-1)). These results are consistent with DFT calculations performed at the B3LYP/def2-TZVP(-f) level of theory. Under physiological conditions, the interaction of the dinculear complexes 1-5 with supercoiled plasmid ds-DNA did not show any pronounced nuclease activity, but Ni(ii) complexes 1 and 2 revealed a strong ability to unwind the supercoiled conformation of ds-DNA. The mechanistic studies performed on the interaction of the Ni(ii) complexes with DNA demonstrated the important impact of the nickel(ii) ion in the unwinding process. In combination with the DNA study, the phosphatase activity of complexes 1, 3, and 5 was examined by the phosphodiester hydrolysis of bis(2,4-dinitrophenol)phosphate (BDNPP) in the pH range of 5.5-10.5 at 25 °C. The Michaelis-Menten kinetics performed at pH 7 and 10.7 showed that catalytic efficiencies kcat/KM (kcat = catalytic rate constant, KM = substrate binding constant) decrease in the order

  17. Isotopic studies of the metal-ligand vibrations in histamine complexes with Copper(II)

    NASA Astrophysics Data System (ADS)

    Drożdżewski, Piotr; Kordon, Ewa

    2000-06-01

    Two known copper complexes of the formulae Cu(hm) 2(ClO 4) 2, Cu(hm)Cl 2 and new, Cu(hm)Br 2 (hm=histamine) have been investigated in the 600-50 cm -1 far-infrared region. Assignments of vibrations related to metal-ligand bonds have been made based on metal isotope substitution, partial deuteration and halogen sensitivity. Copper-hm stretching vibrations have been localised at 420, 417 and 411 cm -1 for modes involving amine nitrogen and at 282, 270, 259 cm -1 for those of imidazole nitrogen. Vibrational coupling between some metal-ligand modes has been postulated.

  18. Positron accumulation effect in particles embedded in a low-density matrix

    SciTech Connect

    Dryzek, Jerzy; Siemek, Krzysztof

    2015-02-07

    Systematic studies of the so-called positron accumulation effect for samples with particles embedded in a matrix are reported. This effect is related to energetic positrons which penetrate inhomogeneous medium. Due to differences in the linear absorption coefficient, different amounts of positrons are accumulated and annihilate in the identical volume of both materials. Positron lifetime spectroscopy and Doppler broadening of the annihilation line using Na-22 positrons were applied to the studies of the epoxy resin samples with embedded micro-sized particles of transition metals, i.e., Ni, Sn, Mo, W, and nonmetal particles, i.e., Si and NaF. The significant difference between the determined fraction of positrons annihilating in the particles and the particle volume fraction indicates the positron accumulation effect. The simple phenomenological model and Monte Carlo simulations are able to describe the main features of the obtained dependencies. The aluminum alloy with embedded Sn nanoparticles is also considered for demonstration differences between the accumulation and another related effect, i.e., the positron affinity.

  19. Analysis of positron lifetime spectra in polymers

    NASA Technical Reports Server (NTRS)

    Singh, Jag J.; Mall, Gerald H.; Sprinkle, Danny R.

    1988-01-01

    A new procedure for analyzing multicomponent positron lifetime spectra in polymers was developed. It requires initial estimates of the lifetimes and the intensities of various components, which are readily obtainable by a standard spectrum stripping process. These initial estimates, after convolution with the timing system resolution function, are then used as the inputs for a nonlinear least squares analysis to compute the estimates that conform to a global error minimization criterion. The convolution integral uses the full experimental resolution function, in contrast to the previous studies where analytical approximations of it were utilized. These concepts were incorporated into a generalized Computer Program for Analyzing Positron Lifetime Spectra (PAPLS) in polymers. Its validity was tested using several artificially generated data sets. These data sets were also analyzed using the widely used POSITRONFIT program. In almost all cases, the PAPLS program gives closer fit to the input values. The new procedure was applied to the analysis of several lifetime spectra measured in metal ion containing Epon-828 samples. The results are described.

  20. New heterocycle modified chitosan adsorbent for metal ions (II) removal from aqueous systems.

    PubMed

    Kandile, Nadia G; Mohamed, Hemat M; Mohamed, Mansoura I

    2015-01-01

    A new hydrogel based on a modified chitosan CS-B was synthesized and evaluated for its metal ion removal from aqueous systems. The CS-B hydrogel was prepared through modification of chitosan with 4-((1, 3-dioxoisoindolin-2-ylimino) methyl) benzaldehyde as a heterocyclic component. The new hydrogel was analyzed by diverse techniques such as FTIR, XRD, TGA, SEM, and swelling tests. The adsorption capacity of CS-B for metal ions Co(2+), Hg(2+), Cu(2+), Zn(2+), and Pb(2+) from aqueous systems at different pH values showed various levels of efficiency. The metal ion uptake data over a range of pH values for Co(2+) and Hg(2+) showed the highest adsorption capacity while Cu(2+), Zn(2+), and Pb(2+) showed moderate adsorption capacity. Selective metal ion efficiency was highest for Co(2+) and lowest for Hg(2+) in their binary mixture.

  1. Performance of the (n,γ)-Based Positron Beam Facility NEPOMUC

    NASA Astrophysics Data System (ADS)

    Schreckenbach, K.; Hugenschmidt, C.; Löwe, B.; Maier, J.; Pikart, P.; Piochacz, C.; Stadlbauer, M.

    2009-01-01

    The in-pile positron source of NEPOMUC at the neutron source Heinz Maier-Leibnitz (FRM II) provides at the experimental site an intense beam of monoenergetic positrons with selectable energy between 15 eV and 3 keV. The principle of the source is based on neutron capture gamma rays produced by cadmium in a beam tube tip close to the reactor core. The gamma ray absorption in platinum produces positrons which are moderated and formed to the beam. An unprecedented beam intensity of 9.108 e+/s is achieved (1 keV). The performance and applications of the facility are presented.

  2. Galaxy evolution in cosmological simulations with outflows - II. Metallicities and gas fractions

    NASA Astrophysics Data System (ADS)

    Davé, Romeel; Finlator, Kristian; Oppenheimer, Benjamin D.

    2011-09-01

    We use cosmological hydrodynamic simulations to investigate how inflows, star formation and outflows govern the gaseous and metal content of galaxies within a hierarchical structure formation context. In our simulations, galaxy metallicities are established by a balance between inflows and outflows as governed by the mass outflow rate, implying that the mass-metallicity relation reflects how the outflow rate varies with stellar mass. Gas content, meanwhile, is set by a competition between inflow into and gas consumption within the interstellar medium, the latter being governed by the star formation law, while the former is impacted by both wind recycling and preventive feedback. Stochastic variations in the inflow rate move galaxies off the equilibrium mass-metallicity and mass-gas fraction relations in a manner correlated with the star formation rate, and the scatter is set by the time-scale to re-equilibrate. The evolution of both relations from z= 3 → 0 is slow, as individual galaxies tend to evolve mostly along the relations. Gas fractions at a given stellar mass slowly decrease with time because the cosmic inflow rate diminishes faster than the consumption rate, while metallicities slowly increase as infalling gas becomes more enriched. Observations from z˜ 3 → 0 are better matched by simulations employing momentum-driven wind scalings rather than constant wind speeds, but all models predict too low gas fractions at low masses and too high metallicities at high masses. All our models reproduce observed second-parameter trends of the mass-metallicity relation with the star formation rate and environment, indicating that these are a consequence of equilibrium and not feedback. Overall, the analytical framework of our equilibrium scenario broadly captures the relevant physics establishing the galaxy gas and metal content in simulations, which suggests that the cycle of baryonic inflows and outflows centrally governs the cosmic evolution of these properties

  3. Cubane-type Cu(II)4 and Mn(II)2Mn(III)2 complexes based on pyridoxine: a versatile ligand for metal assembling.

    PubMed

    Marino, Nadia; Armentano, Donatella; Mastropietro, Teresa F; Julve, Miguel; De Munno, Giovanni; Martínez-Lillo, José

    2013-10-21

    By using Vitamin B6 in its monodeprotonated pyridoxine form (PN-H) [PN = 3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine], two tetranuclear compounds of formula [Mn4(PN-H)4(CH3CO2)3Cl2]Cl·2CH3OH·2H2O (1) and [Cu4(PN-H)4Cl2(H2O)2]Cl2 (2) have been synthesized and magneto-structurally characterized. 1 crystallizes in the triclinic system with space group P1 whereas 2 crystallizes in the orthorhombic system with Fdd2 as space group. They exhibit Mn(II)2Mn(III)2 (1) and Cu(II)4 (2) cubane cores containing four monodeprotonated pyridoxine groups simultaneously acting as chelating and bridging ligands (1 and 2), three bridging acetate ligands in the syn-syn conformation (1), and two terminally bound chloride anions (1 and 2) plus two coordinated water molecules (2). The electroneutrality is achieved by the presence of chloride counterions in both compounds. Tri- [Mn(1) and Mn(3)] and divalent [Mn(2) and Mn(4)] manganese centers coexist in 1, all being six-coordinate with distorted Mn(1/3)O6 and Mn(2/4)O5Cl octahedral surroundings, respectively, the equatorial Mn-O bonds being about 0.2 Å shorter at the former ones. The two crystallographically independent copper(II) ions in 2 are five-coordinate in somewhat distorted CuO5 [Cu(1)] and CuO4Cl [Cu(2)] square pyramidal geometries. The values of the intracore metal-metal separation cover the ranges 3.144(1)-3.535(1) (1) and 2.922(6)-3.376(1) Å (2). The magnetic properties of 1 and 2 were investigated in the temperature range 1.9-300 K, and they correspond to an overall antiferromagnetic behavior with susceptibility maxima at 5.0 (1) and 65.0 K (2). The analysis of the magnetic susceptibility data showed the coexistence of intracore antiferro- and ferromagnetic interactions in the two compounds. Their values compare well with those existing in the literature for the parent systems.

  4. Synthesis, spectroscopic characterization and biological activities of N4O2 Schiff base ligand and its metal complexes of Co(II), Ni(II), Cu(II) and Zn(II)

    NASA Astrophysics Data System (ADS)

    Al-Resayes, Saud I.; Shakir, Mohammad; Abbasi, Ambreen; Amin, Kr. Mohammad Yusuf; Lateef, Abdul

    The Schiff base ligand, bis(indoline-2-one)triethylenetetramine (L) obtained from condensation of triethylenetetramine and isatin was used to synthesize the complexes of type, [ML]Cl2 [M = Co(II), Ni(II), Cu(II) and Zn(II)]. L was characterized on the basis of the results of elemental analysis, FT-IR, 1H and 13C NMR, mass spectroscopic studies. The stoichiometry, bonding and stereochemistries of complexes were ascertained on the basis of results of elemental analysis, magnetic susceptibility values, molar conductance and various spectroscopic studies. EPR, UV-vis and magnetic moments revealed an octahedral geometry for complexes. L and its Cu(II) and Zn(II) complexes were screened for their antibacterial activity. Analgesic activity of Cu(II) and Zn(II) complexes was also tested in rats by tail flick method. Both complexes were found to possess good antibacterial and moderate analgesic activity.

  5. Mixed ligand two dimensional Cd(ii)/Ni(ii) metal organic frameworks containing dicarboxylate and tripodal N-donor ligands: Cd(ii) MOF is an efficient luminescent sensor for detection of picric acid in aqueous media.

    PubMed

    Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi

    2016-05-01

    Two dimensional metal organic frameworks (MOFs) [Cd(5-BrIP)(TIB)]n () and [Ni2(5-BrIP)2(TIB)2]n (), involving the aromatic polycarboxylate ligand 5-bromo isophthalic acid (H2BrIP), flexible tripodal ligand 1,3,5-tris(imidazol-1-ylmethyl)benzene (TIB) and Cd(ii)/Ni(ii) metal nodes have been synthesized by different methods. These compounds were characterized by various analytical methods, and variable temperature X-ray diffraction data showed thermal stability of both MOFs up to 350 °C. Phase purity as well as water stability of the MOFs were established by powder X-ray diffraction, and the structural diversity of the compounds were investigated by single-crystal X-ray diffraction. Both the MOFs are mixed ligand 2D nets, and the topology of the network can be described as a binodal 3,5-c connected net with 3,5L2 topology having the point symbol {4(2)·6(7)·8}{4(2)·6}. Sensing of picric acid [2,4,6-trinitrophenol, TNP] by luminescence quenching among a large range of nitroanalytes in aqueous phase by the Cd(ii) luminescent MOF (LMOF) were been investigated. Structural studies on 1 : 1 co-crystals () of TIB and TNP were carried out. The selective and sensitive fluorescence quenching response of towards electron-deficient TNP over other nitro analytes in aqueous phase was demonstrated by fluorescence quenching titration. Concomitant occurrence of electron transfer/energy transfer processes and electrostatic interaction favours the selective sensing of TNP. A Cd(ii) LMOF ()-coated paper strip that we developed demonstrated fast and selective response to TNP, by the complete quenching of the blue fluorescence upon excitation of the paper strip at 365 nm radiation in its presence. PMID:27067118

  6. The Metal Abundances across Cosmic Time (MACT) Survey. II. Evolution of the Mass–metallicity Relation over 8 Billion Years, Using [OIII]4363AA-based Metallicities

    NASA Astrophysics Data System (ADS)

    Ly, Chun; Malkan, Matthew A.; Rigby, Jane R.; Nagao, Tohru

    2016-09-01

    We present the first results from MMT and Keck spectroscopy for a large sample of 0.1≤slant z≤slant 1 emission-line galaxies selected from our narrowband imaging in the Subaru Deep Field. We measured the weak [O iii] λ4363 emission line for 164 galaxies (66 with at least 3σ detections, and 98 with significant upper limits). The strength of this line is set by the electron temperature for the ionized gas. Because the gas temperature is regulated by the metal content, the gas-phase oxygen abundance is inversely correlated with [O iii] λ4363 line strength. Our temperature-based metallicity study is the first to span ≈ 8 Gyr of cosmic time and ≈ 3 dex in stellar mass for low-mass galaxies, {log}({M}\\star /{M}ȯ )≈ 6.0–9.0. Using extensive multi-wavelength photometry, we measure the evolution of the stellar mass–gas metallicity relation and its dependence on dust-corrected star formation rate (SFR). The latter is obtained from high signal-to-noise Balmer emission-line measurements. Our mass–metallicity relation is consistent with Andrews & Martini at z≤slant 0.3, and evolves toward lower abundances at a given stellar mass, {log}{({{O/H}})\\propto (1+z)}-{2.32-0.26+0.52}. We find that galaxies with lower metallicities have higher SFRs at a given stellar mass and redshift, although the scatter is large (≈ 0.3 dex) and the trend is weaker than seen in local studies. We also compare our mass–metallicity relation against predictions from high-resolution galaxy formation simulations, and find good agreement with models that adopt energy- and momentum-driven stellar feedback. We identified 16 extremely metal-poor galaxies with abundances of less than a tenth of solar; our most metal-poor galaxy at z≈ 0.84 is similar to I Zw 18.

  7. The Metal Abundances across Cosmic Time (MACT) Survey. II. Evolution of the Mass-metallicity Relation over 8 Billion Years, Using [OIII]4363AA-based Metallicities

    NASA Astrophysics Data System (ADS)

    Ly, Chun; Malkan, Matthew A.; Rigby, Jane R.; Nagao, Tohru

    2016-09-01

    We present the first results from MMT and Keck spectroscopy for a large sample of 0.1≤slant z≤slant 1 emission-line galaxies selected from our narrowband imaging in the Subaru Deep Field. We measured the weak [O iii] λ4363 emission line for 164 galaxies (66 with at least 3σ detections, and 98 with significant upper limits). The strength of this line is set by the electron temperature for the ionized gas. Because the gas temperature is regulated by the metal content, the gas-phase oxygen abundance is inversely correlated with [O iii] λ4363 line strength. Our temperature-based metallicity study is the first to span ≈ 8 Gyr of cosmic time and ≈ 3 dex in stellar mass for low-mass galaxies, {log}({M}\\star /{M}⊙ )≈ 6.0-9.0. Using extensive multi-wavelength photometry, we measure the evolution of the stellar mass-gas metallicity relation and its dependence on dust-corrected star formation rate (SFR). The latter is obtained from high signal-to-noise Balmer emission-line measurements. Our mass-metallicity relation is consistent with Andrews & Martini at z≤slant 0.3, and evolves toward lower abundances at a given stellar mass, {log}{({{O/H}})\\propto (1+z)}-{2.32-0.26+0.52}. We find that galaxies with lower metallicities have higher SFRs at a given stellar mass and redshift, although the scatter is large (≈ 0.3 dex) and the trend is weaker than seen in local studies. We also compare our mass-metallicity relation against predictions from high-resolution galaxy formation simulations, and find good agreement with models that adopt energy- and momentum-driven stellar feedback. We identified 16 extremely metal-poor galaxies with abundances of less than a tenth of solar; our most metal-poor galaxy at z≈ 0.84 is similar to I Zw 18.

  8. Positron emitter labeled enzyme inhibitors

    SciTech Connect

    Fowler, J.S.; MacGregor, R.R.; Wolf, A.P.; Langstrom, B.

    1990-04-03

    This invention involves a new strategy for imaging and mapping enzyme activity in the living human and animal body using positron emitter-labeled suicide enzyme inactivators or inhibitors which become covalently bound to the enzyme as a result of enzymatic catalysis. Two such suicide inactivators for monoamine oxidase have been labeled with carbon-11 and used to map the enzyme subtypes in the living human and animal body using PET. By using positron emission tomography to image the distribution of radioactivity produced by the body penetrating radiation emitted by carbon-11, a map of functionally active monoamine oxidase activity is obtained. Clorgyline and L-deprenyl are suicide enzyme inhibitors and irreversibly inhibit monoamine oxidase. When these inhibitors are labeled with carbon-11 they provide selective probes for monoamine oxidase localization and reactivity in vivo using positron emission tomography.

  9. Positron emitter labeled enzyme inhibitors

    DOEpatents

    Fowler, J.S.; MacGregor, R.R.; Wolf, A.P.

    1987-05-22

    This invention involved a new strategy for imaging and mapping enzyme activity in the living human and animal body using positron emitter-labeled suicide enzyme inactivators or inhibitors which become covalently bound to the enzyme as a result of enzymatic catalysis. Two such suicide in activators for monoamine oxidase have been labeled with carbon-11 and used to map the enzyme subtypes in the living human and animal body using PET. By using positron emission tomography to image the distribution of radioactivity produced by the body penetrating radiation emitted by carbon-11, a map of functionally active monoamine oxidase activity is obtained. Clorgyline and L-deprenyl are suicide enzyme inhibitors and irreversibly inhibit monoamine oxidase. When these inhibitors are labeled with carbon-11 they provide selective probes for monoamine oxidase localization and reactivity in vivo using positron emission tomography. 2 figs.

  10. Positron emitter labeled enzyme inhibitors

    DOEpatents

    Fowler, Joanna S.; MacGregor, Robert R.; Wolf, Alfred P.; Langstrom, Bengt

    1990-01-01

    This invention involves a new strategy for imaging and mapping enzyme activity in the living human and animal body using positron emitter-labeled suicide enzyme inactivators or inhibitors which become covalently bound to the enzyme as a result of enzymatic catalysis. Two such suicide inactivators for monoamine oxidase have been labeled with carbon-11 and used to map the enzyme subtypes in the living human and animal body using PET. By using positron emission tomography to image the distribution of radioactivity produced by the body penetrating radiation emitted by carbon-11, a map of functionally active monoamine oxidase activity is obtained. Clorgyline and L-deprenyl are suicide enzyme inhibitors and irreversibly inhibit monoamine oxidase. When these inhibitors are labeled with carbon-11 they provide selective probes for monoamine oxidase localization and reactivity in vivo using positron emission tomography.

  11. E166: Polarized Positrons & Polarimetry

    SciTech Connect

    Schuler, K.Peter; /DESY

    2011-12-06

    A proof-of-principle experiment has been carried out in the Final Focus Test Beam (FFTB) at Stanford Linear Accelerator Center (SLAC) to demonstrate production of polarized positrons in a manner suitable for implementation at the International Linear Collider (ILC). A helical undulator of 2.54 mm period and 1 -m length produced circularly polarized photons with a first harmonic endpoint energy of 8 MeV when traversed by a 46.6 GeV electron beam. The polarized photons were converted to polarized positrons in a 0.2-radiation-length tungsten target. The polarization of these positrons was measured using a Compton transmission polarimeter to have peak value in excess of 80%.

  12. Positron annihilation in solar flares

    NASA Technical Reports Server (NTRS)

    Crannell, C. J.; Ramaty, R.; Werntz, C.

    1975-01-01

    The gamma ray line at 0.51 MeV originates from the annihilation of positrons. When a fraction of the positrons annihilate from bound states of positronium, the 0.51-MeV line is accompanied by a continuum of 3-gamma annihilation radiation at energies up to 0.51 MeV. Accurate calculations of the rates of free annihilation and positronium formation in a solar flare plasma are presented and positronium formation by charge exchange is discussed. The observability of the 3-gamma annihilation is increased by the inherent delay in the production and slowing down time of the positrons. It was concluded that such radiation could be detected at times late in solar gamma ray events when the continuum and prompt line emissions have essentially disappeared.

  13. The Abundance Scatter in M33 from H II Regions: Is There Any Evidence for Azimuthal Metallicity Variations?

    NASA Astrophysics Data System (ADS)

    Bresolin, Fabio

    2011-04-01

    Optical spectra of 25 H II regions in the inner 2 kpc of the M33 disk have been obtained with the Gemini Multi-Object Spectrograph at the Gemini North telescope. The oxygen abundance gradient measured from the detection of the [O III] λ4363 auroral line displays a scatter of approximately 0.06 dex, a much smaller value than recently reported by Rosolowsky & Simon in this galaxy. The analysis of the abundances for a large sample of H II regions derived from the R 23 strong-line indicator confirms that the scatter is small over the full disk of M33, consistent with the measuring uncertainties, and comparable to what is observed in other spiral galaxies. No evidence is therefore found for significant azimuthal variations in the present-day metallicity of the interstellar medium in this galaxy on spatial scales from ~100 pc to a few kpc. A considerable fraction of M33 H II regions with auroral line detections show spectral features revealing sources of hard ionizing radiation (such as He II emission and large [Ne III], [O III] line fluxes). Since R 23 is shown to severely underestimate the oxygen abundances in such cases, care must be taken in chemical abundance studies of extragalactic H II regions based on this strong-line indicator. Based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministério da Ciência e Tecnologia (Brazil) and Ministerio de Ciencia, Tecnología e Innovación Productiva (Argentina).

  14. Iron metal production in silicate melts through the direct reduction of Fe/II/ by Ti/III/, Cr/II/, and Eu/II/. [in lunar basalts

    NASA Technical Reports Server (NTRS)

    Schreiber, H. D.; Balazs, G. B.; Shaffer, A. P.; Jamison, P. L.

    1982-01-01

    The production of metallic iron in silicate melts by chemical reactions of Ti(3+), Cr(2+), and Eu(2+) with Fe(2+) is demonstrated under experimental conditions in a simplified basaltic liquid. These reactions form a basis for interpreting the role of isochemical valency exchange models in explanations for the reduced nature of lunar basalts. The redox couples are individually investigated in the silicate melt to ascertain reference redox ratios that are independent of mutual interactions. These studies also provide calibrations of spectral absorptions of the Fe(2+) and Ti(2+) species in these glasses. Subsequent spectrophotometric analyses of Fe(2+) and Ti(2+) in glasses doped with both iron and titanium and of Fe(2+) in glasses doped with either iron and chromium or iron and europium ascertain the degree of mutual interactions in these dual-doped glasses.

  15. Synthesis, spectroscopic characterization, electrochemistry and biological evaluation of some metal (II) complexes with ONO donor ligand containing benzo[b]thiophene and coumarin moieties

    NASA Astrophysics Data System (ADS)

    Mahendra Raj, K.; Mruthyunjayaswamy, B. H. M.

    2014-09-01

    Schiff base ligand 3-chloro-N‧-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methylene)benzo[b]thiophene-2-carbohydrazide and its Cu(II), Co(II), Ni(II) and Zn(II) complexes were synthesized, characterized by elemental analysis and various physico-chemical techniques like, IR, 1H NMR, ESI-mass, UV-Visible, thermogravimetry - differential thermal analysis, magnetic measurements and molar conductance. Spectral analysis indicates octahedral geometry for all the complexes. Cu(II) complex have 1:1 stoichiometry of the type [M(L)(Cl)(H2O)2], whereas Co(II), Ni(II) and Zn(II) complexes have 1:2 stoichiometric ratio of the type [M(L)2]. The bonding sites are the oxygen atom of amide carbonyl, nitrogen of azomethine function and phenolic oxygen of the Schiff base ligand via deprotonation. The thermogravimetry - differential thermal analysis studies gave evidence for the presence of coordinated water molecules in the composition of Cu(II) complex which was further supported by IR measurements. All the complexes were investigated for their electrochemical activity, but only the Cu(II) complex showed the redox property. In order to evaluate the effect of antimicrobial potency of metal ions upon chelation, ligand and its metal complexes along with their respective metal chlorides were screened for their antibacterial and antifungal activities by minimum inhibitory concentration (MIC) method. The results showed that the metal complexes were found to be more active than free ligand. Ligand and its complexes were screened for free radical scavenging activity by DPPH method and DNA cleavage activity using Calf-thymus DNA (Cat. No-105850).

  16. Deformation in metals after low temperature irradiation: Part II - Irradiation hardening, strain hardening, and stress ratios

    SciTech Connect

    Byun, Thak Sang; Li, Meimei

    2008-03-01

    Effects of irradiation at temperatures 200oC on tensile stress parameters are analyzed for dozens of bcc, fcc, and hcp pure metals and alloys, focusing on irradiation hardening, strain hardening, and relationships between the true stress parameters. Similar irradiation-hardening rates are observed for all the metals irrespective of crystal type; typically, the irradiation-hardening rates are large, in the range 100 - 1000 GPa/dpa, at the lowest dose of <0.0001 dpa and decrease with dose to a few tens of MPa/dpa or less at about 10 dpa. However, average irradiation-hardening rates over the dose range of 0 dpa − (the dose to plastic instability at yield) are considerably lower for stainless steels due to their high uniform ductility. It is shown that whereas low temperature irradiation increases the yield stress, it does not significantly change the strain-hardening rate of metallic materials; it decreases the fracture stress only when non-ductile failure occurs. Such dose independence in strain hardening behavior results in strong linear relationships between the true stress parameters. Average ratios of plastic instability stress to unirradiated yield stress are about 1.4, 3.9, and 1.3 for bcc metals (and precipitation hardened IN718 alloy), annealed fcc metals (and pure Zr), and Zr-4 alloy, respectively. Ratios of fracture stress to plastic instability stress are calculated to be 2.2, 1.7, and 2.1, respectively. Comparison of these values confirms that the annealed fcc metals and other soft metals have larger uniform ductility but smaller necking ductility when compared to other materials.

  17. The LAMOST Spectroscopic Survey of Star Clusters in M31. II. Metallicities, Ages, and Masses

    NASA Astrophysics Data System (ADS)

    Chen, Bingqiu; Liu, Xiaowei; Xiang, Maosheng; Yuan, Haibo; Huang, Yang; Shi, Jianrong; Fan, Zhou; Huo, Zhiying; Wang, Chun; Ren, Juanjuan; Tian, Zhijia; Zhang, Huawei; Liu, Gaochao; Cao, Zihuang; Zhang, Yong; Hou, Yonghui; Wang, Yuefei

    2016-08-01

    We select from Paper I a sample of 306 massive star clusters observed with the Large Sky Area Multi–Object Fibre Spectroscopic Telescope (LAMOST) in the vicinity fields of M31 and M33, and determine their metallicities, ages, and masses. Metallicities and ages are estimated by fitting the observed integrated spectra with stellar synthesis population (SSP) models with a pixel–to–pixel spectral fitting technique. Ages for most young clusters are also derived by fitting the multi–band photometric measurements with model spectral energy distributions (SEDs). The estimated cluster ages span a wide range, from several million years to the age of the universe. The numbers of clusters younger and older than 1 Gyr are, respectively, 46 and 260. With ages and metallicities determined, cluster masses are then estimated by comparing the multi–band photometric measurements with SSP model SEDs. The derived masses range from ˜ {10}3 to ˜ {10}7 M ⊙, peaking at ˜ {10}4.3 and ˜ {10}5.7 M ⊙ for young (\\lt 1 Gyr) and old (\\gt 1 Gyr) clusters, respectively. Our estimated metallicities, ages, and masses are in good agreement with available literature values. Old clusters richer than [Fe/H] ˜ ‑0.7 dex have a wide range of ages. Those poorer than [Fe/H] ˜ ‑0.7 dex seem to be composed of two groups, as previously found for Galactic globular clusters—one of the oldest ages with all values of metallicity down to ˜ -2 dex and another with metallicity increasing with decreasing age. The old clusters in the inner disk of M 31 (0–30 kpc) show a clear metallicity gradient measured at ‑0.038 ± 0.023 dex kpc‑1.

  18. The LAMOST Spectroscopic Survey of Star Clusters in M31. II. Metallicities, Ages, and Masses

    NASA Astrophysics Data System (ADS)

    Chen, Bingqiu; Liu, Xiaowei; Xiang, Maosheng; Yuan, Haibo; Huang, Yang; Shi, Jianrong; Fan, Zhou; Huo, Zhiying; Wang, Chun; Ren, Juanjuan; Tian, Zhijia; Zhang, Huawei; Liu, Gaochao; Cao, Zihuang; Zhang, Yong; Hou, Yonghui; Wang, Yuefei

    2016-08-01

    We select from Paper I a sample of 306 massive star clusters observed with the Large Sky Area Multi-Object Fibre Spectroscopic Telescope (LAMOST) in the vicinity fields of M31 and M33, and determine their metallicities, ages, and masses. Metallicities and ages are estimated by fitting the observed integrated spectra with stellar synthesis population (SSP) models with a pixel-to-pixel spectral fitting technique. Ages for most young clusters are also derived by fitting the multi-band photometric measurements with model spectral energy distributions (SEDs). The estimated cluster ages span a wide range, from several million years to the age of the universe. The numbers of clusters younger and older than 1 Gyr are, respectively, 46 and 260. With ages and metallicities determined, cluster masses are then estimated by comparing the multi-band photometric measurements with SSP model SEDs. The derived masses range from ˜ {10}3 to ˜ {10}7 M ⊙, peaking at ˜ {10}4.3 and ˜ {10}5.7 M ⊙ for young (\\lt 1 Gyr) and old (\\gt 1 Gyr) clusters, respectively. Our estimated metallicities, ages, and masses are in good agreement with available literature values. Old clusters richer than [Fe/H] ˜ -0.7 dex have a wide range of ages. Those poorer than [Fe/H] ˜ -0.7 dex seem to be composed of two groups, as previously found for Galactic globular clusters—one of the oldest ages with all values of metallicity down to ˜ -2 dex and another with metallicity increasing with decreasing age. The old clusters in the inner disk of M 31 (0-30 kpc) show a clear metallicity gradient measured at -0.038 ± 0.023 dex kpc-1.

  19. Stabilization of hexagonal close-packed metallic nickel for alumina-supported systems prepared from Ni(II) glycinate

    SciTech Connect

    Rodriguez-Gonzalez, Vicente; Marceau, Eric Beaunier, Patricia; Che, Michel; Train, Cyrille

    2007-01-15

    The decomposition in flowing argon of the neutral complex [Ni{sup II}(glycinate){sub 2}(H{sub 2}O){sub 2}] leads to a mixture of face-centered cubic (fcc) and hexagonal close-packed (hcp) metallic nickel. The latter is the main phase when the Ni(II) complex is supported on alumina. Unlike most hexagonal Ni phases described earlier, and similar to hexagonal Ni{sub 3}C, the unit cell parameters (a=0.2493 and c=0.4084nm) lead to Ni-Ni distances equal to those encountered in fcc Ni. TEM shows that the nanoparticles are protected by graphite layers, whose elimination by heating in hydrogen results in transformation to the fcc phase and crystal growth. Magnetic measurements provide evidence of the coexistence of superparamagnetic and ferromagnetic nanoparticles. This result is in line with the broad size distribution observed by TEM and is interpreted on the basis of the metallic character of hcp Ni particles.

  20. Synthesis, crystal structure and magnetic characterization of metal(II) coordination polymers based on 2-carboxyethylphosphonic acid and 1,10-phenanthroline (metal=Cu, Co, Cd)

    SciTech Connect

    Fernandez-Zapico, Eva; Montejo-Bernardo, Jose Manuel; D'Vries, Richard; Garcia, Jose R.; Garcia-Granda, Santiago; Rodriguez Fernandez, Jesus; Pedro, Imanol de; Blanco, Jesus A.

    2011-12-15

    Three non-isostructural metal(II) coordination polymers (metal=copper, cobalt, cadmium) were synthesized under the same mild hydrothermal conditions (T=408 K) by mixture of the corresponding metal acetate with 2-carboxyethylphosphonic acid and 1,10-phenanthroline (1:1:1 M ratio) and their structures were determined by single-crystal X-ray diffraction. Cu{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2}(H{sub 2}O){sub 2} and Cd{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2} are triclinic (space group P-1) with a=7.908(5) A, b=10.373(5) A, c=11.515(5) A, {alpha}=111.683(5) Degree-Sign , {beta}=95.801(5) Degree-Sign , {gamma}=110.212(5) Degree-Sign (T=120 K), and a=8.162(5) A, b=9.500(5) A, c=11.148(5) A, {alpha}=102.623(5) Degree-Sign , {beta}=98.607(5) Degree-Sign , {gamma}=113.004(5) Degree-Sign (T=293 K), respectively. In contrast, [Co{sub 2}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 2}({mu}-OH{sub 2})](H{sub 2}O) is orthorhombic (space group Pbcn) with a=21.1057(2) A, b=9.8231(1) A, c=15.4251(1) A (T=120 K). For these three compounds, structural features, including H-bond network and the {pi}-{pi} stacking interactions, and thermal stability are reported and discussed. None of the materials present a long-range magnetic order in the range of temperatures investigated from 300 K down to 1.8 K. - Graphical abstract: In same synthetic conditions, both the chemical and structural features of three transition metal(II) coordination polymers based on 2-carboxyethylphosphonate and 1-10 Prime -phenanthroline are influenced by the metal cation characteristics, leading to non-homologous materials with different properties, which show the high chemical versatility of this interesting system. Highlights: Black-Right-Pointing-Pointer Non-isostructural metal coordination polymers were synthesized under mild hydrothermal conditions. Black-Right-Pointing-Pointer Ligand's flexibility

  1. Particle physics. Positrons ride the wave

    DOE PAGES

    Piot, Philippe

    2015-08-26

    Here, experiments reveal that positrons — the antimatter equivalents of electrons — can be rapidly accelerated using a plasma wave. The findings pave the way to high-energy electron–positron particle colliders.

  2. VizieR Online Data Catalog: On the metallicity of open clusters. II. (Heiter+, 2014)

    NASA Astrophysics Data System (ADS)

    Heiter, U.; Soubiran, C.; Netopil, M.; Paunzen, E.

    2013-11-01

    In Table 1 we list the basic information for each star and each metallicity determination in the starting sample, which should be sufficient to extract the corresponding atmospheric parameters from the PASTEL catalogue. Table 4 lists the weighted mean metallicities for each OC and each paper, which were computed using the metallicities from the references in Table 1. For the weights we used the inverse square of the individual errors quoted by the authors. Table 4 also gives the ranges of effective temperature (Teff) and surface gravity (logg) of the stars corresponding to each paper. After removing all determinations with Teff outside the range 4400 to 6500K and with logg<2.0, we constructed a list of recommended cluster metallicities, which we call the final high-resolution sample. The weighted mean metallicities for each cluster in the final sample are given in Table 11, and the individual determinations included in the final sample are identified in Table 1 (first column). (3 data files).

  3. Infrared Multiple-Photon Dissociation spectroscopy of group II metal complexes with salicylate

    SciTech Connect

    Ryan P. Dain; Gary Gresham; Gary S. Groenewold; Jeffrey D. Steill; Jos Oomens; Michael J. van Stipdonk

    2011-07-01

    Ion-trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations were used to characterize singly-charged, 1:1 complexes of Ca2+, Sr2+ and Ba2+ with salicylate. For each metal-salicylate complex, the CID pathways are: (a) elimination of CO2 and (b) formation of [MOH]+ where M=Ca2+, Sr2+ or Ba2+. DFT calculations predict three minima for the cation-salicylate complexes which differ in the mode of metal binding. In the first, the metal ion is coordinated by O atoms of the (neutral) phenol and carboxylate groups of salicylate. In the second, the cation is coordinated by phenoxide and (neutral) carboxylic acid groups. The third mode involves coordination by the carboxylate group alone. The infrared spectrum for the metal-salicylate complexes contains a number of absorptions between 1000 – 1650 cm-1, and the best correlation between theoretical and experimental spectra for the structure that features coordination of the metal ion by phenoxide and the carbonyl group of the carboxylic acid group, consistent with calculated energies for the respective species.

  4. Coordination of two high-affinity hexamer peptides to copper(II) and palladium(II) models of the peptide-metal chelation site on IMAC resins

    SciTech Connect

    Chen, Y.; Pasquinelli, R.; Ataai, M.; Koepsel, R.R.; Kortes, R.A.; Shepherd, R.E.

    2000-03-20

    The coordination of peptides Ser-Pro-His-His-Gly-Gly (SPHHGG) and (His){sub 6} (HHHHHH) to [Pd{sup II}(mida)(D{sub 2}O)] (mida{sup 2{minus}} = N-methyliminodiacetate) was studied by {sup 1}H NMR as model reactions for Cu{sup II}(iminodiacetate)-immobilized metal affinity chromatography (IMAC) sites. This is the first direct physical description of peptide coordination for IMAC. A three-site coordination is observed which involves the first, third, and fourth residues along the peptide chain. The presence of proline in position 2 of SPHHGG achieves the best molecular mechanics and bonding angles in the coordinated peptide and enhances the interaction of the serine amino nitrogen. Histidine coordination of H{sub 1}, H{sub 3}, and H{sub 4} of (His){sub 6} and H{sub 3} and H{sub 4} of SPHHGG was detected by {sup 1}H NMR contact shifts and H/D exchange of histidyl protons. The EPR spectra of SPHHGG and HHHHHH attached to the [Cu{sup II}(mida)] unit were obtained for additional modeling of IMAC sites. EPR parameters of the parent [Cu(mida)(H{sub 2}O){sub 2}] complex are representative: g{sub zz} = 2.31; g{sub yy} = 2.086; g{sub xx} = 2.053; A{sub {vert_bar}{vert_bar}} = 161 G; A{sub N} = 19G (three line, one N coupling). Increased rhombic distortion is detected relative to the starting aqua complex in the order of [Cu(mida)L] for distortion of HHHHHH > SPHHGG > (H{sub 2}O){sub 2}. The lowering of symmetry is also seen in the decrease in the N-shf coupling, presumably to the imino nitrogen of mida{sup 2{minus}} in the order 19 G (H{sub 2}O), 16 G (SPHHGG) and 11 G (HHHHHH). Visible spectra of the [Cu(mida)(SPHHGG)] and [Cu(mida)(HHHHHH)] as a function of pH indicate coordination of one histidyl donor at ca. 4.5, two in the range of pH 5--7, and two chelate ring attachments involving the terminal amino donor for SPHHGG or another histidyl donor of HHHHHH in the pH domain of 7--8 in agreement with the [Pd{sup II}(mida)L] derivatives which form the two

  5. Influence of group II metals on Radium-226 concentration ratios in the native green plum (Buchanania obovata) from the Alligator Rivers Region, Northern Territory, Australia.

    PubMed

    Medley, Peter; Bollhöfer, Andreas

    2016-01-01

    In this study, uptake of Ra from soil, and the influence of group II metals on Ra uptake, into the stones and edible flesh of the fruit of the wild green plum, Buchanania obovata, was investigated. Selective extraction of the exchangeable fraction of the soil samples was undertaken but was not shown to more reliably predict Ra uptake than total soil Ra activity concentration. Comparison of the group II metal to Ca ratios (i.e. Sr/Ca, Ba/Ca, Ra/Ca) in the flesh with exchangeable Ca shows that Ca outcompetes group II metals for root uptake and that the uptake pathway discriminated against group II metals relative to ionic radius, with uptake of Ca > Sr > Ba > Ra. Flesh and stone analysis showed that movement of group II metals to these components of the plant, after root uptake, was strongly related. This supports the hypothesis that Sr, Ba and Ra are being taken up as analogue elements, and follow the same uptake and translocation pathways, with Ca. Comparison with previously reported data from a native passion fruit supports the use of total soil CRs on natural, undisturbed sites. As exchangeable CRs for Ra reach a saturation value it may be possible to make more precise predictions using selective extraction techniques for contaminated or disturbed sites.

  6. Influence of group II metals on Radium-226 concentration ratios in the native green plum (Buchanania obovata) from the Alligator Rivers Region, Northern Territory, Australia.

    PubMed

    Medley, Peter; Bollhöfer, Andreas

    2016-01-01

    In this study, uptake of Ra from soil, and the influence of group II metals on Ra uptake, into the stones and edible flesh of the fruit of the wild green plum, Buchanania obovata, was investigated. Selective extraction of the exchangeable fraction of the soil samples was undertaken but was not shown to more reliably predict Ra uptake than total soil Ra activity concentration. Comparison of the group II metal to Ca ratios (i.e. Sr/Ca, Ba/Ca, Ra/Ca) in the flesh with exchangeable Ca shows that Ca outcompetes group II metals for root uptake and that the uptake pathway discriminated against group II metals relative to ionic radius, with uptake of Ca > Sr > Ba > Ra. Flesh and stone analysis showed that movement of group II metals to these components of the plant, after root uptake, was strongly related. This supports the hypothesis that Sr, Ba and Ra are being taken up as analogue elements, and follow the same uptake and translocation pathways, with Ca. Comparison with previously reported data from a native passion fruit supports the use of total soil CRs on natural, undisturbed sites. As exchangeable CRs for Ra reach a saturation value it may be possible to make more precise predictions using selective extraction techniques for contaminated or disturbed sites. PMID:26277654

  7. Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment.

    PubMed

    Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

    2015-01-01

    This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical

  8. NUMERICAL SIMULATIONS OF SUPERNOVA DUST DESTRUCTION. II. METAL-ENRICHED EJECTA KNOTS

    SciTech Connect

    Silvia, Devin W.; Smith, Britton D.; Shull, J. Michael E-mail: michael.shull@colorado.edu

    2012-03-20

    Following our previous work, we investigate through hydrodynamic simulations the destruction of newly formed dust grains by sputtering in the reverse shocks of supernova remnants. Using an idealized setup of a planar shock impacting a dense, spherical clump, we implant a population of Lagrangian particles into the clump to represent a distribution of dust grains in size and composition. We vary the relative velocity between the reverse shock and ejecta clump to explore the effects of shock heating and cloud compression. Because supernova ejecta will be metal-enriched, we consider gas metallicities from Z/Z{sub Sun} = 1 to 100 and their influence on the cooling properties of the cloud and the thermal sputtering rates of embedded dust grains. We post-process the simulation output to calculate grain sputtering for a variety of species and size distributions. In the metallicity regime considered in this paper, the balance between increased radiative cooling and increased grain erosion depends on the impact velocity of the reverse shock. For slow shocks (v{sub shock} {<=} 3000 km s{sup -1}), the amount of dust destruction is comparable across metallicities or in some cases is decreased with increased metallicity. For higher shock velocities (v{sub shock} {>=} 5000 km s{sup -1}), an increase in metallicity from Z/Z{sub Sun} = 10 to 100 can lead to an additional 24% destruction of the initial dust mass. While the total dust destruction varies widely across grain species and simulation parameters, our most extreme cases result in complete destruction for some grain species and only 44% dust mass survival for the most robust species. These survival rates are important in understanding how early supernovae contribute to the observed dust masses in high-redshift galaxies.

  9. Dark Matter Halos in Galaxies and Globular Cluster Populations. II. Metallicity and Morphology

    NASA Astrophysics Data System (ADS)

    Harris, William E.; Harris, Gretchen L.; Hudson, Michael J.

    2015-06-01

    An increasing body of data reveals a one-to-one linear correlation between galaxy halo mass and the total mass in its globular cluster (GC) population, {{M}GCS}∼ Mh1.03+/- 0.03, valid over five orders of magnitude. In this paper we explore the nature of this correlation for galaxies of different morphological types and for the subpopulations of metal-poor (blue) and metal-rich (red) GCs. For the subpopulations of different metallicity, we find {{M}GCS}(blue)∼ Mh0.96+/- 0.03 and {{M}GCS}(red)∼ Mh1.21+/- 0.03 with similar scatter. The numerical values of these exponents can be derived from the detailed behavior of the red and blue GC fractions with galaxy mass and provide a self-consistent set of relations. In addition, all morphological types (E, S0, S/Irr) follow the same relation, but with a second-order trend for spiral galaxies to have a slightly higher fraction of metal-rich GCs for a given mass. These results suggest that the amount of gas available for GC formation at high redshift was in nearly direct proportion to the dark matter halo potential, in strong contrast to the markedly nonlinear behavior of total stellar mass versus halo mass. Of the few available theoretical treatments that directly discuss the formation of GCs in a hierarchical-merging framework, we find that the model of Kravtsov & Gnedin best matches these observations. They find that the blue, metal-poor GCs formed in small halos at z\\gt 3 and did so in nearly direct proportion to halo mass. Similar models addressing the formation rate of the red, more metal-rich GCs in the same detail and continuing to lower redshift are still needed for a comprehensive picture.

  10. Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment

    PubMed Central

    Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

    2015-01-01

    This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical

  11. Ecological Risk Assessment of a Metal-Contaminated Area in the Tropics. Tier II: Detailed Assessment.

    PubMed

    Niemeyer, Júlia Carina; Moreira-Santos, Matilde; Ribeiro, Rui; Rutgers, Michiel; Nogueira, Marco Antonio; da Silva, Eduardo Mendes; Sousa, José Paulo

    2015-01-01

    This study presents data on the detailed evaluation (tier 2) of a site-specific ecological risk assessment (ssERA) in a former smelter area contaminated with metals (Santo Amaro, Bahia, Brazil). Combining information from three lines of evidence (LoE), chemical (ChemLoE), ecotoxicological (EcotoxLoE) and ecological (EcoLoE), in the Triad approach, integrated risk values were calculated to rank sites and confirm the potential risk disclosed with tier 1. Risk values were calculated for the habitat and for the retention functions in each sampling point. Habitat function included the ChemLoE calculated from total metal concentrations. The EcotoxLoE was based on reproduction tests with terrestrial invertebrates (Folsomia candida, Enchytraeus crypticus, Eisenia andrei), shoot length and plant biomass (Avena sativa, Brassica rapa). For the EcoLoE, ecological parameters (microbial parameters, soil invertebrate community, litter breakdown) were used to derive risk values. Retention function included the ChemLoE, calculated from extractable metal concentrations, and the EcotoxLoE based on eluate tests with aquatic organisms (Daphnia magna reproduction and Pseudokirchneriella subcapitata growth). Results related to the habitat function indicated that the metal residues are sufficient to cause risk to biota, while the low metal levels in extracts and the general lack of toxicity in aquatic tests indicated a high soil retention capacity in most sampling points. Integrated risk of tier 2 showed the same trend of tier 1, suggesting the need to proceed with remediation actions. The high risk levels were related to direct toxicity to organisms and indirect effects, such as failure in the establishment of vegetation and the consequent loss of habitat quality for microorganisms and soil fauna. This study shed some light on the selection of tools for the tier 2 of an ssERA in tropical metal-contaminated sites, focusing on ecological receptors at risk and using available chemical

  12. Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(II) complexes.

    PubMed

    Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph

    2016-01-14

    Enantiopure bis[{(R or S)-N-1-(Ar)ethyl-2-oxo-1-naphthaldiminato-κ(2)N,O}]nickel(ii) complexes {Ar = C6H5 ( or ), p-OMeC6H4 ( or ), and p-BrC6H4 ( or )} are synthesized from the reactions between (R or S)-N-1-(Ar)ethyl-2-oxo-1-naphthaldimine and nickel(ii) acetate. Circular-dichroism spectra and their density-functional theoretical simulation reveal the expected mirror image relationship between the enantiomeric pairs / and / in solution. CD spectra are dominated by the metal-centered Λ- or Δ-chirality of non-planar four-coordinated nickel, this latter being in turn dictated by the ligand chirality. Single crystal structure determination for and shows that there are two symmetry-independent molecules (A and B) in each asymmetric unit that give a Z' = 2 structure. Two asymmetric and chiral bidentate N^O-chelate Schiff base ligands coordinate to the nickel atom in a distorted square planar N2O2-coordination sphere. The conformational difference between the symmetry-independent molecules arises from the "up-or-down" folding of the naphthaldiminato ligand with respect to the coordination plane, which creates right- (P) or left-handed (M) helical conformations. Overall, the combination of ligand chirality, chirality at the metal and ligand folding gives rise to discrete metal helicates of preferred helicity in a selective way. Cyclic voltammograms (CV) show an oxidation wave at ca. 1.30 V for the [Ni(L)2]/[Ni(L)2](+) couple, and a reduction wave at ca. -0.35 V for the [Ni(L)2]/[Ni(L)2](-) couple in acetonitrile. PMID:26619269

  13. Crystal growth, characterization and theoretical studies of alkaline earth metal-doped tetrakis(thiourea)nickel(II) chloride.

    PubMed

    Agilandeshwari, R; Muthu, K; Meenatchi, V; Meena, K; Rajasekar, M; Aditya Prasad, A; Meenakshisundaram, S P

    2015-02-25

    The influence of Sr(II)-doping on the properties of tetrakis(thiourea)nickel(II) chloride (TTNC) has been described. The reduction in the intensity observed in powder X-ray diffraction of doped specimen and slight shifts in vibrational frequencies of doped specimens confirm the lattice stress as a result of doping. Surface morphological changes due to doping of the Sr(II) are observed by scanning electron microscopy. The incorporation of metal into the host crystal lattice was confirmed by energy dispersive X-ray spectroscopy. Lattice parameters are determined by single crystal XRD analysis. The thermogravimetric and differential thermal analysis studies reveal the purity of the materials and no decomposition is observed up to the melting point. The nonlinear optical properties of the doped and undoped specimens were studied. Theoretical calculations were performed using the Density functional theory (DFT) method with B3LYP/LANL2DZ as the basis set. The molecular geometry and vibrational frequencies of TTNC in the ground state were calculated and the observed structural parameters of TTNC are compared with parameters obtained from single crystal X-ray studies. The atomic charge distributions are obtained by Mulliken charge population analysis. The first-order molecular hyperpolarizability, polarizability and dipole moment were derived. PMID:25233030

  14. Synthesis, structure and electrochemical behavior of a 3D crystalline copper(II) metal-organic framework

    NASA Astrophysics Data System (ADS)

    Bai, Hong-Ye; Fan, Wei-Qiang; Liu, Chun-Bo; Shi, Wei-Dong; Yan, Yong-Sheng

    2014-05-01

    Using an flexible amide-type tripodal ligand N,N‧,N″-tris(3-pyridyl)-1,3,5-benzenetricarboxamide (L) and 1,4-benzenedicarboxylic acid (H2bdc), a three-dimensional copper(II) metal-organic framework (MOF) formulated as [Cu(bdc)(L)]n has been hydrothermally synthesized and structurally characterized by IR, elemental, X-ray single-crystal diffraction and thermal analysis. The complex crystallizes in the triclinic, space group P - 1, a = 8.891(2) Å, b = 11.760(2) Å, c = 15.348(3) Å, α = 96.73(3)°, β = 105.96(3)°, γ = 106.47(3)°, V = 1446.2(5) Å3, Mr = 666.10, Dc = 1.530 g/cm3, Z = 2, F(000) = 682, GOOF = 1.0560, μ(MoKα) = 0.817 mm-1, R = 0.0366 and wR = 0.0885. The structural analyses reveal that the title compound consists of one Cu(II) atom, two halves of bdc, and one L ligand. Each Cu(II) atom is linked by two bdc ligands and three L ligands to form a three-dimensional network. In addition, the electrochemical behavior of title compound has been studied. CCDC No. 990526.

  15. Subcellular compartmentalization of Cd and Zn in two bivalves. II. Significance of trophically available metal (TAM)

    USGS Publications Warehouse

    Wallace, W.G.; Luoma, S.N.

    2003-01-01

    This paper examines how the subcellular partitioning of Cd and Zn in the bivalves Macoma balthica and Potamocorbula amurensis may affect the trophic transfer of metal to predators. Results show that the partitioning of metals to organelles, 'enzymes' and metallothioneins (MT) comprise a subcellular compartment containing trophically available metal (TAM; i.e. metal trophically available to predators), and that because this partitioning varies with species, animal size and metal, TAM is similarly influenced. Clams from San Francisco Bay, California, were exposed for 14 d to 3.5 ??g 1-1 Cd and 20.5 ??g 1-1 Zn, including 109Cd and 65Zn as radiotracers, and were used in feeding experiments with grass shrimp Palaemon macrodatylus, or used to investigate the subcellular partitioning of metal. Grass shrimp fed Cd-contaminated P. amurensis absorbed ???60% of ingested Cd, which was in accordance with the partitioning of Cd to the bivalve's TAM compartment (i.e. Cd associated with organelles, 'enzymes' and MT); a similar relationship was found in previous studies with grass shrimp fed Cd-contaminated oligochaetes. Thus, TAM may be used as a tool to predict the trophic transfer of at least Cd. Subcellular fractionation revealed that ???34% of both the Cd and Zn accumulated by M. balthica was associated with TAM, while partitioning to TAM in P. amurensis was metal-dependent (???60% for TAM-Cd%, ???73% for TAM-Zn%). The greater TAM-Cd% of P. amurensis than M. balthica is due to preferential binding of Cd to MT and 'enzymes', while enhanced TAM-Zn% of P. amurensis results from a greater binding of Zn to organelles. TAM for most species-metal combinations was size-dependent, decreasing with increased clam size. Based on field data, it is estimated that of the 2 bivalves, P. amurensis poses the greater threat of Cd exposure to predators because of higher tissue concentrations and greater partitioning as TAM; exposure of Zn to predators would be similar between these species.

  16. Studies on stannic selenoarsenate. II. Separation of uranium from numerous metal ions

    SciTech Connect

    Nabi, S.A.; Siddiqi, Z.M.; Rao, R.A.K.

    1982-12-01

    Stannic selenoarsenate has been synthesized by adding 0.05 M sodium selenite and 0.05 M sodium arsenate to a 0.05 M solution of stannic chloride in a volume ratio of 1:1:1 at pH 1. A tentative structure has been proposed on the basis of chemical composition, pH titrations, and infrared and thermogravimetric analyses. Distribution coefficients of several metal ions have been studied in hydrochloric acid, citric acid, ammonium citrate-citric acid, and water-dioxane systems. The unusual adsorption behavior or uranium has been utilized for its quantitative separation from several metal ions.

  17. Minutes of the 28th Annual Plutonium Sample Exchange Meeting. Part II: metal sample exchange

    SciTech Connect

    Not Available

    1984-01-01

    Contents of this publication include the following list of participating laboratories; agenda; attendees; minutes of October 25 and 26 meeting; and handout materials supplied by speakers. The handout materials cover the following: statistics and reporting; plutonium - chemical assay 100% minus impurities; americium neptunium, uranium, carbon and iron data; emission spectroscopy data; plutonium metal sample exchange; the calorimetry sample exchange; chlorine determination in plutonium metal using phyrohydrolysis; spectrophotometric determination of 238-plutonium in oxide; plutonium measurement capabilities at the Savannah River Plant; and robotics in radiochemical laboratory.

  18. Non-redox metal ions can promote Wacker-type oxidations even better than copper(II): a new opportunity in catalyst design.

    PubMed

    Qin, Shuhao; Dong, Lei; Chen, Zhuqi; Zhang, Sicheng; Yin, Guochuan

    2015-10-28

    In Wacker oxidation and inspired Pd(ii)/Cu(ii)-catalyzed C-H activations, copper(ii) is believed to serve in re-oxidizing of Pd(0) in the catalytic cycle. Herein we report that non-redox metal ions like Sc(iii) can promote Wacker-type oxidations even better than Cu(ii); both Sc(iii) and Cu(ii) can greatly promote Pd(ii)-catalyzed olefin isomerization in which the redox properties of Cu(ii) are not essential, indicating that the Lewis acid properties of Cu(ii) can play a significant role in Pd(ii)-catalyzed C-H activations in addition to its redox properties. Characterization of catalysts using UV-Vis and NMR indicated that adding Sc(OTf)3 to the acetonitrile solution of Pd(OAc)2 generates a new Pd(ii)/Sc(iii) bimetallic complex having a diacetate bridge which serves as the key active species for Wacker-type oxidation and olefin isomerization. Linkage of trivalent Sc(iii) to the Pd(ii) species makes it more electron-deficient, thus facilitating the coordination of olefin to the Pd(ii) cation. Due to the improved electron transfer from olefin to the Pd(ii) cation, it benefits the nucleophilic attack of water on the olefinic double bond, leading to efficient olefin oxidation. The presence of excess Sc(iii) prevents the palladium(0) black formation, which has been rationalized by the formation of the Sc(iii)H-Pd(ii) intermediate. This intermediate inhibits the reductive elimination of the H-Pd(ii) bond, and facilitates the oxygen insertion to form the HOO-Pd(ii) intermediate, and thus avoids the formation of the inactive palladium(0) black. The Lewis acid promoted Wacker-type oxidation and olefin isomerization demonstrated here may open up a new opportunity in catalyst design for versatile C-H activations. PMID:26390300

  19. Metal-containing ligands for mixed-metal polymers: novel Cu(II)-Ag(I) mixed-metal coordination polymers generated from [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O and silver(I) salts.

    PubMed

    Dong, Y B; Smith, M D; zur Loye, H C

    2000-05-01

    One Cu(II)-containing ligand and two Cu(II)-Ag(I) mixed-metal coordination polymers have been synthesized. [Cu(2-methylpyrazine-5-carboxylate)2(H2O)].3H2O (1) was obtained as a molecular complex with two uncoordinated nitrogen donors by the reaction of 2-methylpyrazine-5-carboxylate sodium with CuCl(2).2H2O in water. Compound 1 crystallized in the triclinic space group P1, with a = 10.498(2) A, b = 11.000(2) A, c = 8.1424(16) A, alpha = 98.33(3) degrees, beta = 101.83(3) degrees, gamma = 66.68(3) degrees, and Z = 2. Reactions of 1 with silver(I) salts have been studied. Two Cu(II)-Ag(I) mixed-metal coordination polymers, namely, Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](BF4) (2) and Ag[Cu(2-methylpyrazine-5-carboxylate)2.(H2O)2](NO3) (3), have been generated by treating 1 with AgBF4 and AgNO3, respectively. Compound 2 crystallized in the monoclinic space group C2/c, with a = 25.827(5) A, b = 9.6430(19) A, c = 7.4525(15) A, beta = 94.74(3) degrees, and Z = 4. Compound 3 also crystallized in the monoclinic space group C2/c, with a = 25.855(5) A, b = 9.782(2) A, c = 7.1201(14) A, beta = 96.90(3) degrees, and Z = 4. The main structural feature in both 2 and 3 is a zigzag Cu(II)-Ag(I) mixed-metal chain, in which the alternating Cu(II) and Ag(I) centers are linked by 2-methylpyrazine-5-carboxylate spacers. The effect of the nitrate counterion was illustrated by compound 3, in which a novel [Ag+...NO3-] coordination chain has been found which acts as the connector to cross-link the one-dimensional zigzag chains into a three-dimensional network. In addition, an identical interchain O-H...O hydrogen bonding system has been found in both 2 and 3 and has been shown to play a significant role in directing the alignment of the one-dimensional mixed-metal polymer chains in the crystalline state. The magnetic susceptibilities of 2 and 3 were measured and found to follow the Curie law (mu eff = 1.85 for 2 and 1.83 for 3). PMID:11428114

  20. The effects of central metals on the photophysical and nonlinear optical properties of reduced graphene oxide-metal(II) phthalocyanine hybrids.

    PubMed

    Song, Weina; He, Chunying; Dong, Yongli; Zhang, Wang; Gao, Yachen; Wu, Yiqun; Chen, Zhimin

    2015-03-21

    Reduced graphene oxide-metal(II) phthalocyanine (RGO-MPc, M = Cu, Zn and Pb) hybrid materials have been prepared by the covalent functionalization method. The resultant RGO-MPc hybrids are characterized by scanning electron microscopy, atomic force microscopy, X-ray photoelectron spectroscopy, Fourier transform infrared, ultraviolet-visible absorption and fluorescence spectroscopy. The RGO-MPc hybrids exhibit strong fluorescence quenching by means of the photo-induced electron transfer or the energy transfer (PET/ET) process between the RGO and MPc moieties. The PET/ET process particularly depends on the fluorescence quantum yield of MPc molecules with different central metals. The nonlinear optical (NLO) properties of the RGO-MPc hybrids are investigated by using the Z-scan technique at 532 nm with 4 ns laser pulses. The results show that the NLO properties of MPc molecules increase in the order of Zn < Pb < Cu, but the RGO-MPc hybrids exhibit NLO performance in the inverse sequence of Zn > Pb > Cu, implying that the NLO response arising from the efficient PET/ET process between RGO and MPc may play a more important role in the NLO properties of RGO-MPc hybrids than that originating from the MPc moiety.

  1. Synthesis and antimicrobial activity of polysaccharide alginate derived cationic surfactant-metal(II) complexes.

    PubMed

    Tawfik, Salah M; Hefni, Hassan H

    2016-01-01

    New natural polysaccharide carbohydrate derivatives of sodium alginate surfactant and its cobalt, copper and zinc complexes were synthesized. Structures of the synthesized compounds are reported using FTIR, (1)H NMR and UV-vis. The critical micelle concentration (CMC) value of the alginate surfactant and its metal complexes in aqueous solution was found out from surface tension measurements. Surface tension data at different temperatures served for the evaluation of the temperature-dependent CMC and the thermodynamics of micellization (ΔGmic, ΔHmic, ΔSmic) and adsorption (ΔGads, ΔGads, ΔSads). The surface activities of the synthesized polymeric surfactant and its metal complexes were influenced by their chemical structures and the type of the transition metals. These compounds were evaluated against Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus), Gram-negative bacteria (Escherichia coli and Pseudomonas aeruginosa) and fungi (Candida albicans and Asperigllus niger). The antibacterial and antifungal screening tests of the alginate surfactant metal complexes have shown good results compared to its precursor alginate surfactant.

  2. Investigation of simultaneous biosorption of copper(II) and chromium(VI) on dried Chlorella vulgaris from binary metal mixtures: Application of multicomponent adsorption isotherms

    SciTech Connect

    Aksu, Z.; Acikel, U.; Kutsal, T.

    1999-02-01

    Although the biosorption of single metal ions to various kinds of microorganisms has been extensively studied and the adsorption isotherms have been developed for only the single metal ion situation, very little attention has been given to the bioremoval and expression of adsorption isotherms of multimetal ions systems. In this study the simultaneous biosorption of copper(II) and chromium(VI) to Chlorella vulgaris from a binary metal mixture was studied and compared with the single metal ion situation in a batch stirred system. The effects of pH and single- and dual-metal ion concentrations on the equilibrium uptakes were investigated. In previous studies the optimum biosorption pH had been determined as 4.0 for copper(II) and as 2.0 for chromium(VI). Multimetal ion biosorption studies were performed at these two pH values. It was observed that the equilibrium uptakes of copper(II) or chromium(VI) ions were changed due to the biosorption pH and the presence of other metal ions. Adsorption isotherms were developed for both single- and dual-metal ions systems at these two pH values, and expressed by the mono- and multicomponent Langmuir and Freundlich adsorption models. Model parameters were estimated by nonlinear regression. It was seen that the adsorption equilibrium data fitted very well to the competitive Freundlich model in the concentration ranges studied.

  3. Detection of metal residues on bone using SEM-EDS--part II: Sharp force injury.

    PubMed

    Gibelli, D; Mazzarelli, D; Porta, D; Rizzi, A; Cattaneo, C

    2012-11-30

    Scanning electron microscopy coupled with X-ray energy dispersive spectrometry (SEM-EDS) is extensively seen in the literature for the improvement of the macroscopic analysis of sharp lesions, but very few indications concerning its real potential in the forensic context, particularly in forensic anthropology, are at the moment available. This paper represents a pilot study for the analysis of the behaviour of metallic residues found on bone after sharp force injury. Fourteen lesions were made on human bone (radius), cleaned of all soft tissues, with seven different sharp tools (three metal instruments, three metal saws and a baked-clay knife). Tools and lesions underwent SEM-EDS. From 3 to 18 particles were detected on each lesion, whose diameter was included between 0.5 and 150 μm. In 58% of cases, particle composition was concordant with the instrument used. The results seem to suggest that sharp force injury frequently leaves relatively few residues on bone, particularly in the case of common types of metal. Saws showed slightly more contamination with other residues than knives, which may be explained by the capability of the saw's teeth to retain the residues of previously encountered material. In addition, metal residues related to the tool used to cut the bone were located on the edges/walls of lesions in the case of saw marks, whereas they were more frequently found on the kerf floor in the case of knives/scissors, with the exception of the baked clay knife which when it leaves residues at all, seemed to leave them equally divided between the floor, the edges and the surrounding bone.

  4. Synthesis and photodynamic activity of unsymmetrical A3B tetraarylporphyrins functionalized with l-glutamate and their Zn(II) and Cu(II) metal complex derivatives.

    PubMed

    Arredondo-Espinoza, Eder U; López-Cortina, Susana T; Ramírez-Cabrera, Mónica A; Balderas-Rentería, Isaías

    2016-08-01

    Four novel unsymmetrical A3B porphyrins 1, 2, 3 and 4 were synthesized following Lindsey procedure. Porphyrins 3 and 4 include one and three l-glutamate groups, respectively, and all porphyrins were metallated with Zn(II) (1a-4a) or Cu(II) (1b-4b). Porphyrins and metalloporphyrins presented values of singlet oxygen quantum yields (ΦD) ranging from 0.21 to 0.67. The tetraaryl derivatives in this study showed phototoxicity in SiHa cells with IC50 values ranging from <0.01 to 6.56±0.11μM, the metalloporphyrin 4a showed the lowest IC50 value. Comparing the phototoxic activity between all porphyrins, functionalization of porphyrins with glutamate increased 100 times phototoxic activity (1 (IC50 4.81±0.34μM) vs. 3 (IC50 0.04±0.02μM) and 2 (IC50 5.19±0.42μM) vs. 4 (IC50 0.05±0.01μM)). This increased activity could be attributed to reduced hydrophobicity and increased ΦΔ, given by functionalization with l-glutamate. Metalloporphyrins 3a (IC50 0.04±0.01μM) and 4a (IC50<0.01μM) presented the best values ​​of phototoxic activity. Therefore, functionalization and zinc metalation increased the phototoxic activity. SiHa cells treated with porphyrins 3, 4, 3a and 4a at a final concentration of 10μM, showed increased activity of caspase-3 enzyme compared to the negative control; indicating the induction of apoptosis. Differential gene expression pattern in SiHa cells was determined; treatments with metalloporphyrins 4a and 4b were performed, respectively, comparing the expression with untreated control. Treatments in both cases showed similar gene expression pattern in upregulated genes, since they share about 25 biological pathways and a large number of genes. According to the new photophysical properties related to the structural improvement and phototoxic activity, these molecules may have the potential application as photosensitizers in the photodynamic therapy.

  5. Spectral, mechanical, thermal, optical and solid state parameters, of metal-organic bis(hydrogenmaleate)-CO(II) tetrahydrate crystal

    SciTech Connect

    Chandran, Senthilkumar; Jagan, R.; Paulraj, Rajesh; Ramasamy, P.

    2015-10-15

    Metal-organic bis(hydrogenmaleate)-Co(II) tetrahydrate single crystals have been grown by slow evaporation solution growth technique at room temperature. The crystal structure and the unit cell parameters were analyzed from the X-ray diffraction studies. Single-crystal X-ray diffraction analyses reveal that the grown crystal belongs to triclinic system with the space group P-1. Functional groups in bis(hydrogenmaleate)-Co(II) tetrahydrate were identified by Fourier transform infrared spectral analysis. The peak observed at 663 cm{sup −1} is assigned to the (Co–O) stretching vibrations. The optical transmission of the crystal was studied by UV–vis–NIR spectral analysis. The photoluminescence emission studies were carried out for the title compound in a wide wavelength range between 350 nm and 550 nm at 303 K. Mechanical strength was tested by Vickers microhardness test. The laser damage threshold value has been determined using Nd:YAG laser operating at 1064 nm. At various frequencies and temperatures the dielectric behavior of the material was investigated. Solid state parameters such as plasma energy, Penn gap, Fermi energy and electronic polarizability were evaluated. Photoconductivity measurements were carried out for the grown crystal in the presence of DC electric field at room temperature. Thermal stability and decomposition of the crystal were studied by TG–DTA. The weight loss of the title compound occurs in different steps. - Graphical abstract: Molecular structure of the bis(hydrogenmaleate)-Co(II) tetrahydrate drawn at 40% ellipsoid probability level. - Highlights: • Bis(hydrogenmaleate)-Co(II) tetrahydrate single crystal is grown by slow evaporation method. • Structural and optical properties were discussed. • The title complex crystal is thermally stable up to 91 °C. • Plasma energy, Fermi energy and electronic polarizability are evaluated. • It exhibits positive photoconductivity.

  6. Positron-acoustic shock waves associated with cold viscous positron fluid in superthermal electron-positron-ion plasmas

    SciTech Connect

    Uddin, M. J. Alam, M. S.; Mamun, A. A.

    2015-06-15

    A theoretical investigation is made on the positron-acoustic (PA) shock waves (SHWs) in an unmagnetized electron-positron-ion plasma containing immobile positive ions, cold mobile positrons, and hot positrons and electrons following the kappa (κ) distribution. The cold positron kinematic viscosity is taken into account, and the reductive perturbation method is used to derive the Burgers equation. It is found that the viscous force acting on cold mobile positron fluid is a source of dissipation and is responsible for the formation of the PA SHWs. It is also observed that the fundamental properties of the PA SHWs are significantly modified by the effects of different parameters associated with superthermal (κ distributed) hot positrons and electrons.

  7. Positron-acoustic shock waves associated with cold viscous positron fluid in superthermal electron-positron-ion plasmas

    NASA Astrophysics Data System (ADS)

    Uddin, M. J.; Alam, M. S.; Mamun, A. A.

    2015-06-01

    A theoretical investigation is made on the positron-acoustic (PA) shock waves (SHWs) in an unmagnetized electron-positron-ion plasma containing immobile positive ions, cold mobile positrons, and hot positrons and electrons following the kappa (κ) distribution. The cold positron kinematic viscosity is taken into account, and the reductive perturbation method is used to derive the Burgers equation. It is found that the viscous force acting on cold mobile positron fluid is a source of dissipation and is responsible for the formation of the PA SHWs. It is also observed that the fundamental properties of the PA SHWs are significantly modified by the effects of different parameters associated with superthermal (κ distributed) hot positrons and electrons.

  8. High-Resolution Spectroscopy of Extremely Metal-Poor Stars from SDSS/SEGUE. II. Binary Fraction

    NASA Astrophysics Data System (ADS)

    Aoki, Wako; Suda, Takuma; Beers, Timothy C.; Honda, Satoshi

    2015-02-01

    The fraction of binary systems in various stellar populations of the Galaxy and the distribution of their orbital parameters are important but not well-determined factors in studies of star formation, stellar evolution, and Galactic chemical evolution. While observational studies have been carried out for a large sample of nearby stars, including some metal-poor Population II stars, almost no constraints on the binary nature for extremely metal-poor (EMP; [Fe/H] \\lt -3.0) stars have yet been obtained. Here we investigate the fraction of double-lined spectroscopic binaries and carbon-enhanced metal-poor (CEMP) stars, many of which could have formed as pairs of low-mass and intermediate-mass stars, to estimate the lower limit of the fraction of binary systems having short periods. The estimate is based on a sample of very metal-poor stars selected from the Sloan Digital Sky Survey and observed at high spectral resolution in a previous study by Aoki et al. That survey reported 3 double-lined spectroscopic binaries and 11 CEMP stars, which we consider along with a sample of EMP stars from the literature compiled in the SAGA database. We have conducted measurements of the velocity components for stacked absorption features of different spectral lines for each double-lined spectroscopic binary. Our estimate indicates that the fraction of binary stars having orbital periods shorter than 1000 days is at least 10%, and possibly as high as 20% if the majority of CEMP stars are formed in such short-period binaries. This result suggests that the period distribution of EMP binary systems is biased toward short periods, unless the binary fraction of low-mass EMP stars is significantly higher than that of other nearby stars.

  9. High-resolution spectroscopy of extremely metal-poor stars from SDSS/Segue. II. Binary fraction

    SciTech Connect

    Aoki, Wako; Suda, Takuma; Beers, Timothy C.; Honda, Satoshi E-mail: takuma.suda@nao.ac.jp E-mail: honda@nhao.jp

    2015-02-01

    The fraction of binary systems in various stellar populations of the Galaxy and the distribution of their orbital parameters are important but not well-determined factors in studies of star formation, stellar evolution, and Galactic chemical evolution. While observational studies have been carried out for a large sample of nearby stars, including some metal-poor Population II stars, almost no constraints on the binary nature for extremely metal-poor (EMP; [Fe/H] <−3.0) stars have yet been obtained. Here we investigate the fraction of double-lined spectroscopic binaries and carbon-enhanced metal-poor (CEMP) stars, many of which could have formed as pairs of low-mass and intermediate-mass stars, to estimate the lower limit of the fraction of binary systems having short periods. The estimate is based on a sample of very metal-poor stars selected from the Sloan Digital Sky Survey and observed at high spectral resolution in a previous study by Aoki et al. That survey reported 3 double-lined spectroscopic binaries and 11 CEMP stars, which we consider along with a sample of EMP stars from the literature compiled in the SAGA database. We have conducted measurements of the velocity components for stacked absorption features of different spectral lines for each double-lined spectroscopic binary. Our estimate indicates that the fraction of binary stars having orbital periods shorter than 1000 days is at least 10%, and possibly as high as 20% if the majority of CEMP stars are formed in such short-period binaries. This result suggests that the period distribution of EMP binary systems is biased toward short periods, unless the binary fraction of low-mass EMP stars is significantly higher than that of other nearby stars.

  10. Analysis of metal-matrix composite structures. I - Micromechanics constitutive theory. II - Laminate analyses

    NASA Technical Reports Server (NTRS)

    Arenburg, R. T.; Reddy, J. N.

    1991-01-01

    The micromechanical constitutive theory is used to examine the nonlinear behavior of continuous-fiber-reinforced metal-matrix composite structures. Effective lamina constitutive relations based on the Abouli micromechanics theory are presented. The inelastic matrix behavior is modeled by the unified viscoplasticity theory of Bodner and Partom. The laminate constitutive relations are incorporated into a first-order deformation plate theory. The resulting boundary value problem is solved by utilizing the finite element method. Attention is also given to computational aspects of the numerical solution, including the temporal integration of the inelastic strains and the spatial integration of bending moments. Numerical results the nonlinear response of metal matrix composites subjected to extensional and bending loads are presented.

  11. Metallic nanoparticles and their medicinal potential. Part II: aluminosilicates, nanobiomagnets, quantum dots and cochleates.

    PubMed

    Loomba, Leena; Scarabelli, Tiziano

    2013-09-01

    Metallic miniaturization techniques have taken metals to nanoscale size where they can display fascinating properties and their potential applications in medicine. In recent years, metal nanoparticles such as aluminium, silicon, iron, cadmium, selenium, indium and calcium, which find their presence in aluminosilicates, nanobiomagnets, quantum dots (Q-dots) and cochleates, have caught attention of medical industries. The increasing impact of metallic nanoparticles in life sciences has significantly advanced the production techniques for these nanoparticles. In this Review, the various methods for the synthesis of nanoparticles are outlined, followed by their physicochemical properties, some recent applications in wound healing, diagnostic imaging, biosensing, assay labeling, antimicrobial activity, cancer therapy and drug delivery are listed, and finally their toxicological impacts are revised. The first half of this article describes the medicinal uses of two noble nanoparticles - gold and silver. This Review provides further information on the ability of aluminum, silicon, iron, selenium, indium, calcium and zinc to be used as nanoparticles in biomedical sciences. Aluminosilicates find their utility in wound healing and antibacterial growth. Iron-oxide nanoparticles enhance the properties of MRI contrast agents and are also used as biomagnets. Cadmium, selenium, tellurium and indium form the core nanostructures of tiny Q-dots used in cellular assay labeling, high-resolution cell imaging and biosensing. Cochleates have the bivalent nano ions calcium, magnesium or zinc imbedded in their structures and are considered to be highly effective agents for drug and gene delivery. The aluminosilicates, nanobiomagnets, Q-dots and cochleates are discussed in the light of their properties, synthesis and utility.

  12. Palladium(II)-catalyzed direct alkoxylation of arenes: evidence for solvent-assisted concerted metalation deprotonation.

    PubMed

    Anand, Megha; Sunoj, Raghavan B

    2011-09-16

    Density functional theory investigations on the mechanism of palladium acetate catalyzed direct alkoxylation of N-methoxybenzamide in methanol reveal that the key steps involve solvent-assisted N-H as well as C-H bond activations. The transition state for the critical palladium-carbon bond formation through a concerted metalation deprotonation (CMD) process leading to a palladacycle intermediate has been found to be more stable in the methanol-assisted pathway as compared to an unassisted route.

  13. Pollutants in harp seals (Phoca groenlandica). II. Heavy metals and selenium.

    PubMed

    Ronald, K; Frank, R J; Dougan, J; Frank, R; Braun, H E

    1984-09-01

    Between 1976 and 1978, 249 harp seals were sampled from five locations in the Northwest Atlantic and Arctic for heavy metal and selenium residue analyses in tissue. Significant loading was apparent only in blood, brain, kidney, liver and muscle. Samples were analysed for mercury (Hg), selenium (Se), copper (Cu), cadmium (Cd) and lead (Pb). The seals carried higher levels of Cd than of the other metals. Residue levels of Cd were highest in kidney tissue; levels of other metals were highest in liver. Both males and females bioaccumulated Cd, Hg and Se. Cd, Hg, Se and Cu residues were detected in tissue from neonatal seals, indicating that transplacental and transmammary transfer of these elements had occurred. Despite the passage of residues from mother to pup, females bore significantly higher levels of Hg and Cd than males. Conversely, levels of Cu, Se or Pb did not appear to differ significantly between sexes. There was considerable individual variation in residue levels. This, coupled with the extensive annual migration undergone by these animals, made it difficult to arrive at definite conclusions regarding geographic accumulation patterns. PMID:6523119

  14. Engineering Short Preorganized Peptide Sequences for Metal Ion Coordination: Copper(II) a Case Study.

    PubMed

    Lima, L M P; Iranzo, O

    2016-01-01

    Peptides are multidentate chiral ligands capable of coordinating different metal ions. Nowadays, they can be obtained with high yield and purity, thanks to the advances on peptide/protein chemistry as well as in equipment (peptide synthesizers). Based on the identity and length of their amino acid sequences, peptides can present different degrees of flexibility and folding. Although short peptide sequences (<20 amino acids) usually lack structure in solution, different levels of structural preorganization can be induced by introducing conformational constraints, such as β-turn/loop template sequences and backbone cyclization. For all these reasons, and the fact that one is not restricted to use proteinogenic amino acids, small peptidic scaffolds constitute a simple and versatile platform for the development of inorganic systems with tailor-made properties and functions. Here we outline a general approach to the design of short preorganized peptide sequences (10-16 amino acids) for metal ion coordination. Based on our experience, we present a general scheme for the design, synthesis, and characterization of these peptidic scaffolds and provide protocols for the study of their metal ion coordination properties. PMID:27586340

  15. Toxic metals and antioxidants: Part II. The role of antioxidants in arsenic and cadmium toxicity.

    PubMed

    Patrick, Lyn

    2003-05-01

    Exposure to toxic metals has become an increasingly recognized source of illness worldwide. Both cadmium and arsenic are ubiquitous in the environment, and exposure through food and water as well as occupational sources can contribute to a well-defined spectrum of disease. The symptom picture of arsenic toxicity is characterized by dermal lesions, anemia, and an increased risk for cardiovascular disease, diabetes, and liver damage. Cadmium has a significant effect on renal function, and as a result alters bone metabolism, leading to osteoporosis and osteomalacia. Cadmium-induced genotoxicity also increases risk for several cancers. The mechanisms of arsenic- and cadmium-induced damage include the production of free radicals that alter mitochondrial activity and genetic information. The metabolism and excretion of these heavy metals depend on the presence of antioxidants and thiols that aid arsenic methylation and both arsenic and cadmium metallothionein-binding. S-adenosylmethionine, lipoic acid, glutathione, selenium, zinc, N-acetylcysteine (NAC), methionine, cysteine, alpha-tocopherol, and ascorbic acid have specific roles in the mitigation of heavy metal toxicity. Several antioxidants including NAC, zinc, methionine, and cysteine, when used in conjunction with standard chelating agents, can improve the mobilization and excretion of arsenic and cadmium.

  16. Pollutants in harp seals (Phoca groenlandica). II. Heavy metals and selenium.

    PubMed

    Ronald, K; Frank, R J; Dougan, J; Frank, R; Braun, H E

    1984-09-01

    Between 1976 and 1978, 249 harp seals were sampled from five locations in the Northwest Atlantic and Arctic for heavy metal and selenium residue analyses in tissue. Significant loading was apparent only in blood, brain, kidney, liver and muscle. Samples were analysed for mercury (Hg), selenium (Se), copper (Cu), cadmium (Cd) and lead (Pb). The seals carried higher levels of Cd than of the other metals. Residue levels of Cd were highest in kidney tissue; levels of other metals were highest in liver. Both males and females bioaccumulated Cd, Hg and Se. Cd, Hg, Se and Cu residues were detected in tissue from neonatal seals, indicating that transplacental and transmammary transfer of these elements had occurred. Despite the passage of residues from mother to pup, females bore significantly higher levels of Hg and Cd than males. Conversely, levels of Cu, Se or Pb did not appear to differ significantly between sexes. There was considerable individual variation in residue levels. This, coupled with the extensive annual migration undergone by these animals, made it difficult to arrive at definite conclusions regarding geographic accumulation patterns.

  17. Engineering Short Preorganized Peptide Sequences for Metal Ion Coordination: Copper(II) a Case Study.

    PubMed

    Lima, L M P; Iranzo, O

    2016-01-01

    Peptides are multidentate chiral ligands capable of coordinating different metal ions. Nowadays, they can be obtained with high yield and purity, thanks to the advances on peptide/protein chemistry as well as in equipment (peptide synthesizers). Based on the identity and length of their amino acid sequences, peptides can present different degrees of flexibility and folding. Although short peptide sequences (<20 amino acids) usually lack structure in solution, different levels of structural preorganization can be induced by introducing conformational constraints, such as β-turn/loop template sequences and backbone cyclization. For all these reasons, and the fact that one is not restricted to use proteinogenic amino acids, small peptidic scaffolds constitute a simple and versatile platform for the development of inorganic systems with tailor-made properties and functions. Here we outline a general approach to the design of short preorganized peptide sequences (10-16 amino acids) for metal ion coordination. Based on our experience, we present a general scheme for the design, synthesis, and characterization of these peptidic scaffolds and provide protocols for the study of their metal ion coordination properties.

  18. Synthesis, characterization and biological relevance of some metal (II) complexes with oxygen, nitrogen and oxygen (ONO) donor Schiff base ligand derived from thiazole and 2-hydroxy-1-naphthaldehyde

    NASA Astrophysics Data System (ADS)

    Nagesh, G. Y.; Mruthyunjayaswamy, B. H. M.

    2015-04-01

    The novel Schiff base ligand 2-((2-hydroxynaphthalen-1-yl)methylene)-N-(4-phenylthiazol-2-yl)hydrazinecarboxamide (L) obtained by the condensation of N-(4-phenylthiazol-2-yl)hydrazinecarboxamide with 2-hydroxy-1-naphthaldehyde and its newly synthesized Cu(II), Co(II), Ni(II), Zn(II) and Cd(II) complexes have been characterized by microanalysis, molar conductance, IR, 1H NMR, ESI-mass, UV-Visible, TGA/DTA, ESR and powder X-ray diffraction data to explicate their structures. The IR results confirmed the tridentate binding of the ligand involving oxygen atom of amide carbonyl, azomethine nitrogen and naphthol oxygen. 1H NMR spectral data of the ligand (L) and its Zn(II) complex agreed well with the proposed structures. Thermogravimetric studies for Cu(II) and Ni(II) complexes indicated the presence of coordinated water molecules and the final product is the metal oxide. In order to appraise the effect of antimicrobial activity of metal ions upon chelation, the newly synthesized ligand and its metal complexes were screened for their antimicrobial activity by minimum inhibitory concentration (MIC) method. The DNA cleavage activities were studied using plasmid DNA pBR322 (Bangal re Genei, Bengaluru, Cat. No 105850) as a target molecule by agarose gel electrophoresis method. The brine shrimp bioassay was also carried out to study the in vitro cytotoxicity properties against Artemia salina. Furthermore, the antioxidant activity were determined in vitro by reduction of 1,1-diphenyl-2-picryl hydrazyl (DPPH). The ligand exhibited better in vitro-antioxidant activity than its metal complexes.

  19. Unexpected metal ion-assisted transformations leading to unexplored bridging ligands in Ni(II) coordination chemistry: the case of PO3F(2-) group.

    PubMed

    Dermitzaki, Despina; Raptopoulou, Catherine P; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P; Stamatatos, Theocharis C

    2014-10-21

    The initial 'accidental', metal ion-assisted hydrolysis of PF6(-) to PO3F(2-) has been evolved in a systematic investigation of the bridging affinity of the latter group in Ni(II)/oximate chemistry; mono-, di- and trinuclear complexes have been prepared and confirmed both the rich reactivity of PO3F(2-) and its potential for further use as bridging ligand in high-nuclearity 3d-metal cluster chemistry.

  20. 12-Metal 36-membered ring based W(V)-Co(II) layers showing spin-glass behavior.

    PubMed

    Zhao, Liang; Duan, Ran; Zhuang, Peng-Fei; Zheng, Hui; Jiao, Cheng-Qi; Wang, Jun-Li; He, Cheng; Liu, Tao

    2015-07-28

    The present study describes the designed synthesis, X-ray structures, and magnetic properties of two 2D cyano bridged heterobimetallic W(V)-Co(II) networks, {[W(CN)8]2[Co(phpy)4]3}·2CH3OH·2H2O (1) and {[W(CN)8]2[Co(4-spy)4]3}·6H2O (2) (phpy = 4-phenylpyridine, 4-spy = 4-styrylpyridine). Both compounds consist of cyano-bridged 12-metal 36-membered ring units, Co6W6(CN)12, joined by organic linkers into a 2D plane. The layer presents a corrugated configuration in compound 1 and a plane configuration in compound 2 due to different π-π stacking interactions. Magnetic measurements reveal that both 1 and 2 have a transition to the spin glass-like phase due to competitive magnetic interactions. PMID:26076432

  1. Hydrogen Storage and Selective, Reversible O2 Adsorption in a Metal-Organic Framework with Open Chromium(II) Sites.

    PubMed

    Bloch, Eric D; Queen, Wendy L; Hudson, Matthew R; Mason, Jarad A; Xiao, Dianne J; Murray, Leslie J; Flacau, Roxana; Brown, Craig M; Long, Jeffrey R

    2016-07-18

    A chromium(II)-based metal-organic framework Cr3 [(Cr4 Cl)3 (BTT)8 ]2 (Cr-BTT; BTT(3-) =1,3,5-benzenetristetrazolate), featuring coordinatively unsaturated, redox-active Cr(2+) cation sites, was synthesized and investigated for potential applications in H2 storage and O2 production. Low-pressure H2 adsorption and neutron powder diffraction experiments reveal moderately strong Cr-H2 interactions, in line with results from previously reported M-BTT frameworks. Notably, gas adsorption measurements also reveal excellent O2 /N2 selectivity with substantial O2 reversibility at room temperature, based on selective electron transfer to form Cr(III) superoxide moieties. Infrared spectroscopy and powder neutron diffraction experiments were used to confirm this mechanism of selective O2 binding.

  2. Metal(II) complexes synthesized based on quinoline-2,3-dicarboxylate as electrocatalysts for the degradation of methyl orange.

    PubMed

    Gong, Yun; Zhang, Miao Miao; Qin, Jian Bo; Li, Jian; Meng, Jiang Ping; Lin, Jian Hua

    2014-06-14

    Based on quinoline-2,3-dicarboxylic acid (H2L), two metal(II) complexes formulated as MnL(phen)(H2O)·H2O (phen = 1,10-phenanthroline) (1) and Co(HL)2(PPA)·4H2O (PPA = N(1),N(4)-di(pyridin-4-yl)terephthalamide) (2) were synthesized and structurally characterized by single-crystal X-ray diffraction. Both complexes 1 and 2 exhibit one-dimensional (1D) chain-like structures, in which stable five-membered rings are observed. Different chains are linked by strong π-π stacking interactions into a three-dimensional (3D) supramolecular architecture. Both complexes can increase the degradation rate of methyl orange (MO), which is expected to be associated with their electrocatalytic activities for the H2 evolution reaction from water. PMID:24741675

  3. Hydrogen Storage and Selective, Reversible O2 Adsorption in a Metal-Organic Framework with Open Chromium(II) Sites.

    PubMed

    Bloch, Eric D; Queen, Wendy L; Hudson, Matthew R; Mason, Jarad A; Xiao, Dianne J; Murray, Leslie J; Flacau, Roxana; Brown, Craig M; Long, Jeffrey R

    2016-07-18

    A chromium(II)-based metal-organic framework Cr3 [(Cr4 Cl)3 (BTT)8 ]2 (Cr-BTT; BTT(3-) =1,3,5-benzenetristetrazolate), featuring coordinatively unsaturated, redox-active Cr(2+) cation sites, was synthesized and investigated for potential applications in H2 storage and O2 production. Low-pressure H2 adsorption and neutron powder diffraction experiments reveal moderately strong Cr-H2 interactions, in line with results from previously reported M-BTT frameworks. Notably, gas adsorption measurements also reveal excellent O2 /N2 selectivity with substantial O2 reversibility at room temperature, based on selective electron transfer to form Cr(III) superoxide moieties. Infrared spectroscopy and powder neutron diffraction experiments were used to confirm this mechanism of selective O2 binding. PMID:27249784

  4. Ternary complexes metal [Co(II), Ni(II), Cu(II) and Zn(II)]--ortho-iodohippurate (I-hip)--acyclovir. X-ray characterization of isostructural [(Co, Ni or Zn)(I-hip)(2)(ACV)(H(2)O)(3)] with stacking as a recognition factor.

    PubMed

    Barceló-Oliver, M; Terrón, A; García-Raso, A; Fiol, J J; Molins, E; Miravitlles, C

    2004-11-01

    Four ternary metal--ortho-iodohippurate (I-hip)--acyclovir (ACV) complexes, [M(I-hip)(2)(ACV)(H(2)O)(3)] where M is Co(II) (1), Ni(II) (2), Cu (3) and Zn(II) have been obtained by reaction between the corresponding binary complexes M(II)(I-hip)(2)xnH(2)O and ACV. Three ternary complexes (M=Co, Ni and Zn) and the corresponding Zn(II)--ortho-iodohippurate binary derivative have been structurally characterized by X-ray diffraction: The studies show these three ternary complexes are isostructural and present, in solid state, an interesting stacking between the nucleobase and the aryl ring of the hippurate moiety, which probably promotes the formation of ternary complexes. Moreover, the two different ligands interact between them by means of ancillary hydrogen bonds with water molecules coordinated to the metal ion. It must be mentioned that these two recognition factors, hydrogen bonds plus stacking, could explain the reason for the isostructurality of these ternary derivatives with so different three metal ions, with diverses trends in coordination numbers and geometries. In solid state, there are two enantiomeric molecules that are related by an inversion center as the crystal-building unit (as a translational motif) for the ternary complexes.

  5. PHASE-FIELD SIMULATION OF IRRADIATED METALS: PART II: GAS BUBBLE KINETICS

    SciTech Connect

    Paul C Millett; Anter El-Azab

    2011-01-01

    We present a phase-field model for inert gas bubble formation and evolution in irradiated metals. The model evolves vacancy, self-interstitial, and fission gas atoms through a coupled set of Cahn-Hilliard and Allen-Cahn equations, capturing the processes of defect generation, recombination, annihilation at GB sinks, as well as intragranular and intergranular bubble nucleation and growth in polycrystalline microstructures. Illustrative results are presented that characterize bubble growth and shrinkage, as well as the bubble density, size and nucleation rate as a function of varying irradiation conditions. Finally, intergranular bubble characteristics such as shape, pinning energy on GB motion, and bubble density are investigated.

  6. Development of a transport system for the copper source of the Texas Intense Positron Source facility

    NASA Astrophysics Data System (ADS)

    Doron, O.; Biegalski, S. R.; O'Kelly, S.; Hurst, B. J.

    2006-01-01

    The transport system design and construction for The Texas Intense Positron Source (TIPS) facility has been completed. This facility is located on beam port 1 of The University of Texas at Austin TRIGA Mark II 1.1 MW research reactor. The TIPS will provide a high intensity, variable energy positron beam for use in material studies. The natural copper source is transported into beam port 1 of the reactor where it is irradiated at close proximity to the reactor core. The transport system is an L-shaped aluminum channel that utilizes pulleys to drive a source cart. The copper source is transported on the cart into and out of the beam port for irradiation. After removal from the beam port, the activated copper positron source will be placed into a vacuum chamber where the positrons are moderated with annealed tungsten foil and electrostatically extracted.

  7. Mercury (II) reduction and co-precipitation of metallic mercury on hydrous ferric oxide in contaminated groundwater.

    PubMed

    Richard, Jan-Helge; Bischoff, Cornelia; Ahrens, Christian G M; Biester, Harald

    2016-01-01

    Mercury (Hg) speciation and sorption analyses in contaminated aquifers are useful for understanding transformation, retention, and mobility of Hg in groundwater. In most aquifers hydrous ferric oxides (HFOs) are among the most important sorbents for trace metals; however, their role in sorption or mobilization of Hg in aquifers has been rarely analyzed. In this study, we investigated Hg chemistry and Hg sorption to HFO under changing redox conditions in a highly HgCl2-contaminated aquifer (up to 870μgL(-1) Hg). Results from aqueous and solid phase Hg measurements were compared to modeled (PHREEQC) data. Speciation analyses of dissolved mercury indicated that Hg(II) forms were reduced to Hg(0) under anoxic conditions, and adsorbed to or co-precipitated with HFO. Solid phase Hg thermo-desorption measurements revealed that between 55 and 93% of Hg bound to HFO was elemental Hg (Hg(0)). Hg concentrations in precipitates reached more than 4 weight %, up to 7000 times higher than predicted by geochemical models that do not consider unspecific sorption to and co-precipitation of elemental Hg with HFO. The observed process of Hg(II) reduction and Hg(0) formation, and its retention and co-precipitation by HFO is thought to be crucial in HgCl2-contaminated aquifers with variable redox-conditions regarding the related decrease in Hg solubility (factor of ~10(6)), and retention of Hg in the aquifer.

  8. Facile metalation of silicon and germanium analogues of thiocarboxylic acids with a manganese(II) hydride precursor.

    PubMed

    Yao, Shenglai; Xiong, Yun; Driess, Matthias

    2012-09-01

    Synthesis and characterization of the first manganese(II)-containing heavier thiocarboxylate analogues, [L(Dip)Si(=S)OMnL(Dep)] (4; L(Dip)=CH[C(Me)N(2,6-iPr(2)C(6)H(3))](2), L(Dep)=CH[C(Me)N(2,6-Et(2)C(6)H(3))](2)) and [L(Dip)Ge(=S)OMnL(Dep)] (5) are described. They are accessible through reaction of the silicon and germanium analogues of the respective thiocarboxylic acids [L(Dip)E(=S)OH] (E=Si, Ge) with the β-diketiminato (nacnac) manganese(II) hydride precursor [(L(Dep)Mn)(2)(μ-H)(2)] (3) in high yield. The first Mn nacnac hydride 3 has been prepared by the reaction of manganese bromide [(L(Dep)Mn)(2)(μ-Br)(2)] (2) with KBEt(3)H. Compounds 4 and 5 represent the first transition-metal heavier thiocarboxylates with the Si=S and Ge=S functionalities. All new compounds are paramagnetic and were characterized by elemental analysis, IR spectroscopy, MS (EI), and single-crystal X-ray diffraction analyses. Due to the N→E (E=Si, Ge) and E=S→Mn donor-acceptor interaction as well as the carboxylate-like π-electron delocalization within the E(S)O moieties, the E=S double bonds in these compounds are resonance stabilized.

  9. Transition metal(II) complexes of vitamin B13 with monodentate orotate(1-) ligands

    NASA Astrophysics Data System (ADS)

    Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Şahin, Onur; Büyükgüngör, Orhan

    2006-05-01

    The formation of bisorotate(1-) complexes of the type [M(C 5H 3N 2O 4) 2(H 2O) 4]· nH 2O (M=Co, Ni, Zn and n=2, 4) was achieved by the reaction of ammonium orotate with the corresponding M(II) ions. The crystal structure of [Co(C 5H 3N 2O 4) 2(H 2O) 4]·2H 2O was determined by single crystal X-ray diffraction analysis. Each Co(II) ion in the monomeric Co(C 5H 3N 2O 4) 2(H 2O) 4 units adapts a slightly distorted octahedral geometry comprised of two monodentate orotate anions and four H 2O ligands. Columnar packing of pyrimidine rings along the c axis leads to the formation of layers that propagate parallel to the b axis and the adjacent layers are linked by hydrogen bonds forming a 3D lattice. Complexes of nickel and zinc were assumed to contain monodentate bound orotate ligands as well on the basis of physical and spectroscopic data.

  10. Preparation of manganese(II), chromium(III) and ferric(III) oxides nanoparticles in situ metal citraconate complexes frameworks.

    PubMed

    Refat, Moamen S

    2014-12-10

    The new reactions of some divalent and trivalent transition metal ions (Mn(II), Cr(III), and Fe(III)) with citraconic acid has been studied. The obtained results indicate the formation of citraconic acid compounds with molar ratio of metal to citraconic acid of 2:2 or 2:3 with general formulas Mn2(C5H4O4)2 or M2(C5H4O4)3⋅nH2O where n=6 for Cr, and Fe(III). The thermal decomposition of the crystalline solid complexes was investigated. The IR spectra of citraconate suggested that the carboxylic groups are bidentatically bridging and chelating. In the course of decomposition the complexes are dehydrated and then decompose either directly to oxides in only one step or with intermediate formation of oxocarbonates. This proposal dealing the preparation of MnO2, Fe2O3 and Cr2O3 nanoparticles. The crystalline structure of oxide products were checked by X-ray powder diffraction (XRD), and the morphology of particles by scanning electron microscopy (SEM). PMID:24952090

  11. Cylindrical Wire Electrical Discharge Machining of Metal Bond Diamond Wheels- Part II: Wheel Wear Mechanism

    SciTech Connect

    McSpadden, SB

    2002-01-22

    The use of stereo scanning Electron Microscopy (SEM) to investigate the wear mechanism of the wire EDM true metal bond diamond wheel for ceramic grinding is presented. On the grinding wheel, a wedge-shape removal part was machined to enable the examination and measurement of the worn wheel surfaces using the stereo SEM. The stereo SEM was calibrated by comparing results of depth profile of a wear groove with the profilometer measurements. On the surface of the grinding wheel after wire EDM truing and before grinding, the diamond protruding heights were measured in the level of 35 {micro}m, comparing to the 54 {micro}m average size of the diamond in the grinding wheel. The gap between the EDM wire and rotating grinding wheel is estimated to be about 35 to 40 {micro}m. This observation indicates that, during the wire EDM, electrical sparks occur between the metal bond and EDM wire, which leaves the diamond protruding in the gap between the wire and wheel. The protruding diamond is immediately fractured at the start of the grinding process, even under a light grinding condition. After heavy grinding, the grinding wheel surface and the diamond protrusion heights are also investigated using the stereo SEM. The height of diamond protrusion was estimated in the 5 to 15 {micro}m range. This study has demonstrated the use of stereo SEM as a metrology tool to study the grinding wheel surface.

  12. A novel route for the removal of bodily heavy metal lead (II)

    NASA Astrophysics Data System (ADS)

    Huang, Weirong; Zhang, Penghua; Xu, Hui; Chang, Shengli; He, Yongju; Wang, Fei; Liang, Gaowei

    2015-09-01

    The lead ion concentration in bile is considerably higher than in blood, and bile is released into the alimentary tract. Thiol-modified SBA-15 administered orally can combine with lead ions in the alimentary tract. In this paper, the in vitro lead absorption of bile was investigated. This thiol-modified SBA-15 material was used in pharmacodynamics studies on rabbits. The result that the lead content in faeces was notably higher indicates that thiol-modified SBA-15 can efficiently remove lead. The mechanism could include the following: thiol-modified SBA-15 material cuts off the heavy metal lead recirculation in the process of bile enterohepatic circulation by chelating the lead in the alimentary tract, causing a certain proportion of lead to be removed by the thiol mesoporous material, and the lead is subsequently egested out of the body in faeces. The results indicate that this material might be a potential non-injection material for the removal bodily heavy metal lead in the alimentary tract. This material may also be a useful means of lead removal, especially for non-acute sub-poisoning symptoms.

  13. A novel route for the removal of bodily heavy metal lead (II).

    PubMed

    Huang, Weirong; Zhang, Penghua; Xu, Hui; Chang, Shengli; He, Yongju; Wang, Fei; Liang, Gaowei

    2015-09-25

    The lead ion concentration in bile is considerably higher than in blood, and bile is released into the alimentary tract. Thiol-modified SBA-15 administered orally can combine with lead ions in the alimentary tract. In this paper, the in vitro lead absorption of bile was investigated. This thiol-modified SBA-15 material was used in pharmacodynamics studies on rabbits. The result that the lead content in faeces was notably higher indicates that thiol-modified SBA-15 can efficiently remove lead. The mechanism could include the following: thiol-modified SBA-15 material cuts off the heavy metal lead recirculation in the process of bile enterohepatic circulation by chelating the lead in the alimentary tract, causing a certain proportion of lead to be removed by the thiol mesoporous material, and the lead is subsequently egested out of the body in faeces. The results indicate that this material might be a potential non-injection material for the removal bodily heavy metal lead in the alimentary tract. This material may also be a useful means of lead removal, especially for non-acute sub-poisoning symptoms. PMID:26317506

  14. Determination of heavy metals at sub-ppm levels in seawater and dialysis solutions by FAAS after tetrakis(pyridine)-nickel(II)bis(thiocyanate) coprecipitation.

    PubMed

    Sahin, Uğur; Kartal, Senol; Ulgen, Ahmet

    2008-06-01

    A coprecipitation method has been developed for the determination of Cr(III), Mn(II), Fe(III), Co(II), Cu(II), Cd(II) and Pb(II) ions in aqueous samples by flame atomic absorption spectrometry (FAAS) with the combination of pyridine, nickel(II) as a carrier element and potassium thiocyanate as an auxiliary complexing agent. The obtained coprecipitates were dissolved with nitric acid and measured by FAAS. The coprecipitation conditions, such as the effect of the pH, amounts of nickel, pyridine and potassium thiocyanate, sample volume, and the standing time of the precipitate formation were examined in detail. It was found that the metal ions studied were quantitatively coprecipitated with tetrakis(pyridine)-nickel(II)bis(thiocyanate) precipitate (TP-Ni-BT) in the pH range of 9.0 - 10.5. The reliability of the results was evaluated by recovery tests, using synthetic seawater solutions spiked with the analyte metal ions. The obtained recoveries ranged from 96 to 101% for all of the metal ions investigated. The proposed method was validated by analyses of two certified reference materials (NIST SRM 2711 Montana soil and HPS Certified Waste Water Trace Metals Lot #D532205). It was also successfully applied to seawater and dialysis solution samples. The detection limits (n = 25, 3s) were in the range of 0.01-2.44 microg l(-1) for the studied elements and the relative standard deviations were < or =6%, which indicated that this method could fully satisfy the requirements for analysis of such samples as seawater and dialysis solution having high salt contents. PMID:18544864

  15. Positron scattering from vinyl acetate

    NASA Astrophysics Data System (ADS)

    Chiari, L.; Zecca, A.; Blanco, F.; García, G.; Brunger, M. J.

    2014-09-01

    Using a Beer-Lambert attenuation approach, we report measured total cross sections (TCSs) for positron scattering from vinyl acetate (C4H6O2) in the incident positron energy range 0.15-50 eV. In addition, we also report an independent atom model with screening corrected additivity rule computation results for the TCSs, differential and integral elastic cross sections, the positronium formation cross section and inelastic integral cross sections. The energy range of these calculations is 1-1000 eV. While there is a reasonable qualitative correspondence between measurement and calculation for the TCSs, in terms of the energy dependence of those cross sections, the theory was found to be a factor of ˜2 larger in magnitude at the lower energies, even after the measured data were corrected for the forward angle scattering effect.

  16. Positron annihilation in transparent ceramics

    NASA Astrophysics Data System (ADS)

    Husband, P.; Bartošová, I.; Slugeň, V.; Selim, F. A.

    2016-01-01

    Transparent ceramics are emerging as excellent candidates for many photonic applications including laser, scintillation and illumination. However achieving perfect transparency is essential in these applications and requires high technology processing and complete understanding for the ceramic microstructure and its effect on the optical properties. Positron annihilation spectroscopy (PAS) is the perfect tool to study porosity and defects. It has been applied to investigate many ceramic structures; and transparent ceramics field may be greatly advanced by applying PAS. In this work positron lifetime (PLT) measurements were carried out in parallel with optical studies on yttrium aluminum garnet transparent ceramics in order to gain an understanding for their structure at the atomic level and its effect on the transparency and light scattering. The study confirmed that PAS can provide useful information on their microstructure and guide the technology of manufacturing and advancing transparent ceramics.

  17. Copper (II) and zinc (ii) metal-based salicyl-, furanyl-, thienyl- and pyrrolyl-derived ONNO, NNNO, ONNS & NNNS donor asymmetrically mixed schiff-bases with antibacterial and antifungal potentials.

    PubMed

    Chohan, Zahid H; Arif, M; Rashid, A

    2008-12-01

    A new series of asymmetric salicyl-, furanyl-, thienyl- and pyrrolyl-derived ONNO, NNNO, ONNS & NNNS donor antibacterial and antifungal Schiff-bases and their copper(II) and zinc(II) metal complexes have been synthesized and characterized. IR spectra indicated the ligands to act as quartdentate towards divalent metal ions via two azomethine-N, deprotonated-O of salicyl, furanyl-O, thienyl-S and/or pyrrolyl-N. The magnetic moments and electronic spectral data suggest octahedral geometry for Cu(II) and Zn(II) complexes. NMR spectral data of the ligands and their diamagnetic zinc(II) complexes well-define their proposed structures/geometries. Elemental analyses data of the ligands and metal complexes agree with their proposed structures/geometries. The synthesized ligands, along with their metal complexes were screened for their antibacterial activity against B. cereus, C. diphtheriae, E. coli, K. pneumoniae, P. mirabilis, P. aeruginosa, S. typhi, S. dysenteriae and S. aureus strains and for in-vitro antifungal activity against T. schoenleinii, C. glabrata, P. boydii, C. albicans, A. niger, M. canis and T. mentagrophytes. The results of these studies show the metal complexes to be more antibacterial/antifungal against one or more species as compared to the uncomplexed ligands. The brine shrimp bioassay was also carried out to study their in-vitro cytotoxic properties. Eight compounds, L(4), (1), (7), (8), (11), (17), (19) and (23) displayed potent cytotoxic activity with LD(50) = 1.445 x 10(- 3), 1.021 x 10(- 3), 7.478 x 10(- 4), 8.566 x 10(- 4), 1.028 x 10(- 3), 9.943 x 10(- 4), 8.730 x 10(- 4) and 1.124 x 10(- 3) M respectively, against Artemia salina. PMID:19005942

  18. Preliminary anti-cancer photodynamic therapeutic in vitro studies with mixed-metal binuclear ruthenium(II)-vanadium(IV) complexes.

    PubMed

    Holder, Alvin A; Taylor, Patrick; Magnusen, Anthony R; Moffett, Erick T; Meyer, Kyle; Hong, Yiling; Ramsdale, Stuart E; Gordon, Michelle; Stubbs, Javelyn; Seymour, Luke A; Acharya, Dhiraj; Weber, Ralph T; Smith, Paul F; Dismukes, G Charles; Ji, Ping; Menocal, Laura; Bai, Fengwei; Williams, Jennie L; Cropek, Donald M; Jarrett, William L

    2013-09-01

    We report the synthesis and characterisation of mixed-metal binuclear ruthenium(II)-vanadium(IV) complexes, which were used as potential photodynamic therapeutic agents for melanoma cell growth inhibition. The novel complexes, [Ru(pbt)2(phen2DTT)](PF6)2·1.5H2O 1 (where phen2DTT = 1,4-bis(1,10-phenanthrolin-5-ylsulfanyl)butane-2,3-diol and pbt = 2-(2'-pyridyl)benzothiazole) and [Ru(pbt)2(tpphz)](PF6)2·3H2O 2 (where tpphz = tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine) were synthesised and characterised. Compound 1 was reacted with [VO(sal-L-tryp)(H2O)] (where sal-L-tryp = N-salicylidene-L-tryptophanate) to produce [Ru(pbt)2(phen2DTT)VO(sal-L-tryp)](PF6)2·5H2O 4; while [VO(sal-L-tryp)(H2O)] was reacted with compound 2 to produce [Ru(pbt)2(tpphz)VO(sal-L-tryp)](PF6)2·6H2O 3. All complexes were characterised by elemental analysis, HRMS, ESI MS, UV-visible absorption, ESR spectroscopy, and cyclic voltammetry, where appropriate. In vitro cell toxicity studies (with the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) colorimetric assay) via dark and light reaction conditions were carried out with sodium diaqua-4,4',4'',4''' tetrasulfophthalocyaninecobaltate(II) (Na4[Co(tspc)(H2O)2]), [VO(sal-L-tryp)(phen)]·H2O, and the chloride salts of complexes 3 and 4. Such studies involved A431, human epidermoid carcinoma cells; human amelanotic malignant melanoma cells; and HFF, non-cancerous human skin fibroblast cells. Both chloride salts of complexes 3 and 4 were found to be more toxic to melanoma cells than to non-cancerous fibroblast cells, and preferentially led to apoptosis of the melanoma cells over non-cancerous skin cells. The anti-cancer property of the chloride salts of complexes 3 and 4 was further enhanced when treated cells were exposed to light, while no such effect was observed on non-cancerous skin fibroblast cells. ESR and (51)V NMR spectroscopic studies were also used to assess the stability of the chloride salts of complexes 3

  19. Bruno Touschek: From Betatrons to Electron-Positron Colliders

    NASA Astrophysics Data System (ADS)

    Bernardini, Carlo; Pancheri, Giulia; Pellegrini, Claudio

    Bruno Touschek's life as a physicist spanned the period from World War II to the 1970s. He was a key figure in the developments of electron-positron colliders and storage rings, and made important contributions to theoretical high energy physics. Storage rings, initially developed for high energy physics, are being widely used in many countries as synchrotron radiation sources and are a tool for research in physics, chemistry, biology, environmental sciences and cultural heritage studies. We describe Touschek's life in Austria, where he was born, in Germany, where he participated in the construction of a betatron during WWII, and in Italy, where he proposed and led to completion the first electron-positron storage ring in 1960, in Frascati. We highlight how his central European culture influenced his lifestyle and work, and his main contributions to physics, such as the discovery of the Touschek effect and beam instabilities in the larger storage ring ADONE.

  20. Bruno Touschek: From Betatrons to Electron-Positron Colliders

    NASA Astrophysics Data System (ADS)

    Bernardini, Carlo; Pancheri, Giulia; Pellegrini, Claudio

    Bruno Touschek’s life as a physicist spanned the period from World War II to the 1970s. He was a key figure in the developments of electron-positron colliders and storage rings, and made important contributions to theoretical high energy physics. Storage rings, initially developed for high energy physics, are being widely used in many countries as synchrotron radiation sources and are a tool for research in physics, chemistry, biology, environmental sciences and cultural heritage studies. We describe Touschek’s life in Austria, where he was born, in Germany, where he participated in the construction of a betatron during WWII, and in Italy, where he proposed and led to completion the first electron-positron storage ring in 1960, in Frascati. We highlight how his central European culture influenced his lifestyle and work, and his main contributions to physics, such as the discovery of the Touschek effect and beam instabilities in the larger storage ring ADONE.

  1. Characterization of Cu(II) and Cd(II) resistance mechanisms in Sphingobium sp. PHE-SPH and Ochrobactrum sp. PHE-OCH and their potential application in the bioremediation of heavy metal-phenanthrene co-contaminated sites.

    PubMed

    Chen, Chen; Lei, Wenrui; Lu, Min; Zhang, Jianan; Zhang, Zhou; Luo, Chunling; Chen, Yahua; Hong, Qing; Shen, Zhenguo

    2016-04-01

    Soil that is co-contaminated with heavy metals (HMs) and polycyclic aromatic hydrocarbons (PAHs) is difficult to bioremediate due to the ability of toxic metals to inhibit PAH degradation by bacteria. We demonstrated the resistance mechanisms to Cu(II) and Cd(II) of two newly isolated strains of Sphingobium sp. PHE-SPH and Ochrobactrum sp. PHE-OCH and further tested their potential application in the bioremediation of HM-phenanthrene (PhA) co-contaminated sites. The PHE-SPH and PHE-OCH strains tolerated 4.63 and 4.34 mM Cu(II) and also showed tolerance to 0.48 and 1.52 mM Cd(II), respectively. Diverse resistance patterns were detected between the two strains. In PHE-OCH cells, the maximum accumulation of Cu(II) occurred in the cell wall, while the maximum accumulation was in the cytoplasm of PHE-SPH cells. This resulted in a sudden suppression of growth in PHE-OCH and a gradual inhibition in PHE-SPH as the concentration of Cu(II) increased. Organic acid production was markedly higher in PHE-OCH than in PHE-SPH, which may also have a role in the resistance mechanisms, and contributes to the higher Cd(II) tolerance of PHE-OCH. The factors involved in the absorption of Cu(II) or Cd(II) in PHE-SPH and PHE-OCH were identified as proteins and carbohydrates by Fourier transform infrared (FT-IR) spectroscopy. Furthermore, both strains showed the ability to efficiently degrade PhA and maintained this high degradation efficiency under HM stress. The high tolerance to HMs and the PhA degradation capacity make Sphingobium sp. PHE-SPH and Ochrobactrum sp. PHE-OCH excellent candidate organisms for the bioremediation of HM-PhA co-contaminated sites.

  2. Synthesis and characterization of a series of transition metal complexes with a new symmetrical polyoxaaza macroacyclic Schiff base ligand: X-ray crystal structure of cobalt(II) and nickel(II) complexes and their antibacterial properties

    NASA Astrophysics Data System (ADS)

    Keypour, Hassan; Shayesteh, Maryam; Rezaeivala, Majid; Chalabian, Firoozeh; Valencia, Laura

    2013-01-01

    A new symmetrical [N4O2] hexadentate Schiff base ligand, (E)-N-(pyridin-2-ylmethylene)-2-(3-(2-((E)-pyridin-2-lmethyleneamino)phenoxy)naphthalen-2-yloxy)benzenamine, abbreviated to L, and its complexes of Ni(II), Cu(II), Zn(II), Co(II), Cd(II) and Mn(II) have been synthesized in the presence of metal ions. The complexes were structurally characterized by elemental analyses, IR, UV-Vis, NMR and molar conductivity. The crystal structures of two complexes, [NiL(ONO2)2]·2H2O and [CoLCl2]CH3OH·0.5H2O, have been determined by a single crystal X-ray diffraction study. In these complexes, the ligand is coordinated in a neutral form via pyridine and azomethine nitrogen atoms. The metal ions complete their six coordination with two coordinated nitrate or chloride ions, forming a distorted octahedral geometry. The synthesized compounds have antibacterial activity against the three Gram-positive bacteria: Enterococcus faecalis, Bacillus cereus and Staphylococcus epid and also against the three Gram-negative bacteria: Citrobacter freundii, Enterobacter aerogenes and Salmonella typhi. The activity data show that the complexes are more potent antibacterials than the parent Schiff base.

  3. MoTe_{2}: A Type-II Weyl Topological Metal.

    PubMed

    Wang, Zhijun; Gresch, Dominik; Soluyanov, Alexey A; Xie, Weiwei; Kushwaha, S; Dai, Xi; Troyer, Matthias; Cava, Robert J; Bernevig, B Andrei

    2016-07-29

    Based on the ab initio calculations, we show that MoTe_{2}, in its low-temperature orthorhombic structure characterized by an x-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the Nth and (N+1)th bands, where N is the total number of valence electrons per unit cell. Other WPs and nodal lines between different other bands also appear close to the Fermi level due to a complex topological band structure. We predict a series of strain-driven topological phase transitions in this compound, opening a wide range of possible experimental realizations of different topological semimetal phases. Crucially, with no strain, the number of observable surface Fermi arcs in this material is 2-the smallest number of arcs consistent with time-reversal symmetry. PMID:27517788

  4. The interaction of zinc(II) and hydroxamic acids and a metal-triggered Lossen rearrangement.

    PubMed

    Duchácková, Lucie; Roithová, Jana

    2009-12-14

    The structure and reactivity of a complex of zinc(II), water, acetic acid, and acetohydroxamic acid, in which one of the acids is deprotonated, is investigated by means of mass spectrometry, labeling studies, and density functional calculations to unravel the exceptional binding properties of hydroxamic acids towards zinc-containing enzymes at the molecular level. It is shown that acetohydroxamic acid is deprotonated in the complex, whereas acetic acid is present in its neutral form. The binding energies of the ligands towards zinc increase in the following order: water

  5. MoTe2 : A Type-II Weyl Topological Metal

    NASA Astrophysics Data System (ADS)

    Wang, Zhijun; Gresch, Dominik; Soluyanov, Alexey A.; Xie, Weiwei; Kushwaha, S.; Dai, Xi; Troyer, Matthias; Cava, Robert J.; Bernevig, B. Andrei

    2016-07-01

    Based on the ab initio calculations, we show that MoTe2 , in its low-temperature orthorhombic structure characterized by an x-ray diffraction study at 100 K, realizes 4 type-II Weyl points between the N th and (N +1 )th bands, where N is the total number of valence electrons per unit cell. Other WPs and nodal lines between different other bands also appear close to the Fermi level due to a complex topological band structure. We predict a series of strain-driven topological phase transitions in this compound, opening a wide range of possible experimental realizations of different topological semimetal phases. Crucially, with no strain, the number of observable surface Fermi arcs in this material is 2—the smallest number of arcs consistent with time-reversal symmetry.

  6. Mid-IR gain media based on transition metal-doped II-VI chalcogenides

    NASA Astrophysics Data System (ADS)

    Mirov, S. B.; Fedorov, V. V.; Martyshkin, D. V.; Moskalev, I. S.; Mirov, M. S.; Gafarov, O.; Martinez, A.; Peppers, J.; Smolski, V.; Vasilyev, S.; Gapontsev, V.

    2016-02-01

    Progress in fabrication and mid-IR lasing of Cr and Fe thermal-diffusion and radiation enhanced thermal diffusion doped II-VI binary and ternary polycrystals is reported. We demonstrate novel design of mid-IR Fe:ZnSe and Cr:ZnSe/S solid state lasers with significant improvement of output average power up to 35W@4.1 μm and 57W@2.5 μm and 20W@2.94 μm. We report significantly improved output characteristics of polycrystalline Cr:ZnS/Se lasers in gain-switched regime: 16 mJ at 200 Hz, pulse duration 5 ns with tunability over 2400-3000 nm as well as Kerr-Lens-Mode-Locked regime in terms of average power (up to 2 W), peak power and pulse energy (0.5 MW and 24 nJ, respectively), and pulse duration (less than 29 fs).

  7. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: Synthesis, spectroscopic characterization, molecular modeling and fungicidal study

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

    2015-02-01

    Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3‧-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, 1H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl-, CH3COO-. The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

  8. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: synthesis, spectroscopic characterization, molecular modeling and fungicidal study.

    PubMed

    Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

    2015-02-01

    Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3'-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, (1)H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl(-), CH3COO(-). The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

  9. Rational synthesis of an exceptionally stable Zn(II) metal-organic framework for the highly selective and sensitive detection of picric acid.

    PubMed

    Hu, Yingli; Ding, Meili; Liu, Xiao-Qin; Sun, Lin-Bing; Jiang, Hai-Long

    2016-04-28

    Based on an organic ligand involving both carboxylate and tetrazole groups, a chemically stable Zn(II) metal-organic framework has been rationally synthesized and behaves as a fluorescence chemosensor for the highly selective and sensitive detection of picric acid, an extremely hazardous and strong explosive. PMID:27046028

  10. Enhancement of chitosan-graphene oxide SPR sensor with a multi-metallic layers of Au-Ag-Au nanostructure for lead(II) ion detection

    NASA Astrophysics Data System (ADS)

    Kamaruddin, Nur Hasiba; Bakar, Ahmad Ashrif A.; Yaacob, Mohd Hanif; Mahdi, Mohd Adzir; Zan, Mohd Saiful Dzulkefly; Shaari, Sahbudin

    2016-01-01

    We demonstrate the enhancement of surface plasmon resonance (SPR) technique by implementing a multi-metallic layers of Au-Ag-Au nanostructure in the chitosan-graphene oxide (CS-GO) SPR sensor for lead(II) ion detection. The performance of the sensor is analyzed via SPR measurements, from which the sensitivity, signal-to-noise ratio and repeatability are determined. The nanostructure layers are characterized using field emission scanning electron microscopy (FESEM), atomic force microscopy (AFM), X-ray diffraction (XRD), Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). We showed that the proposed structure has increased the shift in the SPR angle up to 3.5° within the range of 0.1-1 ppm due to the enhanced evanescent field at the sensing layer-analyte interface. This sensor also exhibits great repeatability which benefits from the stable multi-metallic nanostructure. The SNR value of 0.92 for 5 ppm lead(II) ion solution and reasonable linearity range up to that concentration shows that the tri-metallic CS-GO SPR sensor gives a good response towards the lead(II) ion solution. The CS-GO SPR sensor is also sensitive to at least a 10-5 change in the refractive index. The results prove that our proposed tri-metallic CS-GO SPR sensor demonstrates a strong performance and reliability for lead(II) ion detection in accordance with the standardized lead safety level for wastewater.

  11. The GHOSTS survey - II. The diversity of halo colour and metallicity profiles of massive disc galaxies

    NASA Astrophysics Data System (ADS)

    Monachesi, Antonela; Bell, Eric F.; Radburn-Smith, David J.; Bailin, Jeremy; de Jong, Roelof S.; Holwerda, Benne; Streich, David; Silverstein, Grace

    2016-04-01

    We study the stellar halo colour properties of six nearby massive highly inclined disc galaxies using Hubble space telescope Advanced Camera for Surveys and Wide Field Camera 3 observations in both F606W and F814W filters from the GHOSTS (Galaxy Halos, Outer disks, Substructure, Thick disks, and Star clusters) survey. The observed fields probe the stellar outskirts out to projected distances of ˜50-70 kpc from their galactic centre along the minor axis. The 50 per cent completeness levels of the colour-magnitude diagrams are typically at 2 mag below the tip of the red giant branch (RGB). We find that all galaxies have extended stellar haloes out to ˜50 kpc and two out to ˜70 kpc. We determined the halo colour distribution and colour profile for each galaxy using the median colours of stars in the RGB. Within each galaxy, we find variations in the median colours as a function of radius which likely indicates population variations, reflecting that their outskirts were built from several small accreted objects. We find that half of the galaxies (NGC 0891, NGC 4565, and NGC 7814) present a clear negative colour gradient in their haloes, reflecting a declining metallicity; the other have no significant colour or population gradient. In addition, notwithstanding the modest sample size of galaxies, there is no strong correlation between their halo colour/metallicity or gradient with galaxy's properties such as rotational velocity or stellar mass. The diversity in halo colour profiles observed in the GHOSTS galaxies qualitatively supports the predicted galaxy-to-galaxy scatter in halo stellar properties, a consequence of the stochasticity inherent in the assembling history of galaxies.

  12. Nonplanar positron-acoustic Gardner solitary waves in electron-positron-ion plasmas with superthermal electrons and positrons

    SciTech Connect

    Uddin, M. J. Alam, M. S.; Mamun, A. A.

    2015-02-15

    Nonplanar (cylindrical and spherical) positron-acoustic (PA) Gardner solitary waves (SWs) in an unmagnetized plasma system consisting of immobile positive ions, mobile cold positrons, and superthermal (kappa distributed) hot positrons and electrons are investigated. The modified Gardner equation is derived by using the reductive perturbation technique. The effects of cylindrical and spherical geometries, superthermal parameter of hot positrons and electrons, relative temperature ratios, and relative number density ratios on the PA Gardner SWs are studied by using the numerical simulations. The implications of our results in various space and laboratory plasma environments are briefly discussed.

  13. Metal- and anion-directed assemblies of CuII, CoII, NiII, and ZnII coordination polymers based on a bent dipyridyl ligand 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole and malonic acid

    NASA Astrophysics Data System (ADS)

    Jiang, Cheng-Hui; Qi, Yan-Mei; Sun, Yu; Chi, Qin; Guo, Ya-Mei

    2012-06-01

    This work presents six CuII, CoII, NiII, and ZnII coordination polymers assembled from a bent dipyridyl ligand 4-amino-3,5-bis(3-pyridyl)-1,2,4-triazole (3-bpt) and malonic acid (H2mal), which have been prepared at ambient conditions in water-methanol solution. Single-crystal X-ray diffraction indicates that these complexes show a variety of 1-D (for 2-6) and 2-D (for 1) coordination patterns. The results evidently reveal the versatility of 3-bpt with different configurations and binding modes in coordination assemblies, which will be profoundly influenced by the metal ions and even inorganic counter anions. Furthermore, extended supramolecular architectures are constructed via multiple secondary interactions such as hydrogen bonding and aromatic stacking.

  14. Positron annihilation in the interstellar medium

    NASA Technical Reports Server (NTRS)

    Guessoum, Nidhal; Ramaty, Reuven; Lingenfelter, Richard E.

    1991-01-01

    Positronium formation and annihilation are studied in a model for the interstellar medium consisting of cold cloud cores, warm partially ionized cloud envelopes, and hot intercloud gas. The gamma-ray spectra resulting from positron annihilation in these components of the interstellar medium are calculated. The spectra from the individual components are then combined, using two limiting assumptions for the propagation of the positrons, namely, that the positrons propagate freely throughout the interstellar medium, and that the positrons are excluded from the cold cloud cores. In the first case, the bulk of the positrons annihilate in the cloud cores and the annihilation line exhibits broad wings resulting from the annihilation of positronium formed by charge exchange in flight. In the second case, the positrons annihilate mainly in the warm envelopes, and the line wings are suppressed.

  15. Development of a transmission positron microscope

    NASA Astrophysics Data System (ADS)

    Matsuya, M.; Jinno, S.; Ootsuka, T.; Inoue, M.; Kurihara, T.; Doyama, M.; Inoue, M.; Fujinami, M.

    2011-07-01

    A practical transmission positron microscope (TPM) JEM-1011B has been developed to survey differences in the interaction of positron and electron beams with materials, and is installed in the Slow Positron Facility of High Energy Accelerator Research Organization (KEK). The TPM can share positron and electron beams, and can also be used as a transmission electron microscope (TEM). Positron transmission images up to magnification 10,000× (resolution: 50 nm) and positron diffraction patterns up to 044 family were successfully obtained by the TPM comparing them with those of electrons. The differences in material transmittances for both beams have been measured, and can be explained by the calculated results of the Monte Carlo simulation code PENELOPE-2008.

  16. Metalloprotein-inhibitor binding: human carbonic anhydrase II as a model for probing metal-ligand interactions in a metalloprotein active site.

    PubMed

    Martin, David P; Hann, Zachary S; Cohen, Seth M

    2013-11-01

    An ever-increasing number of metalloproteins are being discovered that play essential roles in physiological processes. Inhibitors of these proteins have significant potential for the treatment of human disease, but clinical success of these compounds has been limited. Herein, zinc(II)-dependent metalloprotein inhibitors in clinical use are reviewed, and the potential for using novel metal-binding groups (MBGs) in the design of these inhibitors is discussed. By using human carbonic anhydrase II as a model system, the nuances of MBG-metal interactions in the context of a protein environment can be probed. Understanding how metal coordination influences inhibitor binding may help in the design of new therapeutics targeting metalloproteins.

  17. Next Generation Metallic Iron Nodule Technology in Electric Arc Steelmaking - Phase II

    SciTech Connect

    Donald R. Fosnacht; Iwao Iwasaki; Richard F. Kiesel; David J. Englund; David W. Hendrickson; Rodney L. Bleifuss

    2010-12-22

    The current trend in the steel industry is a gradual decline in conventional steelmaking from taconite pellets in blast furnaces, and an increasing number of alternative processes using metallic scrap iron, pig iron and metallized iron ore products. Currently, iron ores from Minnesota and Michigan are pelletized and shipped to the lower Great Lakes ports as blast furnace feed. The existing transportation system and infrastructure is geared to handling these bulk materials. In order to expand the opportunities for the existing iron ore mines beyond their blast furnace customer base, a new material is needed to satisfy the needs of the emerging steel industry while utilizing the existing infrastructure and materials handling. A recent commercial installation employing Kobe Steel’s ITmk3 process, was installed in Northeastern Minnesota. The basic process uses a moving hearth furnace to directly reduce iron oxides to metallic iron from a mixture of iron ore, coals and additives. The resulting products can be shipped using the existing infrastructure for use in various steelmaking processes. The technology reportedly saves energy by 30% over the current integrated steelmaking process and reduces emissions by more than 40%. A similar large-scale pilot plant campaign is also currently in progress using JFE Steel’s Hi-QIP process in Japan. The objective of this proposal is to build upon and improve the technology demonstrated by Kobe Steel and JFE, by further reducing cost, improving quality and creating added incentive for commercial development. This project expands previous research conducted at the University of Minnesota Duluth’s Natural Resources Research Institute and that reported by Kobe and JFE Steel. Three major issues have been identified and are addressed in this project for producing high-quality nodular reduced iron (NRI) at low cost: (1) reduce the processing temperature, (2) control the furnace gas atmosphere over the NRI, and (3) effectively use sub

  18. Enhancing the Magnetic Anisotropy of Linear Cr(II) Chain Compounds Using Heavy Metal Substitutions.

    PubMed

    Christian, Jonathan H; Brogden, David W; Bindra, Jasleen K; Kinyon, Jared S; van Tol, Johan; Wang, Jingfang; Berry, John F; Dalal, Naresh S

    2016-07-01

    Magnetic properties of the series of three linear, trimetallic chain compounds Cr2Cr(dpa)4Cl2, 1, Mo2Cr(dpa)4Cl2, 2, and W2Cr(dpa)4Cl2, 3 (dpa = 2,2'-dipyridylamido), have been studied using variable-temperature dc and ac magnetometry and high-frequency EPR spectroscopy. All three compounds possess an S = 2 electronic ground state arising from the terminal Cr(2+) ion, which exhibits slow magnetic relaxation under an applied magnetic field, as evidenced by ac magnetic susceptibility and magnetization measurements. The slow relaxation stems from the existence of an easy-axis magnetic anisotropy, which is bolstered by the axial symmetry of the compounds and has been quantified through rigorous high-frequency EPR measurements. The magnitude of D in these compounds increases when heavier ions are substituted into the trimetallic chain; thus D = -1.640, -2.187, and -3.617 cm(-1) for Cr2Cr(dpa)4Cl2, Mo2Cr(dpa)4Cl2, and W2Cr(dpa)4Cl2, respectively. Additionally, the D value measured for W2Cr(dpa)4Cl2 is the largest yet reported for a high-spin Cr(2+) system. While earlier studies have demonstrated that ligands containing heavy atoms can enhance magnetic anisotropy, this is the first report of this phenomenon using heavy metal atoms as "ligands". PMID:26881994

  19. Bio-sensitive activities of coordination compounds containing 1,10-phenanthroline as co-ligand: Synthesis, structural elucidation and DNA binding properties of metal(II) complexes

    NASA Astrophysics Data System (ADS)

    Raman, Natarajan; Mahalakshmi, Rajkumar; Mitu, Liviu

    2014-10-01

    Present work reports the DNA binding and cleavage characteristics of a series of mixed-ligand complexes having the composition [M(L)(phen)2]Cl2 (where M = Cu(II), Ni(II), Co(II) and Zn(II) and phen as co-ligand) in detail. Their structural features and other properties have been deduced from their elemental analyses, magnetic susceptibility and molar conductivity as well as from IR, UV-Vis, 1H NMR and EPR spectral studies. The UV-Vis, magnetic susceptibility and EPR spectral data of metal complexes suggest an octahedral geometry. The binding properties of these complexes with calf thymus DNA (CT-DNA) have been explored using electronic absorption spectroscopy, viscosity measurement, cyclic voltammetry and differential pulse voltammetry. The DNA-binding constants for Cu(II), Ni(II), Co(II), and Zn(II) complexes are 6.14 × 105 M-1, 1.8 × 105 M-1, 6.7 × 104 M-1 and 2.5 × 104 M-1 respectively. Detailed analysis reveals that these complexes interact with DNA through intercalation binding. Nuclease activity has also been investigated by gel electrophoresis. Moreover, the synthesized Schiff base and its mixed-ligand complexes have been screened for antibacterial and antifungal activities. The data reveal that the complexes exhibit higher activity than the parent ligand.

  20. KEK-IMSS Slow Positron Facility

    NASA Astrophysics Data System (ADS)

    Hyodo, T.; Wada, K.; Yagishita, A.; Kosuge, T.; Saito, Y.; Kurihara, T.; Kikuchi, T.; Shirakawa, A.; Sanami, T.; Ikeda, M.; Ohsawa, S.; Kakihara, K.; Shidara, T.

    2011-12-01

    The Slow Positron Facility at the Institute of Material Structure Science (IMSS) of High Energy Accelerator Research Organization (KEK) is a user dedicated facility with an energy tunable (0.1 - 35 keV) slow positron beam produced by a dedicated 55MeV linac. The present beam line branches have been used for the positronium time-of-flight (Ps-TOF) measurements, the transmission positron microscope (TPM) and the photo-detachment of Ps negative ions (Ps-). During the year 2010, a reflection high-energy positron diffraction (RHEPD) measurement station is going to be installed. The slow positron generator (converter/ moderator) system will be modified to get a higher slow positron intensity, and a new user-friendly beam line power-supply control and vacuum monitoring system is being developed. Another plan for this year is the transfer of a 22Na-based slow positron beam from RIKEN. This machine will be used for the continuous slow positron beam applications and for the orientation training of those who are interested in beginning researches with a slow positron beam.

  1. Spin Forming Aluminum Crew Module (CM) Metallic Aft Pressure Vessel Bulkhead (APVBH) - Phase II

    NASA Technical Reports Server (NTRS)

    Hoffman, Eric K.; Domack, Marcia S.; Torres, Pablo D.; McGill, Preston B.; Tayon, Wesley A.; Bennett, Jay E.; Murphy, Joseph T.

    2015-01-01

    The principal focus of this project was to assist the Multi-Purpose Crew Vehicle (MPCV) program in developing a spin forming fabrication process for manufacture of the Orion crew module (CM) aft pressure vessel bulkhead. The spin forming process will enable a single piece aluminum (Al) alloy 2219 aft bulkhead resulting in the elimination of the current multiple piece welded construction, simplify CM fabrication, and lead to an enhanced design. Phase I (NASA TM-2014-218163, (1)) of this assessment explored spin forming the single-piece CM forward pressure vessel bulkhead. The MPCV Program and Lockheed Martin (LM) recently made two critical decisions relative to the NESC Phase I work scope: (1) LM selected the spin forming process to manufacture a singlepiece aft bulkhead for the Orion CM, and (2) the aft bulkhead will be manufactured from Al 2219. Based on the Program's new emphasis related to the spin forming process, the NESC was asked to conduct a Phase II assessment to assist in the LM manufacture of the aft bulkhead and to conduct a feasibility study into spin forming the Orion CM cone. This activity was approved on June 19, 2013. Dr. Robert Piascik, NASA Technical Fellow for Materials at the Langley Research Center (LaRC), was selected to lead this assessment. The project plan was approved by the NASA Engineering and Safety Center (NESC) Review Board (NRB) on July 18, 2013. The primary stakeholders for this assessment are the NASA and LM MPCV Program offices. Additional benefactors are commercial launch providers developing CM concepts.

  2. Spin Forming Aluminum Crew Module (CM) Metallic Aft Pressure Vessel Bulkhead (APVBH) - Phase II

    NASA Technical Reports Server (NTRS)

    Hoffman, Eric K.; Domack, Marcia S.; Torres, Pablo D.; McGill, Preston B.; Tayon, Wesley A.; Bennett, Jay E.; Murphy, Joseph T.

    2015-01-01

    The principal focus of this project was to assist the Multi-Purpose Crew Vehicle (MPCV) Program in developing a spin forming fabrication process for manufacture of the Orion crew module (CM) aft pressure vessel bulkhead. The spin forming process will enable a single piece aluminum (Al) alloy 2219 aft bulkhead resulting in the elimination of the current multiple piece welded construction, simplify CM fabrication, and lead to an enhanced design. Phase I (NASA TM-2014-218163 (1)) of this assessment explored spin forming the single-piece CM forward pressure vessel bulkhead. The Orion MPCV Program and Lockheed Martin (LM) recently made two critical decisions relative to the NESC Phase I work scope: (1) LM selected the spin forming process to manufacture a single-piece aft bulkhead for the Orion CM, and (2) the aft bulkhead will be manufactured from Al 2219. Based on the Program's new emphasis related to the spin forming process, the NESC was asked to conduct a Phase II assessment to assist in the LM manufacture of the aft bulkhead and to conduct a feasibility study into spin forming the Orion CM cone. This activity was approved on June 19, 2013. Dr. Robert Piascik, NASA Technical Fellow for Materials at the Langley Research Center (LaRC), was selected to lead this assessment. The project plan was approved by the NASA Engineering and Safety Center (NESC) Review Board (NRB) on July 18, 2013. The primary stakeholders for this assessment were the NASA and LM MPCV Program offices. Additional benefactors are commercial launch providers developing CM concepts.

  3. Spectral, magnetic, biocidal screening, DNA binding and photocleavage studies of mononuclear Cu(II) and Zn(II) metal complexes of tricoordinate heterocyclic Schiff base ligands of pyrazolone and semicarbazide/thiosemicarbazide based derivatives

    NASA Astrophysics Data System (ADS)

    Raman, N.; Selvan, A.; Manisankar, P.

    2010-07-01

    We depict the synthesis and characterization of copper(II) and zinc(II) coordination compounds of 4-(3',4'-dimethoxybenzaldehydene)2-3-dimethyl-1-phenyl-3-pyrazolin-5-semicarbazone ( 1a), 4-(3',4'-dimethoxybenzaldehydene)2-3-dimethyl-1-phenyl-3-pyrazolin-5-thiosemicarbazone ( 1b), 4-(3'-hydroxy-4'-nitrobenzaldehydene)2-3-dimeth yl-1-phenyl-3-pyrazolin-5-semicarbazone ( 1c) and 4-(3'-hydroxy-4'-nitrobenzal dehydene)2-3-dimethyl-1-phenyl-3-pyrazolin-5-thiosemicarbazone ( 1d). All the remote compounds have the general composition [ML 2] (M = Cu(II) and Zn(II)); L = Schiff base ( 1a- 1d). All the complexes were characterized by elemental analysis, molar conductivity, IR, 1H NMR, UV-vis, ESI-Mass, magnetic susceptibility measurements, cyclic voltammetric measurements, and EPR spectral studies. It has been originated that the Schiff bases with Cu(II) and Zn(II) ions form mononuclear complexes on 1:2 (metal:ligand) stoichiometry. Distorted octahedral environment is suggested for the metal complexes. The conductivity data confirm the non-electrolytic nature of the complexes. The interaction of CuL 21a- 1d complexes with CT DNA was investigated by spectroscopic, electrochemical and viscosity measurements. Results suggest that the copper complexes bind to DNA via an intercalative mode. Moreover, the complexes have been found to promote the photocleavage of plasmid DNA pBR322 under irradiation at 365 nm. The Schiff bases and their metal complexes were screened for their antifungal and antibacterial activities against different species of pathogenic fungi and bacteria and their biopotency has been discussed.

  4. Demonstration of a high-field short-period superconducting helical undulator suitable for future TeV-scale linear collider positron sources.

    PubMed

    Scott, D J; Clarke, J A; Baynham, D E; Bayliss, V; Bradshaw, T; Burton, G; Brummitt, A; Carr, S; Lintern, A; Rochford, J; Taylor, O; Ivanyushenkov, Y

    2011-10-21

    The first demonstration of a full-scale working undulator module suitable for future TeV-scale positron-electron linear collider positron sources is presented. Generating sufficient positrons is an important challenge for these colliders, and using polarized e(+) would enhance the machine's capabilities. In an undulator-based source polarized positrons are generated in a metallic target via pair production initiated by circularly polarized photons produced in a helical undulator. We show how the undulator design is developed by considering impedance effects on the electron beam, modeling and constructing short prototypes before the successful fabrication, and testing of a final module.

  5. Communication: Photoactivation of nucleobase bound platinum{sup II} metal complexes: Probing the influence of the nucleobase

    SciTech Connect

    Sen, Ananya; Dessent, Caroline E. H.

    2014-12-28

    We present UV laser action spectra (220-300 nm) of isolated nucleobase-bound Pt{sup II}(CN){sub 4}{sup 2−} complexes, i.e., Pt(CN){sub 4}{sup 2−}⋅M, where M = uracil, thymine, cytosine, and adenine. These metal complex-nucleobase clusters represent model systems for identifying the fundamental photophysical and photochemical processes occurring in photodynamic platinum (II) drug therapies that target DNA. This is the first study to explore the specific role of the nucleobase in the photophysics of the aggregate complex. Each of the complexes studied displays a broadly similar absorption spectra, with a strong λ{sub max} ∼ 4.7 eV absorption band (nucleobase localized chromophore) and a subsequent increase in the absorption intensity towards higher spectral-energy (Pt(CN){sub 4}{sup 2−} localized chromophore). However, strikingly different band widths are observed across the series of complexes, decreasing in the order Pt(CN){sub 4}{sup 2−}⋅Thymine > Pt(CN){sub 4}{sup 2−}⋅Uracil > Pt(CN){sub 4}{sup 2−}⋅Adenine > Pt(CN){sub 4}{sup 2−}⋅Cytosine. Changes in the bandwidth of the ∼4.7 eV band are accompanied by distinctive changes in the photofragment product ions observed following photoexcitation, with the narrower-bandwidth complexes showing a greater propensity to decay via electron detachment decay. We discuss these observations in the context of the distinctive nucleobase-dependent excited state lifetimes.

  6. Application of mechanosynthesized azine-decorated zinc(II) metal-organic frameworks for highly efficient removal and extraction of some heavy-metal ions from aqueous samples: a comparative study.

    PubMed

    Tahmasebi, Elham; Masoomi, Mohammad Yaser; Yamini, Yadollah; Morsali, Ali

    2015-01-20

    The three zinc(II) metal-organic frameworks [Zn2(oba)2(4-bpdb)]·(DMF)x (TMU-4), [Zn(oba)(4-bpdh)0.5]n·(DMF)y (TMU-5), and [Zn(oba)(4-bpmb)0.5]n·(DMF)z (TMU-6) [DMF = dimethylformamide, H2oba = 4,4'-oxybisbenzoic acid, 4-bpdb = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene, 4-bpdh = 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene, and 4-bpmb = N(1),N(4)-bis((pyridin-4-yl)methylene)benzene-1,4-diamine], which contain azine-functionalized pores, have been successfully synthesized by mechanosynthesis as a convenient, rapid, low-cost, solventless, and green process. These MOFs were studied for the removal and extraction of some heavy-metal ions from aqueous samples, and the effects of the basicity and void space of these MOFs on adsorption efficiency were evaluated. The results showed that, for trace amounts of metal ions, the basicity of the N-donor ligands in the MOFs determines the adsorption efficiency of the MOFs for the metal ions. In contrast, at high concentrations of metal ions, the void space of the MOFs plays a main role in the adsorption process. The studies conducted revealed that, among the three MOFs, TMU-6 had a lower adsorption efficiency for metal ions than the other two MOFs. This result can be attributed to the greater basicity of the azine groups on the TMU-4 and TMU-5 pore walls as compared to the imine groups on the N-donor ligands on the TMU-6 pore walls. Subsequently, TMU-5 was chosen as an efficient sorbent for the extraction and preconcentration of trace amounts of some heavy-metal ions including Cd(II), Co(II), Cr(III), Cu(II), and Pb(II), followed by their determination by flow injection inductively coupled plasma optical emission spectrometry. Several variables affecting the extraction efficiency of the analytes were investigated and optimized. The optimized methodology exhibits a good linearity between 0.05 and 100 μg L(-1) (R(2) > 0.9935) and detection limits in the range of 0.01-1.0 μg L(-1). The method has enhancement factors between 42

  7. LSQ13fn: A type II-Plateau supernova with a possibly low metallicity progenitor that breaks the standardised candle relation

    NASA Astrophysics Data System (ADS)

    Polshaw, J.; Kotak, R.; Dessart, L.; Fraser, M.; Gal-Yam, A.; Inserra, C.; Sim, S. A.; Smartt, S. J.; Sollerman, J.; Baltay, C.; Rabinowitz, D.; Benetti, S.; Botticella, M. T.; Campbell, H.; Chen, T.-W.; Galbany, L.; McKinnon, R.; Nicholl, M.; Smith, K. W.; Sullivan, M.; Takáts, K.; Valenti, S.; Young, D. R.

    2016-04-01

    We present optical imaging and spectroscopy of supernova (SN) LSQ13fn, a type II supernova with several hitherto-unseen properties. Although it initially showed strong symmetric spectral emission features attributable to He ii, N iii, and C iii, reminiscent of some interacting SNe, it transitioned into an object that would fall more naturally under a type II-Plateau (IIP) classification. However, its spectral evolution revealed several unusual properties: metal lines appeared later than expected, were weak, and some species were conspicuous by their absence. Furthermore, the line velocities were found to be lower than expected given the plateau brightness, breaking the SN IIP standardised candle method for distance estimates. We found that, in combination with a short phase of early-time ejecta-circumstellar material interaction, metal-poor ejecta, and a large progenitor radius could reasonably account for the observed behaviour. Comparisons with synthetic model spectra of SNe IIP of a given progenitor mass would imply a progenitor star metallicity as low as 0.1 Z⊙. LSQ13fn highlights the diversity of SNe II and the many competing physical effects that come into play towards the final stages of massive star evolution immediately preceding core-collapse. The reduced spectra are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/588/A1

  8. Versatile Tailoring of Paddle-Wheel Zn(II) Metal-Organic Frameworks through Single-Crystal-to-Single-Crystal Transformations.

    PubMed

    Pal, Tapan K; Neogi, Subhadip; Bharadwaj, Parimal K

    2015-11-01

    A new tetracarboxylate ligand having short and long arms formed 2D layer Zn(II) coordination polymer 1 with paddle-wheel secondary building units under solvothermal conditions. The framework undergoes solvent-specific single crystal-to-single crystal (SC-SC) transmetalation to produce 1Cu . With a sterically encumbered dipyridyl linker, the same ligand forms non-interpenetrated, 3D, pillared-layer Zn(II) metal-organic framework (MOF) 2, which takes part in SC-SC linker-exchange reactions to produce three daughter frameworks. The parent MOF 2 shows preferential incorporation of the longest linker in competitive linker-exchange experiments. All the 3D MOFs undergo complete SC-SC transmetalation with Cu(II) , whereby metal exchange in different solvents and monitoring of X-ray structures revealed that bulky solvated metal ions lead to ordering of the shortest linker in the framework, which confirms that the solvated metal ions enter through the pores along the linker axis.

  9. Optical and electrochemical characteristics of ethylenediamine complexes of Pt(II) and Ir(III) with metalated 2-phenyl- and 2-naphthylbenzothiazole

    NASA Astrophysics Data System (ADS)

    Katlenok, E. A.; Balashev, K. P.

    2016-05-01

    The cyclometalated complexes [Pt(C^N)En]PF6 and [Ir(C^N)2En]PF6 ((C^N)- are deprotonated forms of 2-phenylbenzothiazole or 2-naphthylbenzothiazole and En is ethylenediamine) are studied by 1H NMR, IR, electronic absorption, and emission spectroscopy, as well as by voltammetry. Metalation of heterocyclic ligands leads to the formation of five-membered {M(C^N)} cycles in the composition of squareplanar Pt(II) complexes and octahedral Ir(III) complexes of the cis-C,C structure. A bathochromic shift of the metal-to-cyclometalated ligand charge transfer bands and a decrease in the potential difference between the single-electron waves of metal-centered oxidation and ligand-centered reduction of complexes upon substitution of 2-phenylbenzothiazole by 2-naphthylbenzothiazole and of Pt(II) by Ir(II) are shown. The phosphorescence of complexes in the visible region is assigned to the radiative transition from the metal-modified intraligand electronic excited state.

  10. Magnetic structure and dynamics of a strongly one-dimensional cobaltII metal-organic framework

    NASA Astrophysics Data System (ADS)

    Sibille, Romain; Lhotel, Elsa; Mazet, Thomas; Malaman, Bernard; Ritter, Clemens; Ban, Voraksmy; François, Michel

    2014-03-01

    We investigate the magnetism of the CoII4(OH)2(C10H16O4)3 metal-organic framework, which displays complex inorganic chains separated from each other by distances of 1 to 2 nm and orders at 5.4 K. The zero-field magnetic structure is determined using neutron powder diffraction: it is mainly antiferromagnetic but possesses a ferromagnetic component along the c axis. This magnetic structure persists in presence of a magnetic field. Alternating current susceptibility measurements confirm the existence of a single thermally activated regime over seven decades in frequency (E /kB≈64 K), whereas time-dependent relaxation of the magnetization after saturation in an external field leads to a two times smaller energy barrier. These experiments probe the slow dynamics of domain walls within the chains: we propose that the ac measurements are sensitive to the motion of existing domain walls within the chains, while the magnetization measurements are governed by the creation of domain walls.

  11. Role of the crystal field stabilization energy in the formation of metal(II) formate mixed crystals

    NASA Astrophysics Data System (ADS)

    Balarew, Christo; Stoilova, Donka; Vassileva, Violeta

    A relationship between the distribution coefficient values and the factors determining the isomorphous substitution of some metal(II) formates (Mg, Mn, Fe, Co, Ni, Cu, Zn, Cd) has been found, given by D=[exp⁡{aṡf[ΔR/R]+bṡϕ(Δɛ)+cṡψ(Δs)}/{RT}, where Δ R/R is the relative difference in the ionic radii of the intersubstituting ions, Δɛ is the difference in the Me sbnd O bond energy, Δ s is the difference in the crystal field stabilization energy. The pre-exponential term represents the balance in bonding factors between the ions in the crystal and in the aqueous solution, in the case of ideally mixing in the solid state. The exponential term takes into account the enthalpy of mixing in the solid state. For the isostructural formate salts in which the substitution of a given cation by another one occurs in equivalent octahedral positions, the difference in the crystal field stabilization energy exerts the most important influence on the enthalpy of mixing.

  12. Electron and Positron Stopping Powers of Materials

    National Institute of Standards and Technology Data Gateway

    SRD 7 NIST Electron and Positron Stopping Powers of Materials (PC database for purchase)   The EPSTAR database provides rapid calculations of stopping powers (collisional, radiative, and total), CSDA ranges, radiation yields and density effect corrections for incident electrons or positrons with kinetic energies from 1 keV to 10 GeV, and for any chemically defined target material.

  13. Positron Emission Mammotomography with Dual Planar Detectors

    SciTech Connect

    Mark Smith; Raymond Raylman; Stanislaw Majewski

    2003-06-29

    Positron emission mammography (PEM) is usually performed with two stationary planar detectors above and below a compressed breast. There is image blurring normal to the detectors due to the limited angular range of the lines of response. Positron emission mammotomography (PEM-T) with dual planar detectors rotating about the breast can obtain complete angular sampling and has the potential to improve activity estimation.

  14. 21 CFR 892.1110 - Positron camera.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 8 2013-04-01 2013-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

  15. 21 CFR 892.1110 - Positron camera.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 8 2012-04-01 2012-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

  16. 21 CFR 892.1110 - Positron camera.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 8 2014-04-01 2014-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL DEVICES RADIOLOGY DEVICES Diagnostic Devices § 892.1110 Positron camera. (a) Identification. A...

  17. Positronic complexes with unnatural parity

    SciTech Connect

    Bromley, M. W. J.; Mitroy, J.; Varga, K.

    2007-06-15

    The structure of the unnatural parity states of PsH, LiPs, NaPs, and KPs are investigated with the configuration interaction and stochastic variational methods. The binding energies (in hartree) are found to be 8.17x10{sup -4}, 4.42x10{sup -4}, 15.14x10{sup -4}, and 21.80x10{sup -4}, respectively. These states are constructed by first coupling the two electrons into a configuration which is predominantly {sup 3}P{sup e}, and then adding a p-wave positron. All the active particles are in states in which the relative angular momentum between any pair of particles is at least L=1. The LiPs state is Borromean since there are no three-body bound subsystems (of the correct symmetry) of the (Li{sup +}, e{sup -}, e{sup -}, e{sup +}) particles that make up the system. The dominant decay mode of these states will be radiative decay into a configuration that autoionizes or undergoes positron annihilation.

  18. Low-temperature CVD of iron, cobalt, and nickel nitride thin films from bis[di(tert-butyl)amido]metal(II) precursors and ammonia

    SciTech Connect

    Cloud, Andrew N.; Abelson, John R.; Davis, Luke M.; Girolami, Gregory S.

    2014-03-15

    Thin films of late transition metal nitrides (where the metal is iron, cobalt, or nickel) are grown by low-pressure metalorganic chemical vapor deposition from bis[di(tert-butyl)amido]metal(II) precursors and ammonia. These metal nitrides are known to have useful mechanical and magnetic properties, but there are few thin film growth techniques to produce them based on a single precursor family. The authors report the deposition of metal nitride thin films below 300 °C from three recently synthesized M[N(t-Bu){sub 2}]{sub 2} precursors, where M = Fe, Co, and Ni, with growth onset as low as room temperature. Metal-rich phases are obtained with constant nitrogen content from growth onset to 200 °C over a range of feedstock partial pressures. Carbon contamination in the films is minimal for iron and cobalt nitride, but similar to the nitrogen concentration for nickel nitride. X-ray photoelectron spectroscopy indicates that the incorporated nitrogen is present as metal nitride, even for films grown at the reaction onset temperature. Deposition rates of up to 18 nm/min are observed. The film morphologies, growth rates, and compositions are consistent with a gas-phase transamination reaction that produces precursor species with high sticking coefficients and low surface mobilities.

  19. Controlled Fabrication of Silk Protein Sericin Mediated Hierarchical Hybrid Flowers and Their Excellent Adsorption Capability of Heavy Metal Ions of Pb(II), Cd(II) and Hg(II).

    PubMed

    Koley, Pradyot; Sakurai, Makoto; Aono, Masakazu

    2016-01-27

    Fabrication of protein-inorganic hybrid materials of innumerable hierarchical patterns plays a major role in the development of multifunctional advanced materials with their improved features in synergistic way. However, effective fabrication and applications of the hybrid structures is limited due to the difficulty in control and production cost. Here, we report the controlled fabrication of complex hybrid flowers with hierarchical porosity through a green and facile coprecipitation method by using industrial waste natural silk protein sericin. The large surface areas and porosity of the microsize hybrid flowers enable water purification through adsorption of different heavy metal ions. The high adsorption capacity depends on their morphology, which is changed largely by sericin concentration in their fabrication. Superior adsorption and greater selectivity of the Pb(II) ions have been confirmed by the characteristic growth of needle-shaped nanowires on the hierarchical surface of the hybrid flowers. These hybrid flowers show excellent thermal stability even after complete evaporation of the protein molecules, significantly increasing the porosity of the flower petals. A simple, cost-effective and environmental friendly fabrication method of the porous flowers will lead to a new solution to water pollution required in the modern industrial society. PMID:26736132

  20. Controlled Fabrication of Silk Protein Sericin Mediated Hierarchical Hybrid Flowers and Their Excellent Adsorption Capability of Heavy Metal Ions of Pb(II), Cd(II) and Hg(II).

    PubMed

    Koley, Pradyot; Sakurai, Makoto; Aono, Masakazu

    2016-01-27

    Fabrication of protein-inorganic hybrid materials of innumerable hierarchical patterns plays a major role in the development of multifunctional advanced materials with their improved features in synergistic way. However, effective fabrication and applications of the hybrid structures is limited due to the difficulty in control and production cost. Here, we report the controlled fabrication of complex hybrid flowers with hierarchical porosity through a green and facile coprecipitation method by using industrial waste natural silk protein sericin. The large surface areas and porosity of the microsize hybrid flowers enable water purification through adsorption of different heavy metal ions. The high adsorption capacity depends on their morphology, which is changed largely by sericin concentration in their fabrication. Superior adsorption and greater selectivity of the Pb(II) ions have been confirmed by the characteristic growth of needle-shaped nanowires on the hierarchical surface of the hybrid flowers. These hybrid flowers show excellent thermal stability even after complete evaporation of the protein molecules, significantly increasing the porosity of the flower petals. A simple, cost-effective and environmental friendly fabrication method of the porous flowers will lead to a new solution to water pollution required in the modern industrial society.

  1. Non-bonding interactions and non-covalent delocalization effects play a critical role in the relative stability of group 12 complexes arising from interaction of diethanoldithiocarbamate with the cations of transition metals Zn(II), Cd(II), and Hg(II): a theoretical study.

    PubMed

    Bahrami, Homayoon; Farhadi, Saeed; Siadatnasab, Firouzeh

    2016-07-01

    The chelating properties of diethanoldithiocarbamate (DEDC) and π-electron flow from the nitrogen atom to the sulfur atom via a plane-delocalized π-orbital system (quasi ring) was studied using a density functional theory method. The molecular structure of DEDC and its complexes with Zn(II), Cd(II), and Hg(II) were also considered. First, the geometries of this ligand and DEDC-Zn(II), DEDC-Cd(II), and DEDC-Hg(II) were optimized, and the formation energies of these complexes were then calculated based on the electronic energy, or sum of electronic energies, with the zero point energy of each species. Formation energies indicated the DEDC-Zn(II) complex as the most stable complex, and DEDC-Cd(II) as the least stable. Structural data showed that the N1-C2 π-bond was localized in the complexes rather than the ligand, and a delocalized π-bond over S7-C2-S8 was also present. The stability of DEDC-Zn(II), DEDC-Cd(II), and DEDC-Hg(II) complexes increased in the presence of the non-specific effects of the solvent (PCM model), and their relative stability did not change. There was π-electron flow or resonance along N1-C2-S7 and along S7-C2-S8 in the ligand. The π-electron flow or resonance along N1-C2-S7 was abolished when the metal interacted with sulfur atoms. Energy belonging to van der Waals interactions and non-covalent delocalization effects between the metal and sulfur atoms of the ligand was calculated for each complex. The results of nucleus-independent chemical shift (NICS) indicated a decreasing trend as Zn(II) < Cd(II) < Hg(II) for the aromaticity of the quasi-rings. Finally, by ignoring van der Waals interactions and non-covalent delocalization effects between the metal and sulfur atoms of the ligand, the relative stability of the complexes was changed as follows:[Formula: see text] Graphical Abstract Huge electronic cloud localized on Hg(II) in the Hg(II)-DEDC complex. PMID:27299888

  2. Non-bonding interactions and non-covalent delocalization effects play a critical role in the relative stability of group 12 complexes arising from interaction of diethanoldithiocarbamate with the cations of transition metals Zn(II), Cd(II), and Hg(II): a theoretical study.

    PubMed

    Bahrami, Homayoon; Farhadi, Saeed; Siadatnasab, Firouzeh

    2016-07-01

    The chelating properties of diethanoldithiocarbamate (DEDC) and π-electron flow from the nitrogen atom to the sulfur atom via a plane-delocalized π-orbital system (quasi ring) was studied using a density functional theory method. The molecular structure of DEDC and its complexes with Zn(II), Cd(II), and Hg(II) were also considered. First, the geometries of this ligand and DEDC-Zn(II), DEDC-Cd(II), and DEDC-Hg(II) were optimized, and the formation energies of these complexes were then calculated based on the electronic energy, or sum of electronic energies, with the zero point energy of each species. Formation energies indicated the DEDC-Zn(II) complex as the most stable complex, and DEDC-Cd(II) as the least stable. Structural data showed that the N1-C2 π-bond was localized in the complexes rather than the ligand, and a delocalized π-bond over S7-C2-S8 was also present. The stability of DEDC-Zn(II), DEDC-Cd(II), and DEDC-Hg(II) complexes increased in the presence of the non-specific effects of the solvent (PCM model), and their relative stability did not change. There was π-electron flow or resonance along N1-C2-S7 and along S7-C2-S8 in the ligand. The π-electron flow or resonance along N1-C2-S7 was abolished when the metal interacted with sulfur atoms. Energy belonging to van der Waals interactions and non-covalent delocalization effects between the metal and sulfur atoms of the ligand was calculated for each complex. The results of nucleus-independent chemical shift (NICS) indicated a decreasing trend as Zn(II) < Cd(II) < Hg(II) for the aromaticity of the quasi-rings. Finally, by ignoring van der Waals interactions and non-covalent delocalization effects between the metal and sulfur atoms of the ligand, the relative stability of the complexes was changed as follows:[Formula: see text] Graphical Abstract Huge electronic cloud localized on Hg(II) in the Hg(II)-DEDC complex.

  3. Synthesis, crystal structures and luminescent properties of zinc(II) metal-organic frameworks constructed from terpyridyl derivative ligand

    NASA Astrophysics Data System (ADS)

    Yang, Xiao-Le; Shangguan, Yi-Qing; Hu, Huai-Ming; Xu, Bing; Wang, Bao-Cheng; Xie, Juan; Yuan, Fei; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin

    2014-08-01

    Five zinc(II) metal-organic frameworks, [Zn3(344-pytpy)2Cl6]n·n(H2O) (1), [Zn(344-pytpy)(ox)]n (2), [Zn2(344-pytpy)(bdc)2]n·1.5n(H2O) (3), [Zn2(344-pytpy)2 (sfdb)2]n·1.5n(H2O) (4) and [Zn3(344-pytpy)2(btc)2]n·2n(H2O) (5), (344-pytpy=4‧-(3-pyridyl)-4,2‧:6‧,4″-terpyridine, H2ox=oxalic acid, H2bdc=1,4-benzenedi-carboxylic acid, H2sfdb=4,4‧-sulfonyldibenzoic acid and H3btc=1,3,5-benzene-tricarboxylic acid) have been prepared by hydrothermal reactions. Compound 1 is a 1D chain structure, in which 344-pytpy ligand links three ZnII centers through three of terminal N-donors. Compound 2 is a 4-connected 3D framework with the dia topological net and the Schläfli symbol of 66. Compound 3 displays a unusual 3-fold interpenetrating 3D coordination network which exhibits a new intriguing (3,3,4)-connected topological net with the Schläfli symbol of (4.82)(4.85)(83). Compound 4 features a two-fold interpenetrating 4-connected 2D framework with the sql topological net and the Schläfli symbol of (44.62). Compound 5 is a new self-interpenetrating (3,3,4,4)-connected topological net with the Schläfli symbol of (6.82)2(62.82.10.12)(62.83.10)2(62.8)2. The luminescence properties of 1-5 have been investigated by emission spectra and they possess great thermal stabilities which can be stable up to around 400 °C.

  4. PEP-II Status

    SciTech Connect

    Sullivan, M.; Bertsche, K.; Browne, M.; Cai, Y.; Cheng, W.; Colocho, W.; Decker, F.-J.; Donald, M.; Ecklund, S.; Erickson, R.; Fisher, A.S.; Fox, J.; Heifets, S.; Himel, T.; Iverson, R.; Kulikov, A.; Novokhatski, A.; Pacak, V.; Pivi, M.; Rivetta, C.; Ross, M.; /SLAC /Saclay /Frascati

    2008-07-25

    PEP-II and BaBar have just finished run 7, the last run of the SLAC B-factory. PEP-II was one of the few high-current e+e- colliding accelerators and holds the present world record for stored electrons and stored positrons. It has stored 2.07 A of electrons, nearly 3 times the design current of 0.75 A and it has stored 3.21 A of positrons, 1.5 times more than the design current of 2.14 A. High-current beams require careful design of several systems. The feedback systems that control instabilities, the RF system stability loops, and especially the vacuum systems have to handle the higher power demands. We present here some of the accomplishments of the PEP-II accelerator and some of the problems we encountered while running high-current beams.

  5. Models of Metal-poor Stars with Gravitational Settling and Radiative Accelerations. II. The Age of the Oldest Stars

    NASA Astrophysics Data System (ADS)

    VandenBerg, Don A.; Richard, O.; Michaud, G.; Richer, J.

    2002-05-01

    Isochrones for ages between 12 and 18 Gyr have been derived from the evolutionary tracks presented in Paper I (Richard et al.) for masses from 0.5 to 1.0 Msolar and initial chemical abundances corresponding to (1) Y=0.2352, Z=1.69×10-4 ([Fe/H]=-2.31,[α/Fe]=0.3) and (2) Y=0.2370, Z=1.69×10-3 ([Fe/H=-1.31,[α/Fe]=0.3). These are the first models for Population II stars in which both gravitational settling and radiative accelerations have been taken into account. Allowance for these diffusive processes leads to a 10%-12% reduction in age at a given turnoff luminosity. However, in order for the diffusive models to satisfy the constraints from Li and Fe abundance data (see Paper I) and to reproduce the observed morphologies of globular cluster (GC) color-magnitude diagrams (CMDs) in a straightforward way, extra mixing just below the boundary of the convective envelope seems to be necessary. Indeed, when additional turbulent mixing is invoked, the resultant models are able to satisfy all of these constraints, as well as those provided by the CMDs of local subdwarfs, rather well. Moreover, they imply an age near 13.5 Gyr for M92, which is one of the most metal-deficient (and presumably one of the oldest) of the Galaxy's GCs, if the field subgiant HD 140283 is used to derive the cluster distance. Comparisons of field subdwarfs and subgiants with a recently published fiducial for M5 suggests that the cluster has [Fe/H]<~-1.4, in conflict with some estimates based on high-resolution spectroscopy, if the metallicities of the field stars are to be trusted. In addition, an age of ~11.5 Gyr is found for M5, irrespective of whether diffusive or nondiffusive isochrones are employed in the analysis. The implications of our results for the extragalactic distance scale and for the Hubble constant are briefly discussed in the context of the presently favored ΩM~0.35, ΩΛ~0.65 cosmological model.

  6. Understanding of the low temperature auto-oxidation scheme of sec-alcohols based on a Cu(II)-MOF with open metal sites.

    PubMed

    Ma, Jian-Ping; Zhao, Chao-Wei; Wang, Shen-Qing; Zhang, Jin-Ping; Niu, Xue; Dong, Yu-Bin

    2015-10-01

    A Cu(II)-MOF (1') with open metal sites was readily obtained by removing the coordinated water molecule at 120 °C. It can be used as a probe to evidence the sec-alkyl hydroperoxide species generated from room temperature sec-alcohol auto-oxidation in air. The formed alkyl hydroperoxides can be effectively catalyzed by 1' to decompose into molecular oxygen and corresponding sec-alcohols under ambient conditions.

  7. Metal complexes derived from hydrazoneoxime ligands: V. Spectral and structural studies on diacetylmonoxime n-alkanoylhydrazones and their nickel(II) and copper(II) complexes.

    PubMed

    Salem, Nahed M H; El Sayed, Laila; Haase, Wolfgang; Iskander, Magdi F

    2015-01-01

    A series of diacetylmonoxime n-alkanoylhydrazones (H₂L(n), n=4, 5, 6, 12 and 16) were prepared by the condensation of diacetylmonoxime with the corresponding n-alkanoylhydrazine in ethanol. The X-ray crystal structure of diacetylmonoxime octadecanoyl hydrazone has been solved and its molecular and supramolecular structures have been discussed. Both neutral dinuclear Cu(II) and Ni(II) complexes, [{M(L(n))}₂] (M=Cu, Ni and n=4, 5, 6, 12 and 16) as well as cationic dinuclear Cu(II) complexes, [Cu₂(L(n))(HL(n))]NO₃ (n=12 and 16) have been also prepared and characterized by elemental analyses, FD- and ESI-mass spectra as well as IR, UV-Vis, (1)H NMR, (13)C NMR spectra. Variable temperature magnetic susceptibility measurements for dinuclear Cu(II) complexes have been also discussed.

  8. Metal complexes derived from hydrazoneoxime ligands: V. Spectral and structural studies on diacetylmonoxime n-alkanoylhydrazones and their nickel(II) and copper(II) complexes

    NASA Astrophysics Data System (ADS)

    Salem, Nahed M. H.; El Sayed, Laila; Haase, Wolfgang; Iskander, Magdi F.

    2015-01-01

    A series of diacetylmonoxime n-alkanoylhydrazones (H2Ln, n = 4, 5, 6, 12 and 16) were prepared by the condensation of diacetylmonoxime with the corresponding n-alkanoylhydrazine in ethanol. The X-ray crystal structure of diacetylmonoxime octadecanoyl hydrazone has been solved and its molecular and supramolecular structures have been discussed. Both neutral dinuclear Cu(II) and Ni(II) complexes, [{M(Ln)}2] (M = Cu, Ni and n = 4, 5, 6, 12 and 16) as well as cationic dinuclear Cu(II) complexes, [Cu2(Ln)(HLn)]NO3 (n = 12 and 16) have been also prepared and characterized by elemental analyses, FD- and ESI-mass spectra as well as IR, UV-Vis, 1H NMR, 13C NMR spectra. Variable temperature magnetic susceptibility measurements for dinuclear Cu(II) complexes have been also discussed.

  9. Zinc site redesign in T4 gene 32 protein: structure and stability of cobalt(II) complexes formed by wild-type and metal ligand substitution mutants.

    PubMed

    Guo, J; Giedroc, D P

    1997-01-28

    Phage T4 gene 32 protein (gp32) is a zinc metalloprotein which binds cooperatively and preferentially to single-stranded nucleic acids and functions as a replication and recombination accessory protein. Zn(II) coordination by gp32 employs a His-Cys3 metal ligand donor set derived from the His64-X12-Cys77-X9-Cys87-X2-Cys90 sequence in the ssDNA-binding core domain of the molecule. Crystallographic studies reveal that His64 and Cys77 are derived from two independent beta-strands within a distorted three-stranded beta-sheet and are relatively more buried from solvent than are Cys87 and Cys90, which are positioned immediately before and within, respectively, an alpha-helix. In an effort to understand the origin of the stability of the metal complex, we have employed an anaerobic optical spectroscopic, competitive metal binding assay to determine the coordination geometry and association constants (Ka) for the binding of Co(II) to wild-type gp32 and a series of zinc ligand substitution mutants. At pH 7.5, 25 degrees C, wild-type gp32 binds Co(II) with a Ka approximately 1 x 10(9) M-1. Competition experiments reveal that Ka for Zn(II) is 3.0 (+/-1.0) x 10(11) M-1. We find that all non-native metal complexes retain tetrahedral or distorted tetrahedral coordination geometry but are greatly destabilized in a manner essentially of whether a new protein-derived coordination bond is formed (e.g., in H64C gp32) or not. Co(II) binding isotherms obtained for three His64 substitution mutants, H64C, H64D, and H64N gp32s, suggest that each mutant forms a dimeric Cys4 tetrathiolate intermediate complex at limiting [Co(II)]f, each then rearranges at high [Co(II)]f to form a monomolecular site of the expected geometry and Ka approximately 1 x 10(4) M-1. Like the His64 mutants, C77A gp32 appears to form at least two types of complexes over the course of a Co(II) titration: one with octahedral coordination geometry formed at low [Co(II)]f, with a second tetrahedral or five

  10. Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(II).

    PubMed

    Das, Atanu K; Engelhard, Mark H; Lense, Sheri; Roberts, John A S; Bullock, R Morris

    2015-07-21

    Covalent tethering of P(Ph)2N(C6H4C≡CH)2 ligands (P(Ph)2N(C6H4C≡CH)2 = 1,5-di-(4-ethynylphenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) to planar, azide-terminated glassy carbon electrode surfaces has been accomplished using a Cu(I)-catalyzed alkyne-azide cycloaddition (CuAAC) coupling reaction, using a BH3←P protection-deprotection strategy. Deprotected, surface-confined ligands were metallated using [Ni(II)(MeCN)6](BF4)2. X-ray photoelectron spectroscopic measurements demonstrate that metallation introduced 1.3 equivalents Ni(II) per diphosphine onto the electrode surface. Exposure of the surface to a second diphosphine ligand, P(Ph)2N(Ph)2, resulted in the removal of Ni from the surface. Protection, coupling, deprotection, and metallation conditions were optimized using solution-phase model systems, with benzyl azide as a model for the azide-terminated carbon surface; these reactions generate a [Ni(II)(diphosphine)2](2+) complex. PMID:25811536

  11. Positron extraction and transport in a nuclear-reactor-based positron beam

    NASA Astrophysics Data System (ADS)

    van Veen, A.; Schut, H.; Labohm, F.; de Roode, J.

    1999-05-01

    This paper describes the design of a positron beam which is primarily based on positron generation by pair formation near the core of a nuclear reactor. Several configurations of the positron source have been tested. All rely on large emitting surface areas: ranging from 1000 to 2000 cm 2. For efficient extraction of the emitted positrons the positron emitting foils are arranged into 3-4 disks which are composed of cylinders with a 6-9 mm diameter and lengths from 10 to 40 mm. The electrical potential between adjacent disks could be varied up to 50 V so that a field gradient was present to carry the positrons through the cylinders. All source tests unexpectedly indicated a high reflectivity of moderated positrons at the tungsten surfaces of the moderation disks. A substantial number of positrons is emitted even without electrical field. A model including the effects of positron reflection and electrical field extraction explains the experimental results reasonably well. At 2 MW reactor power positrons were observed with an intensity of 0.7×10 8 e + s -1 in a 10 mm beam spot.

  12. Visible and dark matter genesis and cosmic positron and electron excesses

    SciTech Connect

    Gu Peihong; Sarkar, Utpal; Zhang Xinmin

    2009-10-01

    Dark and baryonic matter contribute comparable energy density to the present universe. The dark matter may also be responsible for the cosmic positron and electron excesses. We connect these phenomena with the Dirac seesaw for neutrino masses. In our model (i) the dark matter relic density is a dark matter asymmetry generated simultaneously with the baryon asymmetry so that we can naturally understand the coincidence between the dark and baryonic matter and (ii) the dark matter mostly decays into the leptons so that its decay can interpret the anomalous cosmic rays with positron and electron excesses.

  13. Positron emission tomography wrist detector

    DOEpatents

    Schlyer, David J.; O'Connor, Paul; Woody, Craig; Junnarkar, Sachin Shrirang; Radeka, Veljko; Vaska, Paul; Pratte, Jean-Francois

    2006-08-15

    A method of serially transferring annihilation information in a compact positron emission tomography (PET) scanner includes generating a time signal representing a time-of-occurrence of an annihilation event, generating an address signal representing a channel detecting the annihilation event, and generating a channel signal including the time and address signals. The method also includes generating a composite signal including the channel signal and another similarly generated channel signal concerning another annihilation event. An apparatus that serially transfers annihilation information includes a time signal generator, address signal generator, channel signal generator, and composite signal generator. The time signal is asynchronous and the address signal is synchronous to a clock signal. A PET scanner includes a scintillation array, detection array, front-end array, and a serial encoder. The serial encoders include the time signal generator, address signal generator, channel signal generator, and composite signal generator.

  14. Positron emission tomography: An overview

    PubMed Central

    Shukla, A. K.; Kumar, Utham

    2006-01-01

    The rate of glucose utilization in tumor cells is significantly enhanced as compared to normal cells and this biochemical characteristic is utilized in PET imaging using FDG as a major workhorse. The PET systems as well as cyclotrons producing positron emitting radiopharmaceuticals have undergone continuous technological refinements. While PET (CT) systems enable fusion images as well as precise attenuation correction, the self-shielded cyclotrons developed provide dedicated systems for in-house production of a large number of PET radiopharmaceuticals. The application of PET images in oncology includes those of pulmonary, colorectal, breast, lymphoma, head & neck, bone, ovarian and GI cancers. The PET has been recognized as promising diagnostic tool to predict biological and physiological changes at the molecular level and hence offer a potential area for future applications including Stem Cell research. PMID:21206635

  15. THE DISCOVERY OF A LARGE Ly{alpha}+He II NEBULA AT z {approx} 1.67: A CANDIDATE LOW METALLICITY REGION?

    SciTech Connect

    Prescott, Moire K. M.; Dey, Arjun; Jannuzi, Buell T. E-mail: dey@noao.edu

    2009-09-01

    We have discovered a {approx}45 kpc Ly{alpha} nebula (or Ly{alpha} 'blob') at z {approx} 1.67 which exhibits strong, spatially extended He II emission and very weak C IV and C III] emission. This is the first spatially extended Ly{alpha}+He II emitter observed and the lowest redshift Ly{alpha} blob yet found. Strong Ly{alpha} and He II{lambda}1640 emission in the absence of metal lines has been proposed as a unique observational signature of primordial galaxy formation (e.g., from gravitational cooling radiation or Population III star formation), but no convincing examples of spatially extended Ly{alpha}+He II emitters have surfaced either in Ly{alpha}-emitting galaxy surveys at high redshifts (z > 4) or in studies of Ly{alpha} nebulae at lower redshifts. From comparisons with photoionization models, we find that the observed line ratios in this nebula are consistent with low metallicity gas (Z {approx}< 10{sup -2}-10{sup -3} Z{sub sun}), but that this conclusion depends on the unknown ionization parameter of the system. The large He II equivalent width ({approx}37 {+-} 10 A) and the large He II/Ly{alpha} ratio (0.12 {+-} 0.04) suggest that the cloud is being illuminated by a hard ionizing continuum, either an active galactic nucleus (AGN) or very low metallicity stars, or perhaps powered by gravitational cooling radiation. Thus far there is no obvious sign of a powerful AGN in or near the system, so in order to power the nebula while remaining hidden from view even in the mid-infrared, the AGN would need to be heavily obscured. Despite the strong Ly{alpha}+He II emission, it is not yet clear what is the dominant power source for this nebula. The system therefore serves as an instructive example of how the complexities of true astrophysical sources will complicate matters when attempting to use a strong Ly{alpha}+He II signature as a unique tracer of primordial galaxy formation.

  16. The PEP-II design

    SciTech Connect

    Sullivan, M.K.

    1995-05-01

    The Stanford Linear Accelerator Center (SLAC), Lawrence Berkeley Laboratory (LBL), Lawrence Livermore National Laboratory (LLNL) Positron Electron Project-II (PEP-II) is a design for a high-luminosity, asymmetric energy, electron-positron colliding beam accelerator that will operate at the center-of-mass energy of the {Upsilon}4S (10.58 GeV). The goal of the design is to achieve a large enough integrated luminosity with a moving center-of-mass reference frame to he able to observe the predicted rare decay modes of the {Upsilon}4S that do not conserve charge parity (CP).

  17. Biological oxidation of Mn(II) coupled with nitrification for removal and recovery of minor metals by downflow hanging sponge reactor.

    PubMed

    Cao, Linh Thi Thuy; Kodera, Hiroya; Abe, Kenichi; Imachi, Hiroyuki; Aoi, Yoshiteru; Kindaichi, Tomonori; Ozaki, Tomonori; Ohashi, Akiyoshi

    2015-01-01

    Biogenic manganese oxides (bio-MnO₂) have been shown to absorb minor metals. Bioreactor cultivation of heterotrophic manganese oxidizing bacteria (MnOB), which produce bio-MnO₂ via oxidation of Mn (II), can be expected to be involved in a promising system for removal and recovery of minor metals from wastewater. However, MnOB enrichment in wastewater treatment is difficult. This study investigated whether MnOB can be cultivated when coupled with nitrification in a system in which soluble microbial products (SMP) from nitrifiers are provided to MnOB as a substrate. A downflow hanging sponge (DHS) reactor was applied for MnOB cultivation with ammonium (NH₄⁺) and Mn (II) continuously supplied. During long-term operation, Mn (II) oxidation was successfully established at a rate of 48 g Mn m⁻³ d⁻¹ and bio-MnO₂ that formed on the sponges were recovered from the bottom of the reactor. The results also revealed that Ni and Co added to the influent were simultaneously removed. Microbial 16S rRNA gene clone analysis identified nitrifiers supporting MnOB growth and showed that only one clone of Bacillus subtilis, which was affiliated with a known MnOB cluster, was present, suggesting the existence of other novel bacteria with the ability to oxidize Mn (II).

  18. Mathematical modeling of cadmium(II) solvent extraction from neutral and acidic chloride media using Cyanex 923 extractant as a metal carrier.

    PubMed

    Leopold, A A; Coll, M T; Fortuny, A; Rathore, N S; Sastre, A M

    2010-10-15

    This paper describes experimental work and the mathematical modeling of solvent extraction of cadmium(II) from neutral and acidic aqueous chloride media with a Cyanex 923 extractant in Exxol D-100. Solvent extraction experiments were carried out to analyze the influence of variations in the composition of the aqueous and organic phases on the efficiency of cadmium(II) extraction. In neutral and acidic chloride conditions, the extraction of cadmium(II) by the organophosphorous extractant Cyanex 923 (L) is based on the solvation mechanism of neutral H(n)CdCl((2+n)) species and the formation of H(n)CdCl((2+n))L(q) complexes in the organic phase, where n=0, 1, 2 and q=1, 2. The mathematical model of cadmium(II) extraction was derived from the mass balances and chemical equilibria involved in the separation system. The model was computed with the Matlab software. The equilibrium parameters for metal extraction, i.e. the stability constants of the aqueous Cd-Cl complexes, the formation constants of the acidic Cd-Cl species and the metal equilibrium extraction constants, were proposed. The optimized constants were appropriate, as there was good agreement when the model was fitted to the experimental data for each of the experiments.

  19. Scintillators for positron emission tomography

    SciTech Connect

    Moses, W.W.; Derenzo, S.E.

    1995-09-01

    Like most applications that utilize scintillators for gamma detection, Positron Emission Tomography (PET) desires materials with high light output, short decay time, and excellent stopping power that are also inexpensive, mechanically rugged, and chemically inert. Realizing that this ``ultimate`` scintillator may not exist, this paper evaluates the relative importance of these qualities and describes their impact on the imaging performance of PET. The most important PET scintillator quality is the ability to absorb 511 keV photons in a small volume, which affects the spatial resolution of the camera. The dominant factor is a short attenuation length ({le} 1.5 cm is required), although a high photoelectric fraction is also important (> 30% is desired). The next most important quality is a short decay time, which affects both the dead time and the coincidence timing resolution. Detection rates for single 511 keV photons can be extremely high, so decay times {le} 500 ns are essential to avoid dead time losses. In addition, positron annihilations are identified by time coincidence so {le}5 ns fwhm coincidence pair timing resolution is required to identify events with narrow coincidence windows, reducing contamination due to accidental coincidences. Current trends in PET cameras are toward septaless, ``fully-3D`` cameras, which have significantly higher count rates than conventional 2-D cameras and so place higher demands on scintillator decay time. Light output affects energy resolution, and thus the ability of the camera to identify and reject events where the initial 511 keV photon has undergone Compton scatter in the patient. The scatter to true event fraction is much higher in fully-3D cameras than in 2-D cameras, so future PET cameras would benefit from scintillators with a 511 keV energy resolution < 10--12% fwhm.

  20. Positron Annihilation Studies of Defects in Silicon

    NASA Astrophysics Data System (ADS)

    Simpson, Peter J.

    Measurements of Doppler-broadening of annihilation radiation from variable-energy positrons have been applied to examine the nature and distribution of defects in ion -irradiated silicon. Positron measurements were supplemented by ion backscattering/channeling to determine displaced atom distributions, and infrared absorption measurements to determine divacancy concentrations. Silicon (100) wafers were irradiated at 300K with helium ions at energies from 0.25 to 4.0 MeV and fluences from 10^{13 } to 10^{16} cm^{-2}, and with silicon ions at energies from 0.5 to 5.0 MeV and fluences from 10^{11} to 10 ^{15} cm^{ -2}. Defect annealing was observed through the divacancy annealing stage (~470 to 570K). He-irradiated silicon was restored toward single crystal quality as measured by both infrared and positron methods. For the same anneal, Si-irradiated silicon shows partial restoration of crystallinity (RBS), and removal of the optically-active divacancies, but no change in positron trapping characteristics. Annealing to between 870 and 970K restores the crystal to near pre-implant characteristics. Results are discussed in terms of existing models of damage production during ion irradiation. Variable-energy positron methods have also been applied to study silicon layers grown by molecular beam epitaxy at low temperatures. The epilayers contain voids of ~6 mm diameter, which constitute efficient positron traps. The densities and sizes of voids in the epilayers were determined by transmission electron microscopy. Extremely narrow positron annihilation lineshapes were measured, and attributed to the formation of positronium within the voids. Measurements of the fraction of positrons trapped by voids are compared with the predictions of diffusion -limited trapping theory. The scope and limitations of defect profiling with variable-energy positrons and suggestions for further development of the technique are discussed.

  1. The integrated calcium II triplet as a metallicity indicator: comparisons with high-resolution [Fe/H] in M31 globular clusters

    NASA Astrophysics Data System (ADS)

    Sakari, Charli M.; Wallerstein, George

    2016-02-01

    Medium resolution (R = 4000-9000) spectra of the near infrared Ca II lines (at 8498, 8542, and 8662 Å) in M31 globular cluster (GC) integrated light spectra are presented. In individual stars the Ca II triplet (CaT) traces stellar metallicity; this paper compares integrated CaT strengths to well determined, high-precision [Fe/H] values from high-resolution integrated light spectra. The target GCs cover a wide range in metallicity (from [Fe/H] ˜ -2.1 to -0.2). While most are older than ˜10 Gyr, some may be of intermediate age (2-6 Gyr). A handful (3-6) have detailed abundances (e.g. low [Ca/Fe]) that indicate they may have been accreted from dwarf galaxies. Using various measurements and definitions of CaT strength, it is confirmed that for GCs with [Fe/H] ≲ -0.4 and older than ˜2 Gyr the integrated CaT traces cluster [Fe/H] to within ˜0.2 dex, independent of age. CaT lines in metal-rich GCs are very sensitive to nearby atomic lines (and TiO molecular lines in the most metal-rich GCs), largely due to line blanketing in continuum regions. The [Ca/Fe] ratio has a mild effect on the integrated CaT strength in metal poor GCs. The integrated CaT can therefore be safely used to determine rough metallicities for distant, unresolved clusters, provided that attention is paid to the limits of the measurement techniques.

  2. Nonlinear magnetohydrodynamics of electron-positron plasmas

    NASA Astrophysics Data System (ADS)

    Shukla, P. K.; Dasgupta, B.; Sakanaka, P. H.

    2000-05-01

    A set of nonlinear magnetohydrodynamic (MHD) equations for magnetized, nonrelativistic electron-positron plasmas is derived by employing a two fluid model that is supplemented by Ampère's and Faraday's laws. The nonlinear equations show how the baroclinic driver (the Biermann battery) generates the electron positron flows and how these flows give rise to plasma currents which act as a source for the magnetic fields. The newly derived nonlinear equations form a basis for investigating waves, instabilities, as well as coherent nonlinear structures, in addition to studying exact equilibria of electron-positron jets in a magnetoplasma.

  3. Prototyping of the ILC Baseline Positron Target

    SciTech Connect

    Gronberg, J; Brooksby, C; Piggott, T; Abbott, R; Javedani, J; Cook, E

    2012-02-29

    The ILC positron system uses novel helical undulators to create a powerful photon beam from the main electron beam. This beam is passed through a titanium target to convert it into electron-positron pairs. The target is constructed as a 1 m diameter wheel spinning at 2000 RPM to smear the 1 ms ILC pulse train over 10 cm. A pulsed flux concentrating magnet is used to increase the positron capture efficiency. It is cooled to liquid nitrogen temperatures to maximize the flatness of the magnetic field over the 1 ms ILC pulse train. We report on prototyping effort on this system.

  4. Three-dimensional modeling of ionized gas. II. Spectral energy distributions of massive and very massive stars in stationary and time-dependent modeling of the ionization of metals in H II regions

    NASA Astrophysics Data System (ADS)

    Weber, J. A.; Pauldrach, A. W. A.; Hoffmann, T. L.

    2015-11-01

    Context. H II regions play a crucial role in the measurement of the chemical composition of the interstellar medium and provide fundamental data about element abundances that constrain models of galactic chemical evolution. Discrepancies that still exist between observed emission line strengths and those predicted by nebular models can be partly attributed to the spectral energy distributions (SEDs) of the sources of ionizing radiation used in the models as well as to simplifying assumptions made in nebular modeling. Aims: One of the main influences on the nebular spectra is the metallicity, both nebular and stellar, which shows large variations even among nearby galaxies. Although nebular modeling often involves testing of different nebular metallicities against their influence on the predicted spectra, adequate grids of stellar atmospheres and realistic SEDs for different metallicities are still lacking. This is unfortunate because the influence of stellar metallicity on nebular line strength ratios, via its effect on the SEDs, is of similar importance as variations in the nebular metallicity. To overcome this deficiency we have computed a grid of model atmosphere SEDs for massive and very massive O-type stars covering a range of metallicities from significantly subsolar (0.1 Z⊙) to supersolar (2 Z⊙). Methods: The SEDs have been computed using a state-of-the-art model atmosphere code that takes into account the attenuation of the ionizing flux by the spectral lines of all important elements and the hydrodynamics of the radiatively driven winds and their influence on the SEDs. For the assessment of the SEDs in nebular simulations we have developed a (heretofore not available) 3D radiative transfer code that includes a time-dependent treatment of the metal ionization. Results: Using the SEDs in both 1D and 3D nebular models we explore the relative influence of stellar metallicity, gas metallicity, and inhomogeneity of the gas on the nebular ionization structure

  5. The Buffer-Gas Positron Accumulator and Resonances in Positron-Molecule Interactions

    NASA Technical Reports Server (NTRS)

    Surko, C.M.

    2007-01-01

    This is a personal account of the development of our buffer-gas positron trap and the new generation of cold beams that these traps enabled. Dick Drachman provided much appreciated advice to us from the time we started the project. The physics underlying trap operation is related to resonances (or apparent resonances) in positron-molecule interactions. Amusingly, experiments enabled by the trap allowed us to understand these processes. The positron-resonance "box score" to date is one resounding "yes," namely vibrational Feshbach resonances in positron annihilation on hydrocarbons; a "probably" for positron-impact electronic excitation of CO and NZ;an d a "maybe" for vibrational excitation of selected molecules. Two of these processes enabled the efficient operation of the trap, and one almost killed it in infancy. We conclude with a brief overview of further applications of the trapping technology discussed here, such as "massive" positron storage and beams with meV energy resolution.

  6. Novel metal-based pharmacologically dynamic agents of transition metal(II) complexes: Designing, synthesis, structural elucidation, DNA binding and photo-induced DNA cleavage activity

    NASA Astrophysics Data System (ADS)

    Raman, N.; Jeyamurugan, R.; Sakthivel, A.; Mitu, L.

    2010-01-01

    Novel Schiff base Cu(II), Ni(II), Co(II) and Zn(II) complexes have been designed and synthesized using the macrocyclic ligand derived from the condensation of diethylphthalate with Schiff base, obtained from benzene-1,2-diamine and 3-benzylidene-pentane-2,4-dione. The ligand and its complexes have been characterized by analytical and spectral techniques. DNA binding properties of these complexes have been investigated by UV-vis, viscosity measurements, cyclic voltammetric and differential pulse voltammogram studies. The intrinsic binding constants for Co(II), Ni(II), Cu(II) and Zn(II) complexes are 1.6 × 10 6, 1.8 × 10 6, 2.0 × 10 6 and 1.5 × 10 6 M -1 respectively which are obtained from electronic absorption experiment. Control DNA cleavage experiments using pUC19 supercoiled (SC) DNA and minor groove binder (distamycin) suggest the major groove binding tendency for the synthesized complexes. In the presence of a reducing agent like 3-mercaptopropionic acid (MPA), the synthesized complexes show chemical nuclease activity under dark reaction condition. The complexes also show efficient photo-induced DNA cleavage activity on irradiation with a monochromatic UV light of 360 nm in the presence of inhibitors. Control experiments show inhibition of cleavage in the presence of singlet oxygen quencher like sodium azide and enhancement of cleavage in D 2O, suggesting the formation of singlet oxygen as a reactive species in a type-II process.

  7. Controllable assembly of metal-directed coordination polymers under diverse conditions: a case study of the M(II)-H3tma/Bpt mixed-ligand system.

    PubMed

    Du, Miao; Jiang, Xiu-Juan; Zhao, Xiao-Jun

    2006-05-15

    A series of new metal-organic polymeric complexes, [[Co(bpt)(Htma)(H2O)3].2.25H2O]n (1), [Co(bpt)(Htma)(H2O)]n (2), [Ni(bpt)(Htma)(H2O)]n (3), [Zn(bpt)2(H2tma)2].6H2O (4), [[Cd(bpt)(Htma)(H2O)].(C2H5OH)(H2O)1.5]n (5), and [[Cd(bpt)(Htma)(H2O)2].5.5H2O]n (6), was prepared from solution reactions of 4-amino-3,5-bis(4-pyridyl)-1,2,4-triazole (bpt) and trimesic acid (H3tma) with different metal salts under diverse conditions. All these compounds were structurally determined by X-ray single-crystal diffraction, and the bulk new materials were further identified by X-ray powder diffraction. Complexes 1 and 6 show 1-D zigzag or linear Htma-bridged polymeric chains, with the terminal bpt ligands as pendants, which are extended to 2-D hydrogen-bonded arrays with 4.8(2) or (6,3) network topology. Coordination polymers 2 and 3, in which the 2-D corrugated metal-organic frameworks make the interdigitated 3-D packing, are isostructural. Complex 4 has a mononuclear structure, and its subunits are hydrogen-bonded to each other to give a 2-D grid-like net. For complex 5, the Cd(II) centers are linked by bpt/Htma ligands to form a 2-D (4,4) coordination layer, and these layers are interdigitated in pairs. Notably, secondary noncovalent forces, such as hydrogen bonds, play an important role in extending and stabilizing these structural topologies. Interestingly, distinct products are obtained for Co(II) (1 and 2) and Cd(II) (5 and 6) under ambient or hydrothermal conditions; however, for Ni(II) and Zn(II), single products, 3 and 4, are generated. The thermal stabilities of 1-6 were studied by thermogravimetric analysis of mass loss. The desorption/adsorption properties of the porous material 5 are also discussed. Solid-state luminescent spectra of the Zn(II) and Cd(II) complexes, 4-6, indicate intense fluorescent emissions at ca. 380 nm.

  8. Narrow He II emission in star-forming galaxies at low metallicity. Stellar wind emission from a population of very massive stars

    NASA Astrophysics Data System (ADS)

    Gräfener, G.; Vink, J. S.

    2015-06-01

    Context. In a recent study, star-forming galaxies with He ii λ1640 emission at moderate redshifts between 2 and 4.6 have been found to occur in two modes that are distinguished by the width of their He ii emission lines. Broad He ii emission has been attributed to stellar emission from a population of evolved Wolf-Rayet (WR) stars. The origin of narrow He ii emission is less clear but has been attributed to nebular emission excited by a population of very hot Pop III stars formed in pockets of pristine gas at moderate redshifts. Aims: We propose an alternative scenario for the origin of the narrow He ii emission, namely very massive stars (VMS) at low metallicity (Z), which form strong but slow WR-type stellar winds due to their proximity to the Eddington limit. Methods: We estimated the expected He ii line fluxes and equivalent widths based on wind models for VMS and Starburst99 population synthesis models and compared the results with recent observations of star-forming galaxies at moderate redshifts. Results: The observed He ii line strengths and equivalent widths are in line with what is expected for a population of VMS in one or more young super-clusters located within these galaxies. Conclusions: In our scenario the two observed modes of He ii emission originate from massive stellar populations in distinct evolutionary stages at low Z (~0.01 Z⊙). If this interpretation is correct, there is no need to postulate the existence of Pop III stars at moderate redshifts to explain the observed narrow He ii emission. An interesting possibility is the existence of self-enriched VMS with similar WR-type spectra at extremely low Z. Stellar He ii emission from such very early generations of VMS may be detectable in future studies of star-forming galaxies at high redshifts with the James Webb Space Telescope (JWST). The fact that the He ii emission of VMS is largely neglected in current population synthesis models will generally affect the interpretation of the

  9. Positron and positronium annihilation in silica-based thin films studied by a pulsed positron beam

    NASA Astrophysics Data System (ADS)

    Suzuki, R.; Ohdaira, T.; Kobayashi, Y.; Ito, K.; Shioya, Y.; Ishimaru, T.

    2003-10-01

    Positron and positronium annihilation in silica-based thin films has been investigated by means of measurement techniques with a monoenergetic pulsed positron beam. The age-momentum correlation study revealed that positron annihilation in thermally grown SiO 2 is basically the same as that in bulk amorphous SiO 2 while o-Ps in the PECVD grown SiCOH film predominantly annihilate with electrons of C and H at the microvoid surfaces. We also discuss time-dependent three-gamma annihilation in porous low- k films by two-dimensional positron annihilation lifetime spectroscopy.

  10. DNA interaction, antimicrobial, electrochemical and spectroscopic studies of metal(II) complexes with tridentate heterocyclic Schiff base derived from 2‧-methylacetoacetanilide

    NASA Astrophysics Data System (ADS)

    Raman, Natarajan; Pothiraj, Krishnan; Baskaran, Thanasekaran

    2011-08-01

    A new Schiff base ligand (HL) was synthesized by the condensation reaction between 2'-methyleacetoacetanilide and 2-amino-3-hydroxypyridine. Its Co(II), Ni(II), Cu(II) and Zn(II) complexes were prepared by the interaction of the ligand with metal(II) chloride. They were characterized by elemental analysis, IR, 1H NMR, EPR, UV-Vis, magnetic susceptibility measurements, conductivity measurements and FAB-mass spectra. The interaction of the complexes with calf thymus DNA (CT-DNA) has been investigated by UV absorption, viscosity and cyclic voltammetry methods, and the mode of CT-DNA binding to the complexes has been explored. Furthermore, the DNA cleavage activity by the complexes was performed. It was found to be oxidative hydroxyl radical cleavage in the presence of 3-mercaptopropionic acid (MPA). The Schiff base and its complexes have been screened for their antibacterial ( Staphylococcus aureus, Escherichia coli, Bacillus subtilis and Pseudomonas aeruginosa) and antifungal ( Aspergillus niger, Rhizopus stolonifer, Rhizoctonia bataicola and Candida albicans) activities and the data reveal that the complexes have higher activity than the free ligand.

  11. A field-assisted moderator for low-energy positron beams

    NASA Astrophysics Data System (ADS)

    Beling, C. D.; Simpson, R. I.; Charlton, M.; Jacobsen, F. M.; Griffith, T. C.; Moriarty, P.; Fung, S.

    1987-01-01

    A new positron field-assisted (FA) moderator based on the drift of positrons across a cooled silicon crystal is proposed. Using estimates for both the β + implantation profile and attainable drift velocities, the efficiency of drift to a slow e+ emitting surface is calculated using a diffusion equation which incorporates terms describing positron drift and annihilation. It is conjectured that efficiencies of up to 10% can be achieved. The use of epitaxially grown metallic suicide contacts to facilitate the application of the electric field is described and the consequences of using such contacts are fully discussed. Applications of the FA transmission mode moderator described here to produce timed brightness enhanced beams are briefly discussed.

  12. Addiction Studies with Positron Emission Tomography

    SciTech Connect

    Joanna Fowler

    2008-10-13

    Brookhaven scientist Joanna Fowler describes Positron Emission Technology (PET) research at BNL which for the past 30 years has focused in the integration of basic research in radiotracer chemistry with the tools of neuroscience to develop new scientific

  13. Electron and positron induced processes. POSMOL 2013

    NASA Astrophysics Data System (ADS)

    Limão-Vieira, Paulo; Campeanu, Radu; Hoshino, Masamitsu; Ingólfsson, Oddur; Mason, Nigel; Nagashima, Yasuyuki; Tanuma, Hajime

    2014-09-01

    POSMOL 2013, the international meeting on electron and positron induced processes comprising the XVII International Workshop on Low-Energy Positron and Positronium Physics and the XVIII International Symposium on Electron-Molecule Collisions and Swarms, was held at Kanazawa Bunka Hall, Kanazawa, Ishikawa, Japan, from 19-21 July 2013. The XVII Workshop encompassed all aspects of positron, positronium and antiproton interactions with electrons, atoms, molecules and solid surfaces, and topics related to these, whereas the XVIII Symposium encompassed all aspects of electron interactions with molecules in both gaseous and condensed phases. Particular topics include studies of electron interactions with biomolecules, electron induced surface chemistry and the study of plasma processes. Recent research on the study of electron swarms was also highlighted. Contribution to the Topical Issue "Electron and Positron Induced Processes", edited by Michael Brunger, Radu Campeanu, Masamitsu Hoshino, Oddur Ingólfsson, Paulo Limão-Vieira, Nigel Mason, Yasuyuki Nagashima and Hajime Tanuma.

  14. Positron kinetics in an idealized PET environment

    NASA Astrophysics Data System (ADS)

    Robson, R. E.; Brunger, M. J.; Buckman, S. J.; Garcia, G.; Petrović, Z. Lj.; White, R. D.

    2015-08-01

    The kinetic theory of non-relativistic positrons in an idealized positron emission tomography PET environment is developed by solving the Boltzmann equation, allowing for coherent and incoherent elastic, inelastic, ionizing and annihilating collisions through positronium formation. An analytic expression is obtained for the positronium formation rate, as a function of distance from a spherical source, in terms of the solutions of the general kinetic eigenvalue problem. Numerical estimates of the positron range - a fundamental limitation on the accuracy of PET, are given for positrons in a model of liquid water, a surrogate for human tissue. Comparisons are made with the ‘gas-phase’ assumption used in current models in which coherent scattering is suppressed. Our results show that this assumption leads to an error of the order of a factor of approximately 2, emphasizing the need to accurately account for the structure of the medium in PET simulations.

  15. Ion production by positron-molecule resonances

    NASA Astrophysics Data System (ADS)

    Glish, Gary L.; Greaves, R. G.; McLuckey, Scott A.; Hulett, Lester D.; Surko, C. M.; Xu, Jun; Donohue, David L.

    1994-04-01

    Ion production by low-energy positrons in low-density gases was reported by Passner, Surko, Mills, and Leventhal [Phys. Rev. A 39, 3706 (1989)]. That work studied the ionization of hydrocarbons in a positron trap in the presence of a buffer gas of molecular nitrogen. We present further analysis of the data from this experiment, taking into consideration the ionization of the hydrocarbons by nitrogen ions created as a result of the positron trapping process. We conclude that ionization by positrons was the dominant ion production mechanism at times longer than the characteristic ion confinement time of approximately 1 s, while ionization by nitrogen charge exchange was dominant at earlier times. The details of the ionization spectra are also discussed.

  16. Addiction Studies with Positron Emission Tomography

    ScienceCinema

    Joanna Fowler

    2016-07-12

    Brookhaven scientist Joanna Fowler describes Positron Emission Technology (PET) research at BNL which for the past 30 years has focused in the integration of basic research in radiotracer chemistry with the tools of neuroscience to develop new scientific

  17. Synthesis, characterization and properties of some divalent metal(II) complexes: Their electrochemical, catalytic, thermal and antimicrobial activity studies

    NASA Astrophysics Data System (ADS)

    Tümer, Mehmet; Ekinci, Duygu; Tümer, Ferhan; Bulut, Akif

    2007-07-01

    In this study, we synthesized the amine compound 2-(2-aminoethyliminomethyl)phenol (H 3A) as the starting material, and then we prepared the polydentate Schiff base ligands from the reactions of the amine compound (H 3A) with phtaldialdehyde (H 2L), 4-methyl-2,6-di-formlyphenol (H 3L 1) and 4- t-butyl-2,6-di-formylphenol (H 3L 2) in the ethanol solution. Moreover, the complexes Cd(II), Cu(II), Co(II), Ni(II), Zn(II) and Sn(II) of the ligands H 2L, H 3L 1 and H 3L 2 have been prepared. All compounds have been characterized by the analytical and spectroscopic methods. In addition, the magnetic susceptibility and molar conductance measurements have been made. The catalytic properties of the mono- and binuclear Co(II) and Cu(II) complexes have been studied on the 3,5-di- tert-butylcatechol (3,5-DTBC) and ascorbic acid (aa) as a substrate. The oxidative C-C coupling properties of the Co(II) and Cu(II) complexes have been investigated on the sterically hindered 2,6-di- tert-butylphenol (dtbp). The antimicrobial activity properties of the ligands and their mono- and binuclear complexes have been studied against the bacteria and fungi. The results have been compared to the antibacterial and fungi drugs. The TGA curves show that the decomposition takes place in three steps for all complexes. Electrochemical properties of the complexes Cu(II) and Ni(II) have been investigated for the first time in acetonitrile by cyclic voltammetry.

  18. Precious metals in SDSS quasar spectra. II. Tracking the evolution of strong, 0.4 < z < 2.3 Mg II absorbers with thousands of systems

    SciTech Connect

    Seyffert, Eduardo N.; Simcoe, Robert A.; Cooksey, Kathy L.; O'Meara, John M.; Kao, Melodie M.; Prochaska, J. Xavier E-mail: simcoe@space.mit.edu E-mail: jomeara@smcvt.edu E-mail: xavier@ucolick.org

    2013-12-20

    We have performed an analysis of over 34,000 Mg II doublets at 0.36 < z < 2.29 in Sloan Digital Sky Survey (SDSS) Data Release 7 quasar spectra; the catalog, advanced data products, and tools for analysis are publicly available. The catalog was divided into 14 small redshift bins with roughly 2500 doublets in each and from Monte Carlo simulations, we estimate 50% completeness at rest equivalent width W {sub r} ≈ 0.8 Å. The equivalent width frequency distribution is described well by an exponential model at all redshifts, and the distribution becomes flatter with increasing redshift, i.e., there are more strong systems relative to weak ones. Direct comparison with previous SDSS Mg II surveys reveals that we recover at least 70% of the doublets in these other catalogs, in addition to detecting thousands of new systems. We discuss how these surveys came by their different results, which qualitatively agree but because of the very small uncertainties, differ by a statistically significant amount. The estimated physical cross section of Mg II-absorbing galaxy halos increased approximately threefold from z = 0.4 to z = 2.3, while the W {sub r} ≥ 1 Å absorber line density, dN{sub MgII}/dX, grew by roughly 45%. Finally, we explore the different evolution of various absorber populations—damped Lyα absorbers, Lyman limit systems, strong C IV absorbers, and strong and weaker Mg II systems—across cosmic time (0 < z < 6).

  19. Intrinsic disorder and metal binding in UreG proteins from Archae hyperthermophiles: GTPase enzymes involved in the activation of Ni(II) dependent urease.

    PubMed

    Miraula, Manfredi; Ciurli, Stefano; Zambelli, Barbara

    2015-06-01

    Urease is a Ni(II) enzyme present in every domain of life, in charge for nitrogen recycling through urea hydrolysis. Its activity requires the presence of two Ni(II) ions in the active site. These are delivered by the concerted action of four accessory proteins, named UreD, UreF, UreG and UreE. This process requires protein flexibility at different levels and some disorder-to-order transition events that coordinate the mechanism of protein-protein interaction. In particular, UreG, the GTPase in charge of nucleotide hydrolysis required for urease activation, presents a significant degree of intrinsic disorder, existing as a conformational ensemble featuring characteristics that recall a molten globule. Here, the folding properties of UreG were explored in Archaea hyperthermophiles, known to generally feature significantly low level of structural disorder in their proteome. UreG proteins from Methanocaldococcus jannaschii (Mj) and Metallosphaera sedula (Ms) were structurally and functionally analyzed by integrating circular dichroism, NMR, light scattering and enzymatic assays. Metal-binding properties were studied using isothermal titration calorimetry. The results indicate that, as the mesophilic counterparts, both proteins contain a significant amount of secondary structure but maintain a flexible fold and a low GTPase activity. As opposed to other UreGs, secondary structure is lost at high temperatures (68 and 75 °C, respectively) with an apparent two-state mechanism. Both proteins bind Zn(II) and Ni(II), with affinities two orders of magnitude higher for Zn(II) than for Ni(II). No major modifications of the average conformational ensemble are observed, but binding of Zn(II) yields a more compact dimeric form in MsUreG. PMID:25846143

  20. Stability Analysis of an Inline Peptide-based Conjugate for Metal Delivery: Nickel(II)-claMP Tag Epidermal Growth Factor as a Model System

    PubMed Central

    Mills, Brittney J.; Laurence, Jennifer S.

    2014-01-01

    Metals are a key component of many diagnostic imaging and biotechnology applications, and the majority of cancer patients receive a platinum-based drug as part of their treatment. Significant effort has been devoted to developing tight binding synthetic chelators to enable effective targeted delivery of metal-based conjugates, with most successes involving lanthanides rather than transition metals for diagnostic imaging. Chemical conjugation modifies the protein’s properties and generates a heterogeneous mixture of products. Chelator attachment is typically done by converting the amino group on lysines to an amide, which can impact the stability and solubility of the targeting protein and these properties vary among the set of individual conjugate species. Site-specific attachment is sought to reduce complexity and control stability. Here, the metal abstraction peptide (MAP) technology was applied to create the claMP Tag, an inline platform for generating site-specific conjugates involving transition metals. The claMP Tag was genetically encoded into epidermal growth factor (EGF) and loaded with nickel(II) as a model system to demonstrate that the tag within the homogeneous inline conjugate presents sufficient solution stability to enable biotechnology applications. The structure and disulfide network of the protein and chemical stability of the claMP Tag and EGF components were characterized. PMID:25212829

  1. The impact of increased oxygen conditions on metal-contaminated sediments part II: effects on metal accumulation and toxicity in aquatic invertebrates.

    PubMed

    De Jonge, M; Teuchies, J; Meire, P; Blust, R; Bervoets, L

    2012-06-15

    The present study evaluated the effect of increasing oxygen concentrations in overlying surface water on the accumulation and toxicity of sediment-bound metals in the aquatic invertebrates Lumbriculus variegatus, Asellus aquaticus and Daphnia magna. A 54 days experiment using three experimental treatments (90% O(2) in overlying surface water, 40% O(2) and a non-polluted control) was conducted. At 6 different time points (after 0, 2, 5, 12, 32 and 54 days) acid volatile sulfides (AVS), simultaneously extracted metals (SEM) and total organic carbon (TOC) were measured in the superficial sediment layer (0-1 cm). At each time point, accumulated metal levels as well as the available energy stores were measured in L. variegatus and A. aquaticus and each time D. magna was exposed to surface water in a 24 h toxicity test. Additionally metallothionein-like protein (MTLP) induction was quantified in L. variegatus. Oxygen induced changes in sediment AVS resulted in faster accumulation of metals from contaminated sediments in A. aquaticus, while no differences in toxicity in this species were observed. Ag, Cr, As and Co accumulation as well as toxicity in water exposed D. magna were clearly enhanced after 54 days, caused by oxidation of metal-sulfide complexes. Due to their feeding and burrowing behaviour, metal accumulation and toxicity in L. variegatus was not influenced by geochemical characteristics. Nevertheless, a rapid induction of MTLP was observed in both the 90% O(2) and the 40% O(2) treatment. The present study showed that elevated oxygen concentrations in overlying surface water can directly enhance metal accumulation and toxicity in aquatic invertebrates, however this is highly dependent on the organisms ecology and most dominant metal exposure route (water vs. sediment).

  2. [PHEMA/PEI]-Cu(II) based immobilized metal affinity chromatography cryogels: Application on the separation of IgG from human plasma.

    PubMed

    Bakhshpour, Monireh; Derazshamshir, Ali; Bereli, Nilay; Elkak, Assem; Denizli, Adil

    2016-04-01

    The immobilized metal-affinity chromatography (IMAC) has gained significant interest as a widespread separation and purification tool for therapeutic proteins, nucleic acids and other biological molecules. The enormous potential of IMAC for proteins with natural surface exposed-histidine residues and for recombinant proteins with histidine clusters. Cryogels as monolithic materials have recently been proposed as promising chromatographic adsorbents for the separation of biomolecules in downstream processing. In the present study, IMAC cryogels have been synthesized and utilized for the adsorption and separation of immunoglobulin G (IgG) from IgG solution and whole human plasma. For this purpose, Cu(II)-ions were coupled to poly(hydroxyethyl methacrylate) PHEMA using poly(ethylene imine) (PEI) as the chelating ligand. In this study the cryogels formation optimized by the varied proportion of PEI from 1% to 15% along with different amounts of Cu (II) as chelating metal. The prepared cryogels were characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, and thermogravimetric analysis. The [PHEMA/PEI]-Cu(II) cryogels were assayed for their capability to bind the human IgG from aqueous solutions. The IMAC cryogels were found to have high affinity toward human IgG. The adsorption of human IgG was investigated onto the PHEMA/PEI cryogels with (10% PEI) and the concentration of Cu (II) varied as 10, 50, 100 and 150 mg/L. The separation of human IgG was achieved in one purification step at pH7.4. The maximum adsorption capacity was observed at the [PHEMA/PEI]-Cu(II) (10% PEI) with 72.28 mg/g of human IgG. The purification efficiency and human IgG purity were investigated by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). PMID:26838913

  3. THE MOST METAL-POOR STARS. II. CHEMICAL ABUNDANCES OF 190 METAL-POOR STARS INCLUDING 10 NEW STARS WITH [Fe/H] {<=} -3.5 , ,

    SciTech Connect

    Yong, David; Norris, John E.; Bessell, M. S.; Asplund, M.; Christlieb, N.; Beers, Timothy C.; Barklem, P. S.; Frebel, Anna; Ryan, S. G. E-mail: jen@mso.anu.edu.au E-mail: martin@mso.anu.edu.au E-mail: beers@pa.msu.edu E-mail: afrebel@mit.edu

    2013-01-01

    We present a homogeneous chemical abundance analysis of 16 elements in 190 metal-poor Galactic halo stars (38 program and 152 literature objects). The sample includes 171 stars with [Fe/H] {<=} -2.5, of which 86 are extremely metal poor, [Fe/H] {<=} -3.0. Our program stars include 10 new objects with [Fe/H] {<=} -3.5. We identify a sample of 'normal' metal-poor stars and measure the trends between [X/Fe] and [Fe/H], as well as the dispersion about the mean trend for this sample. Using this mean trend, we identify objects that are chemically peculiar relative to 'normal' stars at the same metallicity. These chemically unusual stars include CEMP-no objects, one star with high [Si/Fe], another with high [Ba/Sr], and one with unusually low [X/Fe] for all elements heavier than Na. The Sr and Ba abundances indicate that there may be two nucleosynthetic processes at lowest metallicity that are distinct from the main r-process. Finally, for many elements, we find a significant trend between [X/Fe] versus T {sub eff}, which likely reflects non-LTE and/or three-dimensional effects. Such trends demonstrate that care must be exercised when using abundance measurements in metal-poor stars to constrain chemical evolution and/or nucleosynthesis predictions.

  4. Copper(II)-mediated thermolysis of alginates: a model kinetic study on the influence of metal ions in the thermochemical processing of macroalgae.

    PubMed

    Rowbotham, J S; Dyer, P W; Greenwell, H C; Selby, D; Theodorou, M K

    2013-02-01

    Thermochemical processing methods such as pyrolysis are of growing interest as a means of converting biomass into fuels and commodity chemicals in a sustainable manner. Macroalgae, or seaweed, represent a novel class of feedstock for pyrolysis that, owing to the nature of the environments in which they grow coupled with their biochemistry, naturally possess high metal contents. Although the impact of metals upon the pyrolysis of terrestrial biomass is well documented, their influence on the thermochemical conversion of marine-derived feeds is largely unknown. Furthermore, these effects are inherently difficult to study, owing to the heterogeneous character of natural seaweed samples. The work described in this paper uses copper(II) alginate, together with alginic acid and sodium alginate as model compounds for exploring the effects of metals upon macroalgae thermolysis. A thermogravimetric analysis-Fourier transform infrared spectroscopic study revealed that, unusually, Cu(2+) ions promote the onset of pyrolysis in the alginate polymer, with copper(II) alginate initiating rapid devolatilization at 143°C, 14°C lower than alginic acid and 61°C below the equivalent point for sodium alginate. Moreover, this effect was mirrored in a sample of wild Laminaria digitata that had been doped with Cu(2+) ions prior to pyrolysis, thus validating the use of alginates as model compounds with which to study the thermolysis of macroalgae. These observations indicate the varying impact of different metal species on thermochemical behaviour of seaweeds and offer an insight into the pyrolysis of brown macroalgae used in phytoremediation of metal-containing waste streams. PMID:24427515

  5. Copper(II)-mediated thermolysis of alginates: a model kinetic study on the influence of metal ions in the thermochemical processing of macroalgae

    PubMed Central

    Rowbotham, J. S.; Dyer, P. W.; Greenwell, H. C.; Selby, D.; Theodorou, M. K.

    2013-01-01

    Thermochemical processing methods such as pyrolysis are of growing interest as a means of converting biomass into fuels and commodity chemicals in a sustainable manner. Macroalgae, or seaweed, represent a novel class of feedstock for pyrolysis that, owing to the nature of the environments in which they grow coupled with their biochemistry, naturally possess high metal contents. Although the impact of metals upon the pyrolysis of terrestrial biomass is well documented, their influence on the thermochemical conversion of marine-derived feeds is largely unknown. Furthermore, these effects are inherently difficult to study, owing to the heterogeneous character of natural seaweed samples. The work described in this paper uses copper(II) alginate, together with alginic acid and sodium alginate as model compounds for exploring the effects of metals upon macroalgae thermolysis. A thermogravimetric analysis–Fourier transform infrared spectroscopic study revealed that, unusually, Cu2+ ions promote the onset of pyrolysis in the alginate polymer, with copper(II) alginate initiating rapid devolatilization at 143°C, 14°C lower than alginic acid and 61°C below the equivalent point for sodium alginate. Moreover, this effect was mirrored in a sample of wild Laminaria digitata that had been doped with Cu2+ ions prior to pyrolysis, thus validating the use of alginates as model compounds with which to study the thermolysis of macroalgae. These observations indicate the varying impact of different metal species on thermochemical behaviour of seaweeds and offer an insight into the pyrolysis of brown macroalgae used in phytoremediation of metal-containing waste streams. PMID:24427515

  6. Positron annihilation studies of organic superconductivity

    SciTech Connect

    Yen, H.L.; Lou, Y.; Ali, E.H.

    1994-09-01

    The positron lifetimes of two organic superconductors, {kappa}-(ET){sub 2}Cu(NCS){sub 2} and {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br, are measured as a function of temperature across {Tc}. A drop of positron lifetime below {Tc} is observed. Positron-electron momentum densities are measured by using 2D-ACAR to search for the Fermi surface in {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br. Positron density distributions and positron-electron overlaps are calculated by using the orthogonalized linear combination atomic orbital (OLCAO) method to interprete the temperature dependence due to the local charge transfer which is inferred to relate to the superconducting transition. 2D-ACAR results in {kappa}-(ET){sub 2}Cu[N(CN){sub 2}]Br are compared with theoretical band calculations based on a first-principles local density approximation. Importance of performing accurate band calculations for the interpretation of positron annihilation data is emphasized.

  7. IMPROVED Ti II log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect

    Wood, M. P.; Lawler, J. E.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: cowan@nhn.ou.edu

    2013-10-01

    Atomic transition probability measurements for 364 lines of Ti II in the UV through near-IR are reported. Branching fractions from data recorded using a Fourier transform spectrometer (FTS) and a new echelle spectrometer are combined with published radiative lifetimes to determine these transition probabilities. The new results are in generally good agreement with previously reported FTS measurements. Use of the new echelle spectrometer, independent radiometric calibration methods, and independent data analysis routines enables a reduction of systematic errors and overall improvement in transition probability accuracy over previous measurements. The new Ti II data are applied to high-resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to derive new, more accurate Ti abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. The Ti abundances derived using Ti II for these two stars match those derived using Ti I and support the relative Ti/Fe abundance ratio versus metallicity seen in previous studies.

  8. The population of planetary nebulae and H II regions in M 81. A study of radial metallicity gradients and chemical evolution

    NASA Astrophysics Data System (ADS)

    Stanghellini, L.; Magrini, L.; Villaver, E.; Galli, D.

    2010-10-01

    Context. M 81 is an ideal laboratory to investigate the galactic chemical and dynamical evolution through the study of its young and old stellar populations. Aims: We analyze the chemical abundances of planetary nebulae and H ii regions in the M 81 disk for insight on galactic evolution, and compare it with that of other galaxies, including the Milky Way. Methods: We acquired Hectospec/MMT spectra of 39 PNe and 20 H ii regions, with 33 spectra viable for temperature and abundance analysis. Our PN observations represent the first PN spectra in M 81 ever published, while several H ii region spectra have been published before, although without a direct electron temperature determination. We determine elemental abundances of helium, nitrogen, oxygen, neon, sulfur, and argon in PNe and H ii regions, and determine their averages and radial gradients. Results: The average O/H ratio of PNe compared to that of the H ii regions indicates a general oxygen enrichment in M 81 in the last ~10 Gyr. The PN metallicity gradient in the disk of M 81 is Δlog(O/H)/ΔRG = -0.055 ± 0.02 dex/kpc. Neon and sulfur in PNe have a radial distribution similar to that of oxygen, with similar gradient slopes. If we combine our H ii sample with the one in the literature we find a possible mild evolution of the gradient slope, with results consistent with gradient steepening with time. Additional spectroscopy is needed to confirm this trend. There are no type I PNe in our M 81 sample, consistently with the observation of only the brightest bins of the PNLF, the galaxy metallicity, and the evolution of post-AGB shells. Conclusions: Both the young and the old populations of M 81 disclose shallow but detectable negative radial metallicity gradient, which could be slightly steeper for the young population, thus not excluding a mild gradients steepening with the time since galaxy formation. During its evolution M 81 has been producing oxygen; its total oxygen enrichment exceeds that of other nearby

  9. Intense low energy positron beams

    SciTech Connect

    Lynn, K.G.; Jacobsen, F.M.

    1993-12-31

    Intense positron beams are under development or being considered at several laboratories. Already today a few accelerator based high intensity, low brightness e{sup +} beams exist producing of the order of 10{sup 8} {minus} 10{sup 9} e{sup +}/sec. Several laboratories are aiming at high intensity, high brightness e{sup +} beams with intensities greater than 10{sup 9} e{sup +}/sec and current densities of the order of 10{sup 13} {minus} 10{sup 14} e{sup +} sec{sup {minus}} {sup 1}cm{sup {minus}2}. Intense e{sup +} beams can be realized in two ways (or in a combination thereof) either through a development of more efficient B{sup +} moderators or by increasing the available activity of B{sup +} particles. In this review we shall mainly concentrate on the latter approach. In atomic physics the main trust for these developments is to be able to measure differential and high energy cross-sections in e{sup +} collisions with atoms and molecules. Within solid state physics high intensity, high brightness e{sup +} beams are in demand in areas such as the re-emission e{sup +} microscope, two dimensional angular correlation of annihilation radiation, low energy e{sup +} diffraction and other fields. Intense e{sup +} beams are also important for the development of positronium beams, as well as exotic experiments such as Bose condensation and Ps liquid studies.

  10. Theoretical investigation, biological evaluation and VEGFR2 kinase studies of metal(II) complexes derived from hydrotris(methimazolyl)borate.

    PubMed

    Jayakumar, S; Mahendiran, D; Srinivasan, T; Mohanraj, G; Kalilur Rahiman, A

    2016-02-01

    The reaction of soft tripodal scorpionate ligand, sodium hydrotris(methimazolyl)borate with M(ClO4)2·6H2O [MMn(II), Ni(II), Cu(II) or Zn(II)] in methanol leads to the cleavage of B-N bond followed by the formation of complexes of the type [M(MeimzH)4](ClO4)2·H2O (1-4), where MeimzH=methimazole. All the complexes were fully characterized by spectro-analytical techniques. The molecular structure of the zinc(II) complex (4) was determined by X-ray crystallography, which supports the observed deboronation reaction in the scorpionate ligand with tetrahedral geometry around zinc(II) ion. The electronic spectra of complexes suggested tetrahedral geometry for manganese(II) and nickel(II) complexes, and square-planar geometry for copper(II) complex. Frontier molecular orbital analysis (HOMO-LUMO) was carried out by B3LYP/6-31G(d) to understand the charge transfer occurring in the molecules. All the complexes exhibit significant antimicrobial activity against Gram (-ve) and Gram (+ve) bacterial as well as fungal strains, which are quite comparable to standard drugs streptomycin and clotrimazole. The copper(II) complex (3) showed excellent free radical scavenging activity against DPPH in all concentration with IC50 value of 30μg/mL, when compared to the other complexes. In the molecular docking studies, all the complexes showed hydrophobic, π-π and hydrogen bonding interactions with BSA. The cytotoxic activity of the complexes against human hepatocellular liver carcinoma (HepG2) cells was assessed by MTT assay, which showed exponential responses toward increasing concentration of complexes.

  11. Ten metal complexes of vitamin B3/niacin: Spectroscopic, thermal, antibacterial, antifungal, cytotoxicity and antitumor studies of Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Pd(II), Cd(II), Pt(IV) and Au(III) complexes

    NASA Astrophysics Data System (ADS)

    Al-Saif, Foziah A.; Refat, Moamen S.

    2012-08-01

    Ten coordination compounds, namely Mn(NA)2Cl2·4H2O (1), Fe(NA)Cl3(H2O)2 (2), Co(NA)2(NO3)2·6H2O (3), Ni(NA)Cl2·5H2O (4), Cu(NA)Cl2·3H2O (5), Zn(NA)(NO3)2·H2O (6), Pd(NA)2Cl2·H2O (7), Cd(NA)Cl2·H2O (8), Pt(NA)2Cl4·5H2O (9) and Au(NA)Cl3 (10) were obtained by the reactions of the corresponding transition metal salts with vitamin B3/niacin (NA) in the presence of 1:4 (v:v) distilled water: methanol solvent at 70 °C for about 30 min, and their suggested structures were determined by elemental analyses, molar conductivity, (infrared, UV-vis) spectra, effective magnetic moment in Bohr magnetons, electron spin resonance (ESR), thermal analysis (TG), X-ray powder diffraction (XRD) as well as scanning electron microscopy (SEM). The results revealed that in complexes 1, 3, 7, and 9 both of two NA ligand coordinates one metal ion to form four or six coordinated structures, while in compound 10, one NA ligand coordinate to Au+++ ion to form a square-planar geometry with N-bonded pyridine ligand is suggested, and (2, 4, 5, 6 and, 8) complexes have 1:1 structures. Antimicrobial and antitumor activities were assessment against some kind of (G+ and G-) bacteria, fungi and breast carcinoma cells (MCF-7-cell line).

  12. Fe(III) hydroxide nucleation and growth on quartz in the presence of Cu(II), Pb(II), and Cr(III): metal hydrolysis and adsorption.

    PubMed

    Dai, Chong; Hu, Yandi

    2015-01-01

    Fe(III) hydroxide nanoparticles are an essential carrier for aqueous heavy metals. Particularly, iron hydroxide precipitation on mineral surfaces can immobilize aqueous heavy metals. Here, we used grazing-incidence small-angle X-ray scattering (GISAXS) to quantify nucleation and growth of iron hydroxide on quartz in 0.1 mM Fe(NO3)3 solution in the presence of Na(+), Cu(2+), Pb(2+), or Cr(3+) at pH = 3.7 ± 0.1. In 30 min, the average radii of gyration (R(g)) of particles on quartz grew from around 2 to 6 nm in the presence of Na(+) and Cu(2+). Interestingly, the particle sizes remained 3.3 ± 0.3 nm in the presence of Pb(2+), and few particles formed in the presence of Cr(3+). Quartz crystal microbalance dissipation (QCM-D) measurements showed that only Cr(3+) adsorbed onto quartz, while Cu(2+) and Pb(2+) did not. Cr(3+) adsorption changed the surface charge of quartz from negative to positive, thus inhibiting the precipitation of positively charged iron hydroxide on quartz. Masses and compositions of the precipitates were also quantified. This study provided new insights on interactions among quartz, iron hydroxide, and metal ions. Such information is helpful not only for environmental remediation but also for the doping design of iron oxide catalysts. PMID:25496643

  13. Fe(III) hydroxide nucleation and growth on quartz in the presence of Cu(II), Pb(II), and Cr(III): metal hydrolysis and adsorption.

    PubMed

    Dai, Chong; Hu, Yandi

    2015-01-01

    Fe(III) hydroxide nanoparticles are an essential carrier for aqueous heavy metals. Particularly, iron hydroxide precipitation on mineral surfaces can immobilize aqueous heavy metals. Here, we used grazing-incidence small-angle X-ray scattering (GISAXS) to quantify nucleation and growth of iron hydroxide on quartz in 0.1 mM Fe(NO3)3 solution in the presence of Na(+), Cu(2+), Pb(2+), or Cr(3+) at pH = 3.7 ± 0.1. In 30 min, the average radii of gyration (R(g)) of particles on quartz grew from around 2 to 6 nm in the presence of Na(+) and Cu(2+). Interestingly, the particle sizes remained 3.3 ± 0.3 nm in the presence of Pb(2+), and few particles formed in the presence of Cr(3+). Quartz crystal microbalance dissipation (QCM-D) measurements showed that only Cr(3+) adsorbed onto quartz, while Cu(2+) and Pb(2+) did not. Cr(3+) adsorption changed the surface charge of quartz from negative to positive, thus inhibiting the precipitation of positively charged iron hydroxide on quartz. Masses and compositions of the precipitates were also quantified. This study provided new insights on interactions among quartz, iron hydroxide, and metal ions. Such information is helpful not only for environmental remediation but also for the doping design of iron oxide catalysts.

  14. Primary cosmic ray positrons and galactic annihilation radiation

    NASA Astrophysics Data System (ADS)

    Lingenfelter, R. E.; Ramaty, R.

    1980-10-01

    The observation (Leventhal et al, 1978) of positron annihilation radiation at 0.511 MeV from the direction of the Galactic Center is reexamined, suggesting the possibility of a primary positron component of the cosmic rays. The observed 0.511 MeV emission requires a positron production rate nearly two orders of magnitude greater than the production rate of secondary cosmic ray positrons from pion decay produced in cosmic ray interactions. Possible sources of positrons are reviewed with both supernovae and pulsars appearing to be the more likely candidates. If only about 1% of these positrons were accelerated along with the cosmic ray nucleons and electrons to energies not less than 100 MeV, it is believed that these primary positrons would be comparable in intensity to those secondary positrons resulting from pion decay. Some observational evidence for the existence of primary positrons in the cosmic rays is also discussed.

  15. Uncovering multiple Wolf-Rayet star clusters and the ionized ISM in Mrk 178: the closest metal-poor Wolf-Rayet H II galaxy

    NASA Astrophysics Data System (ADS)

    Kehrig, C.; Pérez-Montero, E.; Vílchez, J. M.; Brinchmann, J.; Kunth, D.; García-Benito, R.; Crowther, P. A.; Hernández-Fernández, J.; Durret, F.; Contini, T.; Fernández-Martín, A.; James, B. L.

    2013-07-01

    New integral field spectroscopy (IFS) has been obtained for the nearby metal-poor Wolf-Rayet (WR) galaxy Mrk 178 to examine the spatial correlation between its WR stars and the neighbouring ionized interstellar medium (ISM). The strength of the broad WR features and its low metallicity make Mrk 178 an intriguing object. We have detected the blue and red WR bumps in different locations across the field of view (˜300 pc × 230 pc) in Mrk 178. The study of the WR content has been extended, for the first time, beyond its brightest star-forming knot uncovering new WR star clusters. Using Large/Small Magellanic Cloud-template WR stars, we empirically estimate a minimum of ˜20 WR stars within the region sampled. Maps of the spatial distribution of the emission lines and of the physical-chemical properties of the ionized ISM have been created and analysed. Here, we refine the statistical methodology by Pérez-Montero et al. (2011) to probe the presence of variations in the ISM properties. An error-weighted mean of 12+log(O/H) = 7.72 ± 0.01 is taken as the representative oxygen abundance for Mrk 178. A localized N and He enrichment, spatially correlated with WR stars, is suggested by this analysis. Nebular He II λ4686 emission is shown to be spatially extended reaching well beyond the location of the WR stars. This spatial offset between WRs and He II emission can be explained based on the mechanical energy input into the ISM by the WR star winds, and does not rule out WR stars as the He II ionization source. We study systematic aperture effects on the detection and measurement of the WR features, using Sloan Digital Sky Survey spectra combined with the power of IFS. In this regard, the importance of targeting low metallicity nearby systems is discussed.

  16. Anchoring of Cu(II) onto surface of porous metal-organic framework through post-synthesis modification for the synthesis of benzimidazoles and benzothiazoles

    NASA Astrophysics Data System (ADS)

    Kardanpour, Reihaneh; Tangestaninejad, Shahram; Mirkhani, Valiollah; Moghadam, Majid; Mohammadpoor-Baltork, Iraj; Zadehahmadi, Farnaz

    2016-03-01

    Efficient synthesis of various benzimidazoles and benzothiazoles under mild conditions catalyzed by Cu(II) anchored onto UiO-66-NH2 metal organic framework is reported. In this manner, first, the aminated UiO-66 was modified with thiophene-2-carbaldehyde and then the prepared Schiff base was reacted with CuCl2. The prepared catalyst was characterized by FT-IR, UV-vis, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), N2 adsorption, inductively coupled plasma atomic emission spectroscopy (ICP-AES) and field emission scanning electron microscopy (FE-SEM). The UiO-66-NH2-TC-Cu was applied as a highly efficient catalyst for synthesis of benzimidazole and benzothiazole derivatives by the reaction of aldehydes with 1,2-diaminobenzene or 2-aminothiophenol. The Cu(II)-containing MOF was reused several times without any appreciable loss of its efficiency.

  17. IMPROVED V II log(gf) VALUES, HYPERFINE STRUCTURE CONSTANTS, AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect

    Wood, M. P.; Lawler, J. E.; Den Hartog, E. A.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: chris@verdi.as.utexas.edu

    2014-10-01

    New experimental absolute atomic transition probabilities are reported for 203 lines of V II. Branching fractions are measured from spectra recorded using a Fourier transform spectrometer and an echelle spectrometer. The branching fractions are normalized with radiative lifetime measurements to determine the new transition probabilities. Generally good agreement is found between this work and previously reported V II transition probabilities. Two spectrometers, independent radiometric calibration methods, and independent data analysis routines enable a reduction in systematic uncertainties, in particular those due to optical depth errors. In addition, new hyperfine structure constants are measured for selected levels by least squares fitting line profiles in the FTS spectra. The new V II data are applied to high resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to determine new, more accurate V abundances. Lines covering a range of wavelength and excitation potential are used to search for non-LTE effects. Very good agreement is found between our new solar photospheric V abundance, log ε(V) = 3.95 from 15 V II lines, and the solar-system meteoritic value. In HD 84937, we derive [V/H] = –2.08 from 68 lines, leading to a value of [V/Fe] = 0.24.

  18. Molecular assemblies of 4-(hexadecyloxy)-n-(pyridinylmethylene)anilines at the air-water interface and Cu(II)-promoted vesicle formation via metal coordination.

    PubMed

    Wang, Haibo; Miao, Wangen; Liu, Huijin; Zhang, Xianfeng; Du, Xuezhong

    2010-09-01

    The molecular assemblies of 4-(hexadecyloxy)-N-(pyridinylmethylene)anilines (HPA) at the air-water interface on pure water and aqueous Cu(II) subphases have been investigated using in situ infrared reflection absorption spectroscopy (IRRAS). The Schiff base units were oriented with their long axes almost perpendicular to the water surface, and both imine and pyridinyl nitrogen atoms of the Schiff base units were coordinated to Cu(II) ions together with their geometrical conversions. The alkyl chains in the monolayers were quantitatively determined on the assumption that the HPA monolayers at the air-water interface were composed of sublayers of alkyl chains and Schiff base units, and the chain orientation angle on pure water was 30 +/- 2 degrees and increased to 37 +/- 2 degrees on the aqueous Cu(II) subphase. The HPA amphiphiles could not be dispersed in pure water but could self-organize into vesicles with metal-coordinated headgroups and interdigitated-packed alkyl chains in the presence of Cu(II) ions in aqueous solution. Transmission electron microscopy (TEM), differential scanning calorimetry (DSC), UV-vis spectroscopy, and small-angle X-ray diffraction (XRD) were used to investigate the aggregate structures and specific properties of the coordinated vesicles. PMID:20698514

  19. Improved log(gf) Values for Lines of V I and V II, New Vanadium Abundances in the Sun and the Metal-Poor Star HD 84937

    NASA Astrophysics Data System (ADS)

    Lawler, James E.; Wood, Michael P.; Den Hartog, Elizabeth; Feigenson, Thomas; Sneden, Chris; Cowan, John J.

    2015-01-01

    New emission branching fraction measurements for 836 lines of the first spectrum of vanadium (V I) and 203 lines of V II are determined from hollow cathode lamp spectra recorded with the National Solar Observatory 1m Fourier transform spectrometer (FTS) and a high resolution echelle spectrometer. The branching fractions are combined with new radiative lifetimes from laser induced fluorescence measurements to determine accurate absolute atomic transition probabilities for 1039 lines of V I and V II. The FTS data are also used to extract new hyperfine structure A coefficients for both spectra. These new laboratory data are applied to determine the V abundance in the Sun and metal-poor star HD 84937, yielding log ɛ(V) = 3.96 (σ = 0.04) based on 93 V I lines and log ɛ(V) = 1.89 (σ = 0.07) based on nine V I lines respectively, and yielding log ɛ(V) = 3.95 (σ = 0.05) based on 15 V II lines and log ɛ(V) = 1.87 (σ = 0.07) based on 68 V II lines respectively1-3.1. Wood et al., ApJS 214:18 (2014), 2. Den Hartog et al. ApJS in press (2014), 3. Lawler et al. ApJS submitted (2014). This work is supported by NASA grant NNX10AN93G (JEL), NSF AST-1211055 (EDH & JEL), and NSF AST-1211585 (CS).

  20. Luminescent metallogels of platinum(II) terpyridyl complexes: interplay of metal...metal, pi-pi and hydrophobic-hydrophobic interactions on gel formation.

    PubMed

    Tam, Anthony Yiu-Yan; Wong, Keith Man-Chung; Wang, Guoxin; Yam, Vivian Wing-Wah

    2007-05-28

    A series of platinum(II) terpyridyl complexes has been demonstrated to show gelation properties driven by Pt...Pt and pi-pi interactions in addition to hydrophobic-hydrophobic interactions; counter-anions have been found to affect strongly the colour of the metallogel.

  1. Van de Graaff based positron source production

    NASA Astrophysics Data System (ADS)

    Lund, Kasey Roy

    The anti-matter counterpart to the electron, the positron, can be used for a myriad of different scientific research projects to include materials research, energy storage, and deep space flight propulsion. Currently there is a demand for large numbers of positrons to aid in these mentioned research projects. There are different methods of producing and harvesting positrons but all require radioactive sources or large facilities. Positron beams produced by relatively small accelerators are attractive because they are easily shut down, and small accelerators are readily available. A 4MV Van de Graaff accelerator was used to induce the nuclear reaction 12C(d,n)13N in order to produce an intense beam of positrons. 13N is an isotope of nitrogen that decays with a 10 minute half life into 13C, a positron, and an electron neutrino. This radioactive gas is frozen onto a cryogenic freezer where it is then channeled to form an antimatter beam. The beam is then guided using axial magnetic fields into a superconducting magnet with a field strength up to 7 Tesla where it will be stored in a newly designed Micro-Penning-Malmberg trap. Several source geometries have been experimented on and found that a maximum antimatter beam with a positron flux of greater than 0.55x10 6 e+s-1 was achieved. This beam was produced using a solid rare gas moderator composed of krypton. Due to geometric restrictions on this set up, only 0.1-1.0% of the antimatter was being frozen to the desired locations. Simulations and preliminary experiments suggest that a new geometry, currently under testing, will produce a beam of 107 e+s-1 or more.

  2. Positron range estimations with PeneloPET

    NASA Astrophysics Data System (ADS)

    Cal-González, J.; Herraiz, J. L.; España, S.; Corzo, P. M. G.; Vaquero, J. J.; Desco, M.; Udias, J. M.

    2013-08-01

    Technical advances towards high resolution PET imaging try to overcome the inherent physical limitations to spatial resolution. Positrons travel in tissue until they annihilate into the two gamma photons detected. This range is the main detector-independent contribution to PET imaging blurring. To a large extent, it can be remedied during image reconstruction if accurate estimates of positron range are available. However, the existing estimates differ, and the comparison with the scarce experimental data available is not conclusive. In this work we present positron annihilation distributions obtained from Monte Carlo simulations with the PeneloPET simulation toolkit, for several common PET isotopes (18F, 11C, 13N, 15O, 68Ga and 82Rb) in different biological media (cortical bone, soft bone, skin, muscle striated, brain, water, adipose tissue and lung). We compare PeneloPET simulations against experimental data and other simulation results available in the literature. To this end the different positron range representations employed in the literature are related to each other by means of a new parameterization for positron range profiles. Our results are generally consistent with experiments and with most simulations previously reported with differences of less than 20% in the mean and maximum range values. From these results, we conclude that better experimental measurements are needed, especially to disentangle the effect of positronium formation in positron range. Finally, with the aid of PeneloPET, we confirm that scaling approaches can be used to obtain universal, material and isotope independent, positron range profiles, which would considerably simplify range correction.

  3. Harnessing the bone-seeking ability of Ca(II)-like metal ions in the treatment of metastatic cancer and resorption disorders.

    PubMed

    Weekes, D M; Orvig, C

    2016-04-21

    Metal ions are naturally retained by skeletal tissues in living systems because of their high affinity for the hydroxyapatite-like mineral matrix that makes up cortical bone. This is particularly true for metal ions that bear a close resemblance to calcium(ii) (such as the lanthanides or alkaline earth metals), and in a few key cases this targeting ability has been exploited in order to develop medicinal agents that are intended to treat bones which have become diseased. In this review, we focus on two areas where this has been particularly effective: first is in the diagnosis and therapy of metastatic bone cancer, in which radioactive metal ions including (99m)Tc, (153)Sm, and (223)Ra are used to image, alleviate, and ablate harmful cancerous legions with good specificity versus healthy tissues; second is the use of trivalent lanthanides to treat osteoporosis, an emerging concept which has gathered significance over the last 15 years, and is now entering preclinical trials with carefully designed systems.

  4. Catalytic hydrotreating of solvent refined coal (SRC-II): the effect of metal combinations, impregnation technique and water addition on catalyst activity

    SciTech Connect

    Sahin, T.

    1983-01-01

    Solvent refined coal (SRC-II) must be catalytically hydrotreated at elevated temperatures and pressures to improve its stability and meet the feedstock requirements of conventional petroleum refineries and boilers. Once the operating conditions are set, the development of catalysts is the primary problem. Four transition metals, cobalt (Co), nickel (Ni), molybdenum (Mo) and tungsten (W), were selected as the catalytic magnets and impregnated on a 8-alumina support having large surface area and pore size. In the first stage, seven different combinations of the metals were impregnated by stepwise impregnation technique to test their hydrotreating activity. In the second stage, the most active metal combinations, Ni-Mo and Co-Mo, were subjected to three different impregnation techniques to test the effect of impregnation method on catalytic activity. The effect of the presence of 2% water in the feed on the catalytic activity was tested for every catalyst. The most active metal combinations among the seven were Ni-Mo for hydrodenitrogenation (HDN) and hydrogenation (HYD), and Co-Mo for hydrocracking (HYC). Water enhanced the activity of the catalysts containing Ni-Mo and Co-Mo combinations, but inhibited activity of the catalysts containing Ni-Mo and Ni-W combinations. In general, HYC activities of the catalysts prepared by stepwise impregnation were improved by water addition.

  5. Control of physicochemical properties and catalytic activity of tris(2,2'-bipyridine)iron(II) encapsulated within the zeolite Y cavity by alkaline earth metal cations.

    PubMed

    Martis, Martin; Mori, Kohsuke; Yamashita, Hiromi

    2014-01-21

    A series of materials containing the tris(2,2'-bipyridine)iron(ii) (Fe(bpy)3(2+)) complex inside zeolite Y cavities with alkaline earth metals (Mg(2+), Ca(2+), Sr(2+), Ba(2+)) as charge compensating cations have been synthesized via a "ship in the bottle" method. The influence of the alkaline earth metal cations on the physicochemical properties and catalytic activity was investigated. The successful formation of the Fe(bpy)3(2+) complex was verified by XRD, diffuse-reflectance UV-vis spectroscopy, and Fe K-edge XAFS measurements. The BET surface area and the Fe content decreased in the presence of the larger alkaline earth metal, but the intensity of the MLCT adsorption band of Fe(bpy)3(2+) increased with the heavier cation. The electron density of the Fe atoms decreased, and the average interatomic bond distance Fe-N/O and the coordination number increased with the heavier alkaline earth metal cation. The encapsulation of Fe(bpy)3(2+) resulted in the creation of a photocatalytic system able to oxidize styrene to benzaldehyde and styrene oxide under visible light irradiation (λ > 430 nm) in the presence of molecular oxygen.

  6. Synthesis, characterization and investigation of the photophysical and photochemical properties of highly soluble novel metal-free, zinc(II), and indium(III) phthalocyanines substituted with 2,3,6-trimethylphenoxy moieties.

    PubMed

    Gürel, Ekrem; Pişkin, Mehmet; Altun, Selçuk; Odabaş, Zafer; Durmuş, Mahmut

    2015-04-01

    This work presents the synthesis and characterization of metal-free, zinc(II), and indium(III)acetate phthalocyanines substituted with 2,3,6-trimethylphenoxy groups at the peripheral and non-peripheral positions. The photophysical (fluorescence quantum yields and lifetimes) and photochemical (singlet oxygen generation and photodegradation under light irradiation) properties of these novel phthalocyanines and unsubstituted zinc(II) and indium(III)acetate phthalocyanines were investigated in dimethylformamide solution. The effects of the types of substituents and their positions and the variety of central metal ions on the phthalocyanine core on their spectroscopic, photophysical and photochemical properties were also determined. The studied 2,3,6-trimethylphenoxy substituted metal-free, zinc(II) and indium(III)acetate phthalocyanines especially indium(III)acetate derivatives exhibited appropriate photophysical and photochemical properties such as high singlet oxygen generation and these phthalocyanines can be potential Type II photosensitizers for photodynamic therapy in cancer applications.

  7. Toxicology of wear particles of cobalt-chromium alloy metal-on-metal hip implants Part II: Importance of physicochemical properties and dose in animal and in vitro studies as a basis for risk assessment.

    PubMed

    Madl, Amy K; Kovochich, Michael; Liong, Monty; Finley, Brent L; Paustenbach, Dennis J; Oberdörster, Günter

    2015-07-01

    The objective of the Part II analysis was to evaluate animal and in vitro toxicology studies of CoCr particles with respect to their physicochemistry and dose relevance to metal-on-metal (MoM) implant patients as derived from Part I. In the various toxicology studies, physicochemical characteristics were infrequently considered and administered doses were orders of magnitude higher than what occurs in patients. Co was consistently shown to rapidly release from CoCr particles for distribution and elimination from the body. CoCr micron sized particles appear more biopersistent in vivo resulting in inflammatory responses that are not seen with similar mass concentrations of nanoparticles. We conclude, that in an attempt to obtain data for a complete risk assessment, future studies need to focus on physicochemical characteristics of nano and micron sized particles and on doses and dose metrics relevant to those generated in patients or in properly conducted hip simulator studies.

  8. Elastic and inelastic scattering of positrons in gases and solids

    NASA Technical Reports Server (NTRS)

    Mcgowan, J. W.

    1972-01-01

    Three apparatuses were designed and built: The first, which is now operative, was designed to study the details of positron thermalization in solids and the subsequent emission of the low energy positrons from moderating foils; The second apparatus now under test is a positron bottle similar in design to an electron trap. It was built to store positrons at a fixed energy and to look at the number of stored positrons (storage time) as a function of a scattering gas in the vacuum chamber. The third apparatus is a crossed beam apparatus where positron-, alkali scattering will be studied. Much of the apparatus is now under test with electrons.

  9. Development of a Positron Generator Dedicated to Materials Science Applications

    NASA Astrophysics Data System (ADS)

    Rey, Jean-Michel G.; Barthe, Marie-France; Debu, Pascal; Desgardin, Pierre; Echegut, Patrick; Liszkay, Laszlo; Pérez, Patrice; Sacquin, Yves; Visière, Serge

    Positron beams are getting increasing interest for materials science and for fundamental research. Recent progress on positron production using a compact electron accelerator made at CEA-IRFU for the GBAR experiment is providing new prospect for material analysis and non-destructive testing technology using positrons. CNRS-CEMHTI is defining a long term strategy to boost its positron laboratory using an upgraded version of the CEA positron generator manufactured by the POSITHÔT company. This new generator is designed to produce between 2 and 3 x 107 slow positrons per second to feed in parallel several experiments. It will be presented here as well as the future beam developments.

  10. Characterization of archaeal group II chaperonin-ADP-metal fluoride complexes: implications that group II chaperonins operate as a "two-stroke engine".

    PubMed

    Iizuka, Ryo; Yoshida, Takao; Ishii, Noriyuki; Zako, Tamotsu; Takahashi, Kazunobu; Maki, Kosuke; Inobe, Tomonao; Kuwajima, Kunihiro; Yohda, Masafumi

    2005-12-01

    Group II chaperonins, found in Archaea and in the eukaryotic cytosol, act independently of a cofactor corresponding to GroES of group I chaperonins. Instead, the helical protrusion at the tip of the apical domain forms a built-in lid of the central cavity. Although many studies on the lid's conformation have been carried out, the conformation in each step of the ATPase cycle remains obscure. To clarify this issue, we examined the effects of ADP-aluminum fluoride (AlFx) and ADP-beryllium fluoride (BeFx) complexes on alpha-chaperonin from the hyperthermophilic archaeum, Thermococcus sp. strain KS-1. Biochemical assays, electron microscopic observations, and small angle x-ray scattering measurements demonstrate that alpha-chaperonin incubated with ADP and BeFx exists in an asymmetric conformation; one ring is open, and the other is closed. The result indicates that alpha-chaperonin also shares the inherent functional asymmetry of bacterial and eukaryotic cytosolic chaperonins. Most interestingly, addition of ADP and BeFx induced alpha-chaperonin to encapsulate unfolded proteins in the closed ring but did not trigger their folding. Moreover, alpha-chaperonin incubated with ATP and AlFx or BeFx adopted a symmetric closed conformation, and its functional turnover was inhibited. These forms are supposed to be intermediates during the reaction cycle of group II chaperonins.

  11. A CF4 based positron trap

    NASA Astrophysics Data System (ADS)

    Marjanovic, Srdjan; Bankovic, Ana; Dujko, Sasa; Deller, Adam; Cooper, Ben; Cassidy, David; Petrovic, Zoran

    2016-05-01

    All positron buffer gas traps in use rely on N2 as the primary trapping gas due to its conveniently placed a1 Π electronic excitation cross section that is large enough to compete with positronium (Ps) formation in the threshold region. Its energy loss of 8.5 eV is sufficient to capture positrons into a potential well upon a single collision. The competing Ps formation, however, limits the efficiency of the two stage trap to 25 %. As positron moderators produce beams with energies of several eV we have proposed to use CF4 in the first stage of the trap, due to its large vibrational excitation cross section, where several vibrational excitations would be sufficient to trap the positrons with small losses. Apart from the simulations we also report the results of attempts to apply this approach to an existing Surko-type positron trap. Operating the unmodified trap as a CF4 based device proved to be unsuccessful, due primarily to excessive scattering due to high CF4 pressure in the first stage. However, the performance was consistent with subsequent simulations using the real system parameters. This agreement indicates that an efficient CF4 based scheme may be realized in an appropriately designed trap. also at Serbian Academy of Sciences and Arts, Knez Mihajlova 35, 11000 Belgrade, Serbia.

  12. Cyanide bridged hetero-metallic polymeric complexes: Syntheses, vibrational spectra, thermal analyses and crystal structures of complexes [M(1,2-dmi)2Ni(μ-CN)4]n (M = Zn(II) and Cd(II))

    NASA Astrophysics Data System (ADS)

    Kürkçüoğlu, Güneş Süheyla; Sayın, Elvan; Şahin, Onur

    2015-12-01

    Two cyanide bridged hetero-metallic complexes of general formula, [M(1,2-dmi)2Ni(μ-CN)4]n (1,2-dmi = 1,2-dimethylimidazole and M = Zn(II) or Cd(II)) have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal analyses and elemental analyses. The crystallographic analyses reveal that the complexes, [Zn(1,2-dmi)2Ni(μ-CN)4] (1) and [Cd(1,2-dmi)2Ni(μ-CN)4] (2), have polymeric 2D networks. In the complexes, four cyanide groups of [Ni(CN)4]2- coordinated to the adjacent M(II) ions and distorted octahedral geometries of complexes are completed by two nitrogen atoms of trans 1,2-dmi ligands. The structures of 1 and 2 are similar and linked via intermolecular hydrogen bonding, C-H⋯Ni interactions to give rise to 3D networks. Vibration assignments are given for all the observed bands and the spectral features also supported to the crystal structures of heteronuclear complexes. The FT-IR and Raman spectra of the complexes are very much consistent with the structural data presented.

  13. Treatment of tunnel wash waters--experiments with organic sorbent materials. Part II: Removal of toxic metals.

    PubMed

    Paruch, Adam M; Roseth, Roger

    2008-01-01

    In the first part of the article, the column and the bag experiments concerning removal of polycyclic aromatic hydrocarbons (PAHs) and nonpolar oil (NPO) from tunnel wash waters using organic sorbent materials have been described. This part presents the results of removal of toxic metals. The metals of concern (Al, As, Cd, Cr, Cu, Fe, Pb, Mo, Ni, and Zn) were selected based on the priority toxicant pollutants defined in surface water quality criteria. Concentrations of these metals in the collected effluents varied more than the concentrations of PAHs and NPO, and thus only metal contents were considered for statistical analyses. These analyses determined significant differences (P < 0.05, P < 0.01, and P < 0.001) between the mean metal concentrations in the column effluents and those in applied wash water of road tunnel. The results obtained during both experiments revealed that the organic sorbents, and in particular their combination, removed toxic metals more effectively from wash water of road tunnel than from wash water of tunnel electrostatic filters. Among the investigated toxicants, Al and Fe showed the highest levels of reduction in the column experiment, 99.7% and 99.6%, respectively. The lowest reduction levels of 66.0% and 76.2% were found for Pb and Mo, respectively. The results of the bag experiment showed that even one day treatment of wash waters from tunnel electrostatic filters could reduce concentration of some toxicants by more than 70% (Al and Fe) and 80% (Cu).

  14. Schwertmannite and Fe oxides formed by biological low-pH Fe(II) oxidation versus abiotic neutralization: Impact on trace metal sequestration

    NASA Astrophysics Data System (ADS)

    Burgos, William D.; Borch, Thomas; Troyer, Lyndsay D.; Luan, Fubo; Larson, Lance N.; Brown, Juliana F.; Lambson, Janna; Shimizu, Masayuki

    2012-01-01

    Three low-pH coal mine drainage (CMD) sites in central Pennsylvania were studied to determine similarities in sediment composition, mineralogy, and morphology. Water from one site was used in discontinuous titration/neutralization experiments to produce Fe(III) minerals by abiotic oxidative hydrolysis for comparison with the field precipitates that were produced by biological low-pH Fe(II) oxidation. Even though the hydrology and concentration of dissolved metals of the CMD varied considerably between the three field sites, the mineralogy of the three iron mounds was very similar. Schwertmannite was the predominant mineral precipitated at low-pH (2.5-4.0) along with lesser amounts of goethite. Trace metals such as Zn, Ni and Co were only detected at μmol/g concentrations in the field sediments, and no metals (other than Fe) were removed from the CMD at any of the field sites. Metal cations were not lost from solution in the field because of unfavorable electrostatic attraction to the iron mound minerals. Ferrihydrite was the predominant mineral formed by abiotic neutralization (pH 4.4-8.4, 4 d aging) with lesser amounts of schwertmannite and goethite. In contrast to low-pH precipitation, substantial metal removal occurred in the neutralized CMD. Al was likely removed as hydrobasaluminite and Al(OH) 3, and as a co-precipitate into schwertmannite or ferrihydrite. Zn, Ni and Co were likely removed via adsorption onto and co-precipitation into the freshly formed Fe and Al solids. Mn was likely removed by co-precipitation and, at the highest final pH values, as a Mn oxide. Biological low-pH Fe(II) oxidation can be cost-effectively used to pre-treat CMD and remove Fe and acidity prior to conventional neutralization techniques. A further benefit is that solids formed under these conditions may be of industrial value because they do not contain trace metal or metalloid contaminants.

  15. Gamma-induced positron annihilation spectroscopy and application to radiation-damaged alloys

    NASA Astrophysics Data System (ADS)

    Wells, D. P.; Hunt, A. W.; Tchelidze, L.; Kumar, J.; Smith, K.; Thompson, S.; Selim, F.; Williams, J.; Harmon, J. F.; Maloy, S.; Roy, A.

    2006-06-01

    .P. Wells, et al., Nucl. Instr. and Meth. B. 241 (2005) 262]. These gamma-ray photons are then either measured with a high-resolution germanium detector (PAES) or fast scintillators (PALS) and subsequently analyzed using standard positron data analysis methods. The high penetrability of few MeV photons allows one to study defects and characterize materials in thick samples up to hundreds of g/cm2 (approximately a meter in steel), a thickness that is completely inaccessible by any other non-destructive technique. We have demonstrated the proof-of-principle of these techniques to probe tensile strain in thick steel alloys and other metals, to measure positron lifetimes in bulk samples of lead, copper and aluminium with positron lifetime spectra that are free of the surface and source background lifetimes that complicate conventional positron lifetime measurements, and demonstrated the activation technique for damage studies of copper and single-crystal iron [F.A. Selim, D.P. Wells, et al., Nucl. Instr. and Meth. B 192 (2002) 197, F.A. Selim, D.P. Wells, et al., Nucl. Instru. Meth. A 495 (2002) 154, F.A. Selim, et al., J. Rad. Phys. Chem. 68 (2004) 427]. We have also demonstrated the potential application of these techniques to 3-D imaging of defect density in thick structural materials [F.A. Selim, D.P. Wells, et al., Nucl. Instr. and Meth. B 241 (2005) 253, A.W. Hunt, D.P. Wells, et al., Nucl. Instr. and Meth. B. 241 (2005) 262].

  16. Experimental Determination of Heat Transfer Within the Metal/Mold Gap in a DC Casting Mold: Part II. Effect of Casting Metal, Mold Material, and Other Casting Parameters

    NASA Astrophysics Data System (ADS)

    Prasad, Arvind; Bainbridge, Ian F.

    2013-07-01

    Extensive experimental studies were conducted to quantify the effect of different parameters that can affect the heat transfer from the metal to the mold during the steady-state phase of DC casting. In the first part previously published, the experimental technique was established and results were reported for the effect of gas type (atmosphere within the mold) and the gap between the metal and the mold. The results showed the significant effect of gas thermal conductivity and the metal-mold gap on the mold wall heat transfer coefficient. In this second publication on heat transfer in the mold wall region of a DC casting mold, the results from the effect of casting temperature, gas flow rate, casting alloy, mold material, and the mold insert material on the mold wall heat transfer coefficient are described. The experiments reported in the current paper show that these additional factors tested do not affect the heat flux through the mold wall to the same extent as the gap size or the gas type. The heat transfer coefficient changes by less than 5 pct when casting temperature is changed by ±25 K, less than 15 pct when the gas flow rate within the metal-mold gap flows at up to 3 LPM, and approximately 30 pct when the mold material is changed from stainless steel to AA601 to copper. Similar results were obtained when different insert materials were used. These results are explained with the help of an electrical analogy of heat transfer and are consistent with the heat transfer theory.

  17. Metal-pi interactions dominate in the solid-state structures of molecular heterobimetallic alkali-metal-europium(II) aryloxo complexes.

    PubMed

    Deacon, Glen B; Junk, Peter C; Moxey, Graeme J

    2009-08-01

    Treatment of Eu metal, 2,6-diphenylphenol (HOdpp), and MOdpp (M=Na, K) at elevated temperature in the presence of mercury afforded heterobimetallic complexes which were structurally characterized after crystallization from toluene. The structures of [MEu(Odpp)(3)]nPhMe (M=Na, n=1, 1; K, n=2.5, 2) consist solely of bridging aryloxide ligands and feature extensive pi-Ph-metal interactions. Rather than a heterobimetallic species, treatment of Eu metal and HOdpp with LiOdpp under similar conditions afforded a number of products, including a mixed-valent europium complex, [Eu(2)(Odpp)(3)][Eu(Odpp)(4)]4 PhMe (3). The structural framework of the [Eu(2)(Odpp)(3)](+) cation of 3 is similar to that of the molecular heterobimetallics 1 and 2, including the presence of pi-Ph-Eu interactions. The reluctance of the reaction to provide a Eu/Li heterobimetallic complex was exemplified by the simultaneous crystallization of [Eu(2)(Odpp)(4)]PhMe (6) and the homoleptic cubane [Li(4)(Odpp)(4)]2 C(6)H(14) (5) from toluene/hexane.

  18. Search for Extremely Metal-poor Galaxies in the Sloan Digital Sky Survey. (II). High Electron Temperature Objects

    NASA Astrophysics Data System (ADS)

    Sánchez Almeida, J.; Pérez-Montero, E.; Morales-Luis, A. B.; Muñoz-Tuñón, C.; García-Benito, R.; Nuza, S. E.; Kitaura, F. S.

    2016-03-01

    Extremely metal-poor (XMP) galaxies are defined to have a gas-phase metallicity smaller than a tenth of the solar value (12+{log}[{{O/H}}]< 7.69). They are uncommon, chemically and possibly dynamically primitive, with physical conditions characteristic of earlier phases of the universe. We search for new XMPs in the Sloan Digital Sky Survey (SDSS) in a work that complements Paper I. This time, high electron temperature objects are selected; metals are a main coolant of the gas, so metal-poor objects contain high-temperature gas. Using the algorithm k-means, we classify 788,677 spectra to select 1281 galaxies that have particularly intense [O III]λ4363 with respect to [O III]λ5007, which is a proxy for high electron temperature. The metallicity of these candidates was computed using a hybrid technique consistent with the direct method, rendering 196 XMPs. A less restrictive noise constraint provides a larger set with 332 candidates. Both lists are provided in electronic format. The selected XMP sample has a mean stellar mass around {10}8 {M}⊙ , with the dust mass ∼ {10}3{M}⊙ for typical star-forming regions. In agreement with previous findings, XMPs show a tendency to be tadpole-like or cometary. Their underlying stellar continuum corresponds to a fairly young stellar population (< 1 {{Gyr}}), although young and aged stellar populations coexist at the low-metallicity starbursts. About 10% of the XMPs show large N/O. Based on their location in constrained cosmological numerical simulations, XMPs have a strong tendency to appear in voids and to avoid galaxy clusters. The puzzling 2%-solar low-metallicity threshold exhibited by XMPs remains.

  19. Trapped positrons observed by PAMELA experiment

    NASA Astrophysics Data System (ADS)

    Mikhailov, V. V.; Adriani, O.; Barbarino, G.; Bazilevskaya, G. A.; Bellotti, R.; Boezio, M.; Bogomolov, E. A.; Bongi, M.; Bonvicini, V.; Bottai, S.; Bruno, A.; Cafagna, F. S.; Campana, D.; Carbone, R.; Carlson, P.; Casolino, M.; Castellini, G.; Consiglio, L.; De Santis, C.; De Simone, N.; Di Felice, V.; Galper, A. M.; Karelin, A. V.; Koldashov, S. V.; Koldobsky, S.; Krutkov, S. Yu; Kvashnin, A. N.; Leonov, A. A.; Malakhov, V. V.; Marcelli, L.; Martucci, M.; Mayorov, A. G.; Menn, W.; Merge, M.; Mocchiutti, E.; Monaco, A.; Mori, N.; Munini, R.; Osteria, G.; Papini, P.; Palma, F.; Panico, B.; Pearce, M.; Picozza, P.; Ricci, M.; Ricciarini, S. B.; Sarkar, R.; Scotti, V.; Simon, M.; Sparvoli, R.; Spillantini, P.; Stozhkov, Yu I.; Vacchi, A.; Vannuccini, E.; Vasiliev, G. I.; Voronov, S. A.; Yurkin, Yu T.; Zampa, G.; Zampa, N.

    2016-02-01

    Measurements of electron and positron spatial distributions in energy range from 80 MeV to several GeV below the geomagnetic cutoff rigidity were carried out using the PAMELA magnetic spectrometer. The instrument is installed on board the Resurs-DK satellite which was launched June 15th 2006 on an elliptical orbit with the inclination 70 degrees and the altitude 350-600 km. The procedure of trajectories calculations in the geomagnetic filed gives a way to separate stably trapped and short lived albedo components produced in interactions of cosmic ray protons with the residual atmosphere. The work presents spatial distributions of trapped, quasitrapped and short-lived albedo electrons and positrons in the near Earth space. Electron to positron ratio points out on different production mechanism of trapped and quasitrapped particles.

  20. Determination of mercury(II) ions in seafood samples after extraction and preconcentration by a novel functionalized magnetic metal-organic framework nanocomposite.

    PubMed

    Ghorbani-Kalhor, Ebrahim; Hosseinzadeh-Khanmiri, Rahim; Abolhasani, Jafar; Babazadeh, Mirzaagha; Hassanpour, Akbar

    2015-04-01

    This work describes a novel functionalized magnetic metal-organic framework nanocomposite [(Fe3O4-2,5-dimercapto-1,3,4-thiadiazole)/metal-organic framework] and its application in the preconcentration of Hg(II) ions. The parameters affecting the preconcentration procedure were optimized by a Box-Behnken design through response surface methodology. Three variables (uptake time, magnetic nanosorbent amount, and pH value) were selected as the main factors affecting the sorption step, while four variables (type, volume, and concentration of the eluent; and elution time) were selected as main factors in the optimization study of the elution step. Following the sorption and elution of analytes, the ions were quantified by cold vapor atomic absorption spectrometry. Under the optimum conditions, the limit of detection was 0.01 ng/mL and all the relative standard deviations were less than 10%. The obtained sorption capacity (in mg/g) of this new sorbent was 124. Ultimately, this nanocomposite was successfully applied to the rapid extraction of trace quantities of Hg(II) ions in seafood samples and satisfactory results were obtained.

  1. Novel oxygen chirality induced by asymmetric coordination of an ether oxygen atom to a metal center in a series of sugar-pendant dipicolylamine copperII complexes.

    PubMed

    Mikata, Yuji; Sugai, Yuko; Obata, Makoto; Harada, Masafumi; Yano, Shigenobu

    2006-02-20

    Six sugar-pendant 2,2'-dipicolylamine (DPA) ligands (L1-3 and L'1-3) have been prepared. OH-protected and unprotected D-glucose, D-mannose, and D-xylose were attached to a DPA moiety via an O-glycoside linkage. X-ray crystallography of the copper(II) complexes (1-5) with these ligands revealed that the anomeric oxygen atom is coordinated to the metal center in the solid state, generating a chiral center at the oxygen atom. The CD spectra of these copper complexes in methanol or aqueous solution exhibit Cotton effects in the d-d transition region, which indicates that the ether oxygen atoms remain coordinated to the metal center and the oxygen-atom chirality is preserved even in solution. For complexes 1 and 2, the inverted oxygen-atom chirality and chelate-ring conformation in the solid state are well correlated with the mirror-image CD spectra in methanol solution. The concomitant inversion of the asymmetric configuration around the copper center was also observed in a methanol solution of complex 3 and a pyridine solution of complex 2. The square-pyramidal/octahedral copper(II) centers also exhibited characteristic absorption and CD spectra.

  2. Globular cluster system of the galaxy. II. The spatial and metallicity distributions, the second parameter phenomenon, and the formation of the cluster system

    SciTech Connect

    Zinn, R.

    1980-10-15

    The metal abundance measurements that were collected for 84 globular clusters in the first paper of this series are used here to describe the cluster system. The ranking of the clusters by metallicity has been calibrated by a new (Fe/H) scale, which is based in part on the measurement of (Fe/H)=-1.2 for M71. According to this scale, the metal abundance gradient between the inner and outer halo clusters (i.e., R<9 kpc and 9< or =R< 40 kpc) is only a small fraction of that found with previous (Fe/H) scales. It is not clear, however, that the new scale is to be preferred over the old ones; consequently the size of this gradient remains in doubt. The most significant properties of the cluster system that do not depend on the validity of the (Fe/H) scale are the following; (i) there is a wide range in metal abundance among the cluster in the zone 9< or =R<40 kpc, but no evidence of a gradient with R or with distance from the galactic plane, Vertical BarZVertical Bar; (ii) among the clusters with R<9 kpc, there is a metal abundance gradient with Vertical BarZVertical Bar; and (iii) the magnitude of the second parameter effect increases with R, and if age is the second parameter, then over the range 0

  3. Observation of Magnetic Resonances in Electron Clouds in a Positron Storage Ring

    SciTech Connect

    Pivi, M.T.F.; Ng, J.S.T.; Cooper, F.; Kharakh, D.; King, F.; Kirby, R.E.; Kuekan, B.; Spencer, Cherrill M.; Raubenheimer, T.O.; Wang, L.F.; /SLAC

    2011-08-24

    The first experimental observation of magnetic resonances in electron clouds is reported. The resonance was observed as a modulation in cloud intensity for uncoated as well as TiN-coated aluminum surfaces in the positron storage ring of the PEP-II collider at SLAC. Electron clouds frequently arise in accelerators of positively charged particles, and severely impact the machines performance. The TiN coating was found to be an effective remedy, reducing the cloud intensity by three orders of magnitude.

  4. Synthesis and characterization of magnesium oxide nanocrystallites and probing the vacancy-type defects through positron annihilation studies

    NASA Astrophysics Data System (ADS)

    Das, Anjan; Mandal, Atis Chandra; Roy, Soma; Prashanth, Pendem; Ahamed, Sk Izaz; Kar, Subhrasmita; Prasad, Mithun S.; Nambissan, P. M. G.

    2016-09-01

    Magnesium oxide nanocrystallites exhibit certain abnormal characteristics when compared to those of other wide band gap oxide semiconductors in the sense they are most prone to water absorption and formation of a hydroxide layer on the surface. The problem can be rectified by heating and pure nanocrystallites can be synthesized with controllable sizes. Inevitably the defect properties are distinctly divided between two stages, the one with the hydroxide layer (region I) and the other after the removal of the layer by annealing (region II). The lattice parameters, the optical band gap and even the positron annihilation characteristics are conspicuous by their distinct behavior in the two stages of the surface configurations of nanoparticles. While region I was specific with the formation of positronium-hydrogen complexes that drastically altered the defect-specific positron lifetimes, pick-off annihilation of orthopositronium atoms marked region II. The vacancy clusters within the nanocrystallites also trapped positrons. They agglomerated due to the effect of the higher temperatures and resulted in the growth of the nanocrystallites. The coincidence Doppler broadening spectroscopic measurements supported these findings and all the more indicated the trapping of positrons additionally into the neutral divacancies and negatively charged trivacancies. This is apart from the Mg2+ monovacancies which acted as the dominant trapping centers for positrons.

  5. Observation of diffraction effects in positron channeling

    NASA Astrophysics Data System (ADS)

    Palathingal, J. C.; Peng, J. P.; Lynn, K. G.; Wu, X. Y.; Schultz, P. J.

    An experimental investigation of positron channeling was made with a high-angular resolution apparatus, employing positrons of kinetic energy 1 MeV, derived from the Brookhaven National Laboratory Dynamitron. The pattern of transmission through a Si(100) single crystal of thickness 0.245 mu m was investigated for a number of major planes. The authors have observed for the first time, in excellent detail, the fine structure of the channeling pattern expected to arise from the particle diffraction effects, theoretically explainable in terms of the quantum-mechanical many-beam calculations.

  6. Apparatus for photon activation positron annihilation analysis

    DOEpatents

    Akers, Douglas W.

    2007-06-12

    Non-destructive testing apparatus according to one embodiment of the invention comprises a photon source. The photon source produces photons having predetermined energies and directs the photons toward a specimen being tested. The photons from the photon source result in the creation of positrons within the specimen being tested. A detector positioned adjacent the specimen being tested detects gamma rays produced by annihilation of positrons with electrons. A data processing system operatively associated with the detector produces output data indicative of a lattice characteristic of the specimen being tested.

  7. Heuristic theory of positron-helium scattering.

    NASA Technical Reports Server (NTRS)

    Drachman, R. J.

    1971-01-01

    An error in a previous modified adiabatic approximation (Drachman, 1966), due to a lack of generality in the form of the short-range correlation part of the wave function for L greater than zero, is corrected heuristically by allowing the monopole suppression parameter to depend on L. An L-dependent local potential is constructed to fit the well-known positron-hydrogen s, p, and d wave phase shifts below the rearrangement threshold. The same form of potential yields a positron-helium cross-section in agreement with a recent experimental measurement near threshold.

  8. NLC Positron Target Heating(LCC-0065)

    SciTech Connect

    Schultz, D

    2003-10-07

    The NLC requires an intense beam with a large number of positrons. These positrons are produced by a high energy electron beam impinging on a solid tungsten-rhenium alloy target. The particle shower that develops in the solid target deposits significant energy in the material, leading to target stresses and potentially to target damage. The stresses can be analyzed once the magnitude and extent of the energy deposition is known. This note details the modeling of the energy deposition using EGS, performed for the NLC and the SLC targets and for possible NLC targets made of copper or nickel instead of WRe.

  9. Cold positrons from decaying dark matter

    NASA Astrophysics Data System (ADS)

    Boubekeur, Lotfi; Dodelson, Scott; Vives, Oscar

    2012-11-01

    Many models of dark matter contain more than one new particle beyond those in the Standard Model. Often, heavier particles decay into the lightest dark matter particle as the Universe evolves. Here, we explore the possibilities which arise if one of the products in a (heavyparticle)→(darkmatter) decay is a positron, and the lifetime is shorter than the age of the Universe. The positrons cool down by scattering off the cosmic microwave background and eventually annihilate when they fall into Galactic potential wells. The resulting 511 keV flux not only places constraints on this class of models, but might even be consistent with that observed by the INTEGRAL satellite.

  10. Launch Vehicle Fire Accident Preliminary Analysis of a Liquid-Metal Cooled Thermionic Nuclear Reactor: TOPAZ-II

    NASA Astrophysics Data System (ADS)

    Hu, G.; Zhao, S.; Ruan, K.

    2012-01-01

    In this paper, launch vehicle propellant fire accident analysis of TOPAZ-II reactor has been done by a thermionic reactor core analytic code-TATRHG(A) developed by author. When a rocket explodes on a launch pad, its payload-TOPAZ-II can be subjected to a severe thermal environment from the resulting fireball. The extreme temperatures associated with propellant fires can create a destructive environment in or near the fireball. Different kind of propellants - liquid propellant and solid propellant which will lead to different fire temperature are considered. Preliminary analysis shows that the solid propellant fires can melt the whole toxic beryllium radial reflector.

  11. Synthesis, characterization and biological activities of metal(II) dipicolinate complexes derived from pyridine-2,6-dicarboxylic acid and 2-(piperazin-1-yl)ethanol

    NASA Astrophysics Data System (ADS)

    Büyükkıdan, Nurgün; Yenikaya, Cengiz; İlkimen, Halil; Karahan, Ceyda; Darcan, Cihan; Korkmaz, Tülin; Süzen, Yasemin

    2015-12-01

    The new water-soluble and air stable compounds (H2ppz)[Co(dipic)2]·6H2O (1), (H2ppz)[Ni(dipic)2]·6H2O (2) and (H2ppz)[Zn(dipic)2]·6H2O (3) were prepared by the reaction of corresponding metal(II) acetates and a proton transfer salt, (H2ppz) (Hdipic)2, (4) of pyridine-2,6-dicarboxylic acid (H2dipic) and 2-(piperazin-1-yl)ethanol (ppz). The compounds 1-3 were characterized by elemental, IR, UV-vis. thermal analyses, magnetic measurement and single crystal X-ray diffraction studies. The molecular structures of the title compounds consist of one 1-(2-hydroxyethyl)piperazine-1,4-diium (H2ppz+2) cation, one bis(pyridine-2,6-dicarboxylate)metal(II) [M(dipic)2]2- anion, and six uncoordinated water molecules. In compounds 1-3 the metal ions coordinate to two oxygen and one nitrogen atoms of two pyridine-2,6-dicarboxylate molecules forming an octahedral environment. Antimicrobial activities against Gram (-) wild type (Escherichia coli and Pseudomonas aeruginosa), Gram (+) wild type (Staphylococcus aureus, Staphylococcus epidermidis, Bacillus cereus and Bacillus subtilis) and clinical isolate (Morganella morganii, Proteus vulgaris and Enterobacter aeruginosa) were also studied. The results were reported, discussed and compared with the corresponding starting materials ((H2ppz) (Hdipic)2 (4), H2dipic and ppz). MIC (Minimal Inhibition Concentration) values of the newly synthesized compounds were determined as 4000 μg/ml (except B. subtilis and clinical isolate E. aeruginosa, >4000 μg/ml).

  12. Thiolate bridging and metal exchange in adducts of a zinc finger model and Pt(II) complexes: biomimetic studies of protein/Pt/DNA interactions.

    PubMed

    Almaraz, Elky; de Paula, Queite A; Liu, Qin; Reibenspies, Joseph H; Darensbourg, Marcetta Y; Farrell, Nicholas P

    2008-05-14

    To provide precedents for the possible interactions of platinum DNA adducts with zinc finger proteins, the complexes [Pt(dien)Cl]Cl (dien = diethylenetriamine) and [Pt(terpy)Cl]Cl (terpy = 2,2':6',2''-terpyridine) were exposed to the N,N'-bis(2-mercaptoethyl)-1,4-diazacycloheptanezinc(II) dimer, [Zn(bme-dach)]2, and the products defined by electrospray ionization mass spectrometry (ESI-MS), X-ray crystallography and (195)Pt NMR spectroscopy. The presence of a leaving chloride in both platinum(II) complexes facilitates electrophilic substitution involving sulfur-containing zinc finger synthetic models or, as in previous studies, zinc finger peptidic sequences. Monitored via ESI-MS, both reactants yielded evidence for Zn-(mu-SR)-Pt bridges followed by zinc ejection from the N2S2 coordination sphere and subsequent formation of a trimetallic Zn-(mu-SR)2-Pt-(mu-SR)2-Zn-bridged species. The isolation of Zn-(mu-SR)-Pt-bridged species [(Zn(bme-dach)Cl)(Pt(dien))]Cl is, to our knowledge, the first Zn-Pt bimetallic thiolate-bridged model demonstrating the interaction between Zn-bound thiolates and Pt(2+). In the case of the [Pt(terpy)Cl]Cl reaction with the [Zn(bme-dach)]2, ESI-MS analysis further suggests metal exchange by formation of [Zn(terpy)Cl](+), whereas the [Pt(dien)Cl]Cl reaction does not yield the corresponding [Zn(dien)Cl](+) ion. Direct synthesis of the Zn-Pt thiolate-bridged species and the Pt(N2S2) chelate, where Pt has displaced the Zn from the chelate core, permitted the isolation of X-ray-quality crystals to confirm the bridging and metal-exchanged structures. The ESI-MS, (195)Pt NMR spectroscopy, and molecular structures of the di- and trinuclear complexes will be discussed, as they provide insight into the metal-exchange mechanism.

  13. Synthesis, Characterization, Antioxidant, and Antibacterial Studies of Some Metal(II) Complexes of Tetradentate Schiff Base Ligand: (4E)-4-[(2-{(E)-[1-(2,4-Dihydroxyphenyl)ethylidene]amino}ethyl)imino]pentan-2-one

    PubMed Central

    Ejidike, Ikechukwu P.; Ajibade, Peter A.

    2015-01-01

    Co(II), Ni(II), Cu(II), and Zn(II) complexes of (4E)-4-[(2-{(E)-[1-(2,4-dihydroxyphenyl)ethylidene]amino}ethyl)imino]pentan-2-one have been synthesized and characterized by elemental analyses, molar conductance, electronic and IR spectral studies, and XRD. FTIR confirmed the ligand coordinates the metal ion to form mononuclear complex via the oxygen and nitrogen atoms of the phenolic group and azomethine group, respectively. Tetrahedral geometry is proposed for Co(II) complex and square-planar geometry for Ni(II) and Cu(II) complexes. The antibacterial studies of the compounds were determined and they show that the metal complexes are more active than the free ligands. The antioxidant activity by DPPH and ABTS method was examined and it shows Cu(II); IC50 = 2.31 ± 1.54 µM for DPPH and Co(II); IC50 = 1.83 ± 1.08 µM for ABTS were the most active. PMID:26074738

  14. Hydrolysis mechanisms of BNPP mediated by facial copper(II) complexes bearing single alkyl guanidine pendants: cooperation between the metal centers and the guanidine pendants.

    PubMed

    Zhang, Xuepeng; Liu, Xueping; Phillips, David Lee; Zhao, Cunyuan

    2016-01-28

    The hydrolysis mechanisms of DNA dinucleotide analogue BNPP(-) (bis(p-nitrophenyl) phosphate) catalyzed by mononuclear/dinuclear facial copper(ii) complexes bearing single alkyl guanidine pendants were investigated using density functional theory (DFT) calculations. Active catalyst forms have been investigated and four different reaction modes are proposed accordingly. The [Cu2(L(1))2(μ-OH)](3+) (L(1) is 1-(2-guanidinoethyl)-1,4,7-triazacyclononane) complex features a strong μ-hydroxo mediated antiferromagnetic coupling between the bimetallic centers and the corresponding more stable open-shell singlet state. Three different reaction modes involving two catalysts and a substrate were proposed for L(1) entries and the mode 1 in which an inter-complex nucleophilic attack by a metal bound hydroxide was found to be more favorable. In the L(3)-involved reactions (L(3) is 1-(4-guanidinobutyl)-1,4,7-triazacyclononane), the reaction mode in which an in-plane intracomplex scissoring-like nucleophilic attack by a Cu(ii)-bound hydroxide was found to be more competitive. The protonated guanidine pendants in each proposed mechanism were found to play crucial roles in stabilizing the reaction structures via hydrogen bonds and in facilitating the departure of the leaving group via electrostatic attraction. The calculated results are consistent with the experimental observations that the Cu(ii)-L(3) complexes are hydrolytically more favorable than their L(1)-involved counterparts. PMID:26688285

  15. Light-induced copper(II) coordination by a bicyclic tetraaza chelator through a ligand-to-metal charge-transfer reaction.

    PubMed

    Holm-Jørgensen, Jacob R; Jensen, Mikael; Bjerrum, Morten J

    2011-12-19

    To enable utilization of the broad potential of copper isotopes in nuclear medicine, rapid and robust chelation of the copper is required. Bowl adamanzanes (bicyclic tetraaza ligands) can form kinetically stable copper complexes, but they are usually formed at low rates unless high pH values and high temperatures are applied. We have investigated the effects of the variation in the pH, different anions, and UV irradiation on the chelation rate. UV spectra of mixtures of Cu(2+) and [2(4).3(1)]adz in water show the existence of a long-lived two-coordinated copper(II) intermediate (only counting coordinated amine groups) at pH above 6. These findings are supported by pH titrations of mixtures of Cu(2+) and [2(4).3(1)]adz in water. Irradiation of this complex in the ligand-to-metal charge-transfer (LMCT) band by a diode-array spectrophotometer leads to photodeprotonation and subsequently to formation of the four-coordinated copper(II) complex at a rate up to 7800-fold higher at 25 °C than in the dark. Anions in the solution were found to have three major effects: competitive inhibition due to Cu(II) binding anions, inhibition of the photoinduced transchelation from UV-absorbing anions, and photoredox inhibition from acido ligands capable of acting as electron donors in LMCT reactions. Dissolved O(2) was also found to result in photoredox inhibition.

  16. The binding energies of one and two water molecules to the first transition-row metal positive ions. II

    NASA Technical Reports Server (NTRS)

    Rosi, Marzio; Bauschlicher, Charles W., Jr.

    1990-01-01

    The present investigation of H2O's binding energy to transition-metal ions proceeds from the D(2h) structure and bends the two water molecules out of plane. The molecule is constrained to have C(2v) symmetry, so that each water molecule and metal ion lies on a plane. The ground states are bent only for Mn(H2O)2(+) and Zn(H2O)2(+), where only 4s4p hybridization is energetically favorable; 4s4p hybridization reduces repulsion.

  17. Insights into dehydrogenative coupling of alcohols and amines catalyzed by a (PNN)-Ru(II) hydride complex: unusual metal-ligand cooperation.

    PubMed

    Zeng, Guixiang; Li, Shuhua

    2011-11-01

    Density functional theory calculations were performed to elucidate the mechanism of dehydrogenative coupling of primary alcohols and amines mediated by a PNN-Ru(II) hydride complex (PNN = (2-(di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine)). A plausible reaction pathway was proposed which contains three stages: (1) The alcohol dehydrogenation reaction to generate the aldehyde and H(2); (2) The aldehyde-amine condensation reaction to form the hemiaminal intermediate; (3) The dehydrogenation process of the hemiaminal intermediate to yield the final amide product with the liberation of H(2). The first and third stages occur via a similar pathway: (a) Proton transfer from the substrate to the PNN ligand; (b) Intramolecular rearrangement of the deprotonated substrate to form an anagostic complex; (c) Hydride transfer from the deprotonated substrate to the Ru center to yield the trans-dihydride intermediate and the aldehyde (or amide); (d) Benzylic proton migration from the PNN ligand to the metal center forming a dihydrogen complex and subsequent H(2) liberation to regenerate the catalyst. In all these steps, the metal-ligand cooperation plays an essential role. In proton transfer steps (a) and (d), the metal-ligand cooperation is achieved through the aromatization/dearomatization processes of the PNN ligand. While in steps (b) and (c), their collaboration are demonstrated by the formation of an anagostic interaction between Ru and the C-H bond and two ionic hydrogen bonds supported by the PNN ligand. PMID:21942421

  18. Two-dimensional self-assembly of a porphyrin-polypyridyl ruthenium(II) hybrid on hopg surface through metal-ligand interactions.

    PubMed

    Gao, Aimei; Miao, Xinrui; Liu, Jie; Zhao, Ping; Huang, Jinwang; Deng, Wenli

    2010-06-21

    The synthesis and self-assembly behavior of porphyrin-polypyridyl ruthenium(II) hybrid, which consists of a flexible alkyl chain attached with two conjugated moieties is described. The electronic absorption spectrum and emission spectra show that the [C(8)-TPP-(ip)Ru(phen)(2)](ClO(4))(2), abbreviated as (C(8)ip)TPPC has optical properties. Scanning tunneling microscopy (STM) studies found that the pi-pi interaction and metal-ligand interaction allow (C(8)ip)TPPC to form self-assembled structure and have an edge-on orientation on the highly oriented pyrolytic graphite (HOPG) surface. The multidentate structure in (C(8)ip)TPPC molecules act as linkers between the molecules and form metal-ligand coordination, which forces the assembly process in the direction of stable columnar arrays. In addition, although the sample was stored for two months in ambient conditions, STM experiments showed that the order of (C(8)ip)TPPC self-assembly only slightly decreased which indicates that the self-assembled monolayer is stable. This work demonstrates that introducing a metal-ligand in the porphyrin-polypyridyl compound is a useful strategy to obtain novel surface assemblies.

  19. Influence of activated-carbon-supported transition metals on the decomposition of polychlorobiphenyls. Part II: Chemical and physical characterization and mechanistic study.

    PubMed

    Sun, Yifei; Liu, Lina; Oshita, Kazuyuki; Zeng, Xiaolan; Wang, Wei; Zhang, Yibo

    2016-09-01

    This paper studies the synergism between transition metals (TMs) and activated carbon (AC) as a catalyst support used in the catalytic decomposition of PCBs. A series of AC-supported TM catalysts was prepared according to two distinct methods: impregnation and ion exchange which were defined as LaTM-C and IRTM-C, respectively. The catalytic reactions between 2,2',4,4',5,5'-hexachlorobiphenyl (PCB-153) and AC-supported Fe, Ni, Cu and Zn catalysts were conducted under N2 atmosphere. Changes in the nature of the catalysts as well as the decomposition mechanism of PCB-153 are discussed. Important findings include: (i) a higher metal concentration and a better metal distribution on AC is realized using ion-exchange, despite a lower AC specific surface area, (ii) IRTM-C had better effects on the decomposition of PCB-153 than LaTM-C, (iii) the role of Ni, Cu, and Fe as electron donors in PCB dechlorination was evaluated vs. the stability of Zn, and (iv) both temperature and chemical composition of TM catalysts influenced the decomposition efficiency of PCBs.

  20. Influence of activated-carbon-supported transition metals on the decomposition of polychlorobiphenyls. Part II: Chemical and physical characterization and mechanistic study.

    PubMed

    Sun, Yifei; Liu, Lina; Oshita, Kazuyuki; Zeng, Xiaolan; Wang, Wei; Zhang, Yibo

    2016-09-01

    This paper studies the synergism between transition metals (TMs) and activated carbon (AC) as a catalyst support used in the catalytic decomposition of PCBs. A series of AC-supported TM catalysts was prepared according to two distinct methods: impregnation and ion exchange which were defined as LaTM-C and IRTM-C, respectively. The catalytic reactions between 2,2',4,4',5,5'-hexachlorobiphenyl (PCB-153) and AC-supported Fe, Ni, Cu and Zn catalysts were conducted under N2 atmosphere. Changes in the nature of the catalysts as well as the decomposition mechanism of PCB-153 are discussed. Important findings include: (i) a higher metal concentration and a better metal distribution on AC is realized using ion-exchange, despite a lower AC specific surface area, (ii) IRTM-C had better effects on the decomposition of PCB-153 than LaTM-C, (iii) the role of Ni, Cu, and Fe as electron donors in PCB dechlorination was evaluated vs. the stability of Zn, and (iv) both temperature and chemical composition of TM catalysts influenced the decomposition efficiency of PCBs. PMID:27320438

  1. Positron emission tomography - a new approach to brain chemistry

    SciTech Connect

    Jacobson, H.G.

    1988-11-11

    Positron emission tomography permits examination of the chemistry of the brain in living beings. Until recently, positron emission tomography had been considered a research tool, but it is rapidly moving into clinical practice. This report describes the uses and applications of positron emission tomography in examinations of patients with strokes, epilepsy, malignancies, dementias, and schizophrenia and in basic studies of synaptic neurotransmission.

  2. Physics perspectives at JLab with a polarized positron beam

    SciTech Connect

    Voutier, Eric J.-M.

    2014-06-01

    Polarized positron beams are in some respect mandatory complements to polarized electron beams. The advent of the PEPPo concept for polarized positron production opens the possibility for the developement at the Jefferson Laboratory of a continuous polarized positron beam. The benefits of such a beam for hadronic structure studies are discussed, together with the technical and technological challenges to face.

  3. Recovery and concentration of metal ions. 4: Uphill transport of Zn(II) in a multimembrane hybrid system

    SciTech Connect

    Wodzki, R.; Sionkowski, G.; Pozniak, G.

    1999-02-01

    A study has been made on the uphill transport of zinc cations across a multimembrane hybrid system (MHS) composed of two ion-exchange membranes (IEM) separated by a bulk liquid membrane (BLM). The fluxes of the Zn(II)/H countertransport were investigated as dependent on the composition and structure of ion-exchange polymer membranes (i), the solvent of a liquid membrane (II), the feed and strip membrane area ratio (iii), and the pH of the feed solution (iv). The IEMs of various ionogenic groups (sulfonic acid, carboxylic acid, quaternized amine) and of various structure (clustered, gelatinous, porous) were examined in the MHS containing the BLM with di(2-ethylhexyl)phosphoric acid as a carrier of Zn(II) cations. It has been found that the Zn(II) fluxes are dependent on the properties of both the BLM and polymer membranes, i.e., on the BLM solvent viscosity (i), the nature and concentration of the IEM ion-exchange sites (ii), and the IEM thickness (iii). The best results were obtained when using hexane as the BLM solvent and the Nafion-117 membrane (perfluorinated polymer, sulfonic acid groups) as the cation-exchange membrane (CEM). The influence of the area ratio (feed-to-strip interface) has been checked for A{sub f}/A{sub g} equal to 3:1, 1:1, and 1:3. It was found that the asymmetry of the system leads mainly to some changes in the accumulation of transported species in a liquid membrane phase.

  4. Formamide-based synthesis of nucleobases by metal(II) octacyanomolybdate(IV): implication in prebiotic chemistry.

    PubMed

    Kumar, Anand; Sharma, Rachana; Kamaluddin

    2014-09-01

    We propose that double metal cyanides that formed in primeval seas might have played a vital role in chemical evolution and the origin of life. An array of metal octacyanomolybdates (MOCMos) has been synthesized, and their role as catalyst in the formation of nucleobases from formamide has been studied. Formamide, a hydrolysis product of HCN, was taken as starting material for the formation of nucleobases. Recent studies support the presence of formamide on some celestial bodies. Metal octacyanomolybdates, MOCMos (M = Mn, Fe, Co, Ni, Cu, Zn, Cd), are found to be highly efficient catalysts in the conversion of formamide into different nucleobases. Neat formamide is converted to purine, 4(3H)-pyrimidinone, cytosine, adenine, 9-(hydroxyacetyl)-purine, and thymine in good yield when using MOCMos. The products formed were characterized by high-performance liquid chromatography and electrospray ionization mass spectrometry techniques. The results of our study show that insoluble double metal cyanides might have acted as efficient catalysts in the synthesis of various biologically important compounds (e.g., purines, pyrimidines) under primeval seas on Earth or elsewhere in our solar system.

  5. Military Curricula for Vocational & Technical Education. Metals Processing Specialist, Blocks I and II, Classroom Course 13-5.

    ERIC Educational Resources Information Center

    Ohio State Univ., Columbus. National Center for Research in Vocational Education.

    These curriculum materials are the first section of a four-part, secondary-postsecondary-level course in metals processing. The course is one of a number of military-developed curriculum packages selected for adaptation to vocational instruction and curriculum development in a civilian setting. Block I, Introduction to Oxyacetylene Welding,…

  6. THE FATE OF TRACE METALS IN A ROTARY KILN INCINERATOR WITH A VENTURI/PACKED COLUMN SCRUBBER - VOLUME II: APPENDICES

    EPA Science Inventory

    A 5-week series of pilot-scale incineration tests, employing a synthetic waste feed, was performed at the U.S. Environmental Protection Agency's Incineration Research Facility to evaluate the fate of trace metals fed to a rotary kiln incinerator equipped with a venturi scrubber/p...

  7. 40 CFR Appendix I to Part 266 - Tier I and Tier II Feed Rate and Emissions Screening Limits for Metals

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Terrain Terrain adjusted eff. stack ht. (m) Antimony (g/hr) Barium (g/hr) Lead (g/hr) Mercury (g/hr... Limits for Noncarcinogenic Metals for Facilities in Noncomplex Terrain Terrain adjusted eff. stack ht. (m... Complex Terrain Values for urban and rural areas Terrain adjusted eff. stack ht. (m) Antimony...

  8. Formamide-based synthesis of nucleobases by metal(II) octacyanomolybdate(IV): implication in prebiotic chemistry.

    PubMed

    Kumar, Anand; Sharma, Rachana; Kamaluddin

    2014-09-01

    We propose that double metal cyanides that formed in primeval seas might have played a vital role in chemical evolution and the origin of life. An array of metal octacyanomolybdates (MOCMos) has been synthesized, and their role as catalyst in the formation of nucleobases from formamide has been studied. Formamide, a hydrolysis product of HCN, was taken as starting material for the formation of nucleobases. Recent studies support the presence of formamide on some celestial bodies. Metal octacyanomolybdates, MOCMos (M = Mn, Fe, Co, Ni, Cu, Zn, Cd), are found to be highly efficient catalysts in the conversion of formamide into different nucleobases. Neat formamide is converted to purine, 4(3H)-pyrimidinone, cytosine, adenine, 9-(hydroxyacetyl)-purine, and thymine in good yield when using MOCMos. The products formed were characterized by high-performance liquid chromatography and electrospray ionization mass spectrometry techniques. The results of our study show that insoluble double metal cyanides might have acted as efficient catalysts in the synthesis of various biologically important compounds (e.g., purines, pyrimidines) under primeval seas on Earth or elsewhere in our solar system. PMID:25192494

  9. Propagation of solitary waves in relativistic electron-positron-ion plasmas with kappa distributed electrons and positrons

    SciTech Connect

    Shah, Asif; Mahmood, S.; Haque, Q.

    2011-11-15

    Electrostatic ion acoustic solitary waves are studied in a plasma system comprising of relativistic ions, kappa distributed electrons, and positrons. The increase in the relativistic streaming factor and positron and electron kappa parameters cause the soliton amplitude to thrive. However, the soliton amplitude diminishes as the positron concentration is increased in the system. Our results are general and may be helpful, in understanding nonlinear phenomena in the presence of kappa distibuted electrons, positrons, and relativistically streaming ions.

  10. Application of mathematical removal of positron range blurring in Positron Emission Tomography

    SciTech Connect

    Haber, S.F.; Derenzo, S.E.; Uber, D.

    1990-04-01

    The range of positrons in tissue is an important limitation to the ultimate spatial resolution achievable in Positron Emission Tomography. In this work we applied a Fourier deconvolution technique to remove range blurring in images taken by the Donner 600-Crystal Positron Tomograph. Using phantom data, we found significant improvement in the image quality and the FWHM for both {sup 68}Ga and {sup 82}Rb. These were successfully corrected so that the images and FWHM almost matched those of {sup 18}F which has negligible positron range. However, statistical noise was increased by the deconvolution process and it was not practical to recover the full spatial resolution of the tomograph. 10 refs., 6 figs., 3 tabs.

  11. Application of mathematical removal of positron range blurring in positron emission tomography

    SciTech Connect

    Haber, S.F.; Derenzo, S.E.; Uber, D. )

    1990-06-01

    The range of positrons in tissue is an important limitation to the ultimate spatial resolution achievable in positron emission tomography. In this work the authors have applied a Fourier deconvolution technique to remove range blurring in images taken by the Donner 600-crystal positron tomograph. Using phantom data, the authors have found significant improvement in the image quality and the FWHM for both {sup 68}Ga and {sup 82}Rb. These were successfully corrected so that the images and FWHM almost matched those of {sup 18}F which has negligible positron range. However, statistical noise was increased by the deconvolution process and it was not practical to recover the full spatial resolution of the tomograph.

  12. Evolution and nucleosynthesis of extremely metal-poor and metal-free low- and intermediate-mass stars. II. s-process nucleosynthesis during the core He flash

    NASA Astrophysics Data System (ADS)

    Campbell, S. W.; Lugaro, M.; Karakas, A. I.

    2010-11-01

    Context. Models of primordial and hyper-metal-poor stars that have masses similar to the Sun are known to experience an ingestion of protons into the hot core during the core helium flash phase at the end of their red giant branch evolution. This produces a concurrent secondary flash powered by hydrogen burning that gives rise to further nucleosynthesis in the core. Aims: We aim to model the nucleosynthesis occurring during the proton ingestion event to ascertain if any significant neutron-capture nucleosynthesis occurs. Methods: We perform post-process nucleosynthesis calculations on a one-dimensional stellar evolution calculation of a star with mass 1 M_⊙ and a metallicity of [Fe/H] = -6.5 that suffers a proton ingestion episode. Our network includes 320 nuclear species and 2366 reactions and treats mixing and burning simultaneously. Results: We find that the mixing and burning of protons into the hot convective core leads to the production of 13C, which then burns via the 13C(α, n)16O reaction, releasing a large number of free neutrons. During the first two years of neutron production the neutron poison 14N abundance is low, allowing the prodigious production of heavy elements such as strontium, barium, and lead via slow neutron captures (the s process). These nucleosynthetic products are later carried to the stellar surface and ejected via stellar winds. We compare our results with observations of the hyper-metal-poor halo star HE 1327-2326, which shows a strong Sr overabundance. Conclusions: Our model provides the possibility of self-consistently explaining the Sr overabundance in HE 1327-2326 together with its C, N, and O overabundances (all within a factor of ˜ ~4) if the material were heavily diluted, for example, via mass transfer in a wide binary system. The model produces at least 18 times too much Ba than observed, but this may be within the large modelling uncertainties. In this scenario, binary systems of low mass must have formed in the early

  13. Progress Towards a Practical Multicell Positron Trap

    NASA Astrophysics Data System (ADS)

    Danielson, J. R.

    2013-10-01

    The physics and technology of positron confinement is central to a range of applications at the forefront of antimatter science. Progress in this area has been driven by the development of a suite of novel non-neutral plasma techniques whereby up to 4 ×109 positrons have now been trapped and stored. However the next generation of experiments will require orders of magnitude more positrons. This talk describes techniques to increase storage capacity to >=1012 using a novel multi-cell trap architecture. Plasmas will be stored in separate Penning-Malmberg traps (``cells'') arranged in parallel off the magnetic axis to maximize use of the magnetic field volume while minimizing the required confinement voltages. Experiments with electrons in a test structure will be described to explore the basic physics and technology of the multicell concept and to set the design of a 21-cell trap for 1012 positrons. Over 50% of a trapped plasma has been injected into an off-axis cell, and hour-long confinement of 2 ×108 particles has been achieved using rotating electric fields. Experiments are under way to identify the limits of the injection process and demonstrate confinement >1010 particles in a single off-axis cell using kilovolt confinement potentials. In collaboration with N. C. Hurst, C. J. Baker, and C. M. Surko. This work is supported by U.S. DTRA and the U.S. DOE/NSF plasma partnership.

  14. Positron elastic scattering from alkaline earth targets

    NASA Astrophysics Data System (ADS)

    Poveda, Luis A.; Assafrão, Denise; Mohallem, José R.

    2016-07-01

    A previously reported model potential approach [Poveda et al., Phys. Rev. A 87, 052702 (2013)] was extended to study low energy positron elastic scattering from beryllium and magnesium. The cross sections were computed for energies ranging from 10-5 eV up to well above the positronium formation threshold. The present results are in good agreement with previous reports, including the prediction of a p-wave resonance in the cross section for magnesium. The emergence of this shape resonance is connected to a trend observed in the evolution of the partial wave cross section in going from Be to Mg target. This trend lead us to speculate that a sharp d-wave resonance should be observed in positron elastic scattering from calcium. The positron-target binding energies are investigated in detail, both using the scattering information and by direct computation of the bound state energies using the model potentials. Contribution to the Topical Issue "Advances in Positron and Electron Scattering", edited by Paulo Limao-Vieira, Gustavo Garcia, E. Krishnakumar, James Sullivan, Hajime Tanuma and Zoran Petrovic.Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjd/e2016-70120-y

  15. Positron source position sensing detector and electronics

    DOEpatents

    Burnham, Charles A.; Bradshaw, Jr., John F.; Kaufman, David E.; Chesler, David A.; Brownell, Gordon L.

    1985-01-01

    A positron source, position sensing device, particularly with medical applications, in which positron induced gamma radiation is detected using a ring of stacked, individual scintillation crystals, a plurality of photodetectors, separated from the scintillation crystals by a light guide, and high resolution position interpolation electronics. Preferably the scintillation crystals are several times more numerous than the photodetectors with each crystal being responsible for a single scintillation event from a received gamma ray. The light guide will disperse the light emitted from gamma ray absorption over several photodetectors. Processing electronics for the output of the photodetectors resolves the location of the scintillation event to a fraction of the dimension of each photodetector. Because each positron absorption results in two 180.degree. oppositely traveling gamma rays, the detection of scintillation in pairs permits location of the positron source in a manner useful for diagnostic purposes. The processing electronics simultaneously responds to the outputs of the photodetectors to locate the scintillations to the source crystal. While it is preferable that the scintillation crystal include a plurality of stacked crystal elements, the resolving power of the processing electronics is also applicable to continuous crystal scintillators.

  16. Excitation of helium ion by positron impact

    SciTech Connect

    Khan, P.; Ghosh, A.S.

    1986-01-01

    Three (1s,2s,2p) and five (1s,2s,2p,3s-bar,3p-bar) -state close-coupling methods have been employed to calculate the n = 2 excitation cross sections of helium ion by positron impact. The effect of pseudostate is found to be very pronounced in the case of 1s-2s excitation.

  17. Positron Interactions with Atoms and Ions

    NASA Technical Reports Server (NTRS)

    Bhatia, Anand K.

    2012-01-01

    Dirac, in 1928, combining the ideas of quantum mechanics and the ideas of relativity invented the well-known relativistic wave equation. In his formulation, he predicted an antiparticle of the electron of spin n-bar/2. He thought that this particle must be a proton. Dirac published his interpretation in a paper 'A theory of electrons and protons.' It was shown later by the mathematician Hermann Weyl that the Dirac theory was completely symmetric between negative and positive particles and the positive particle must have the same mass as that of the electron. In his J. Robert Oppenheimer Memorial Prize Acceptance Speech, Dirac notes that 'Blackett was really the first person to obtain hard evidence for the existence of a positron but he was afraid to publish it. He wanted confirmation, he was really over cautious.' Positron, produced by the collision of cosmic rays in a cloud chamber, was detected experimentally by Anderson in 1932. His paper was published in Physical Review in 1933. The concept of the positron and its detection were the important discoveries of the 20th century. I have tried to discuss various processes involving interactions of positrons with atoms and ions. This includes scattering, bound states and resonances. It has not been possible to include the enormous work which has been carried out during the last 40 or 50 years in theory and measurements.

  18. Positrons observed to originate from thunderstorms

    NASA Astrophysics Data System (ADS)

    Fishman, Gerald J.

    2011-05-01

    Thunderstorms are the result of warm, moist air moving rapidly upward, then cooling and condensing. Electrification occurs within thunderstorms (as noted by Benjamin Franklin), produced primarily by frictional processes among ice particles. This leads to lightning discharges; the types, intensities, and rates of these discharges vary greatly among thunderstorms. Even though scientists have been studying lightning since Franklin's time, new phenomena associated with thunderstorms are still being discovered. In particular, a recent finding by Briggs et al. [2011], based on observations by the Gamma-Ray Burst Monitor (GBM) instrument on NASA's satellite-based Fermi Gamma-ray Space Telescope (Fermi), shows that positrons are also generated by thunderstorms. Positrons are the antimatter form of electrons—they have the same mass and charge as an electron but are of positive rather than negative charge; hence the name positron. Observations of positrons from thunderstorms may lead to a new tool for understanding the electrification and high-energy processes occurring within thunderstorms. New theories, along with new observational techniques, are rapidly evolving in this field.

  19. Advanced Instrumentation for Positron Emission Tomography [PET

    DOE R&D Accomplishments Database

    Derenzo, S. E.; Budinger, T. F.

    1985-04-01

    This paper summarizes the physical processes and medical science goals that underlay modern instrumentation design for Positron Emission Tomography. The paper discusses design factors such as detector material, crystalphototube coupling, shielding geometry, sampling motion, electronics design, time-of-flight, and the interrelationships with quantitative accuracy, spatial resolution, temporal resolution, maximum data rates, and cost.

  20. 21 CFR 892.1110 - Positron camera.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 8 2011-04-01 2011-04-01 false Positron camera. 892.1110 Section 892.1110 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICAL.... This generic type of device may include signal analysis and display equipment, patient and...

  1. Positron annihilation studies of the Al-Ca-Zn superplastic alloy: thermal and thermomechanical contribution

    SciTech Connect

    Ayciriex, M.D. ); Romero, R.; Somoza, A. ); Silvetti, S.P.; Villagra, O. )

    1993-06-15

    Positron annihilation spectroscopy (PAS) is an established method for the study of electronic structure and defect properties in metals and alloys. The application of this technique to the study of positron trapping in grain boundaries and related phenomena, however, is relatively scarce. The physical basis for the application of PAS to the study of grain boundaries is the fact that grain boundaries are regions of low atomic density which result in attractive sites to the trap positions. The superplastic alloys are particularly suitable materials to be studied with PAS; they have a fine-grained structure, and therefore a high density of grain boundaries. Moreover, in the annealed condition, they have a low density of other types of defects capable of trapping positrons, such as dislocations. This type of polycrystalline material can undergo extremely high deformations (up to hundreds and thousands percent) in a certain temperature-strain rate range without macroscopic failure. This paper is part of a whole study of the thermal and thermomechanical effects on the positron lifetime parameters and their relation with microstructural changes and the phenomenon of structural superplasticity in a Al-Ca-Zn alloy.

  2. Laser operation by dissociation of metal complexes. II - New transitions in Cd, Fe, Ni, Se, Sn, Te, V, and Zn

    NASA Technical Reports Server (NTRS)

    Chou, M. S.; Cool, T. A.

    1977-01-01

    The reported investigation is a continuation of a study conducted by Chou and Cool (1976). The experimental results discussed are partly related to laser transitions in Cd(I), Cd(II), and Zn(II). Laser transitions in Fe(I), Ni(I), Sn(I), Te(I), and V(I) are also considered along with the observation of a laser pulse with two peaks in connection with the study of laser transitions in Se(I). Experiments related to prospective visible laser operation in thallium at 6550 and 6714 are also discussed, giving attention to spontaneous emission measurements at 6550 and 5350 A, the effects of additive molecules, and laser cavity experiments at 6550 and 6714 A.

  3. VizieR Online Data Catalog: Metallicity from Type II SN from (i)PTF (Taddia+, 2016)

    NASA Astrophysics Data System (ADS)

    Taddia, F.; Moquist, P.; Sollerman, J.; Rubin, A.; Leloudas, G.; Gal-Yam, A.; Arcavi, I.; Cao, Y.; Filippenko, A. V.; Graham, M. L.; Mazzali, P. A.; Nugent, P. E.; Pan, Y.-C.; Silverman, J. M.; Xu, D.; Yaron, O.

    2016-06-01

    We collected the optical spectra of the 57 SNe II presented by R15, as obtained by the (i)PTF collaboration. The selected spectra were obtained with many different telescopes and instruments, as summarized in Table A.1. For each spectrum where FeIIλ5018 was identified, we established the phase, based on the explosion date reported by Rubin et al. (2016ApJ...820...33R). (2 data files).

  4. Heavy metals in wastewater: Modelling the hydroxide precipitation of copper(II) from wastewater using lime as the precipitant

    SciTech Connect

    Baltpurvins, K.A.; Burns, R.C.; Lawrance, G.A.

    1996-12-31

    The effect of effluent composition (Cl{sup {minus}}, SO{sub 4}{sup 2{minus}} or CO{sub 3}{sup 2{minus}}) on the efficiency of the hydroxide precipitation of Cu(II) modelling lime (CaO) as the precipitant has been predicted using the solubility domain approach and has been experimentally validated. Solubility domains were based on the phases that were found to be solubility-limiting for systems representing potential effluent chemical composition limits. The generated solubility domains generally encompassed the experimentally observed solubilities, thereby providing effluent treatment quality assurance ranges for the hydroxide precipitation process. The presence of gypsum (CaSO{sub 4{center_dot}}2H{sub 2}O) and calcite (CaCO{sub 3}) as secondary precipitates had little effect on the observed residual Cu(II) solubilities, with Cu(II) mobility being governed by the least-soluble kinetically precipitated (rather than thermodynamically favored) phase in the system under study.

  5. Metal-controlled assembly tuning the topology and dimensionality of coordination polymers of Ag(I), Cd(II) and Zn(II) with the flexible 2-(1 H-imidazole-1-yl)acetic acid (Hima)

    NASA Astrophysics Data System (ADS)

    Wang, Yong-Tao; Tang, Gui-Mei; Wu, Yue; Qin, Xu-Yan; Qin, Da-Wei

    2007-04-01

    Three new, inorganic-organic coordination polymers based on a versatile linking unit 2-(1 H-imidazole-1-yl)acetate (ima) and Ag I, Cd II and Zn II ions, exhibiting one to three dimensionalities and different topology structures, have been prepared in water medium and structurally characterized by single-crystal X-ray diffraction analysis. Reaction of AgNO 3 with Hima afforded a neutral one-dimensional (1-D) chains [Ag(ima)] n ( 1) which exhibits a pseudo two-dimensional (2-D) layered architecture through π-π stacking interaction between imidazole rings and intermolecular Ag⋯Ag interactions. Reaction of CdCl 2 with Hima yielded neutral 2-D coordination polymers [Cd(ima) 2] n ( 2) possessing (6, 3) topology structures, which further stack into 3-D supramolecular networks through C-H⋯O weak interactions. While Zn(NO 3) 2 was used, a non-centric 3-D coordination polymer [Zn(ima) 2] n ( 3) featuring a 3-fold interpenetrating diamondoid net was isolated. Among these polymers, the building block ima anion exhibits different coordination modes. These results indicate that the versatile nature of this flexible ligand, together with the coordination preferences of the metal ions, play a critical role in construction of these novel coordination polymers. The spectral, thermal and SHG (second-harmonic generation) properties of these new materials have also been investigated.

  6. Zinc(II) and lead(II) metal-organic networks driven by a multifunctional pyridine-carboxylate building block: Hydrothermal synthesis, structural and topological features, and luminescence properties

    NASA Astrophysics Data System (ADS)

    Yang, Ling; Li, Yu; You, Ao; Jiang, Juan; Zou, Xun-Zhong; Chen, Jin-Wei; Gu, Jin-Zhong; Kirillov, Alexander M.

    2016-09-01

    4-(5-Carboxypyridin-2-yl)isophthalic acid (H3L) was applied as a flexible, multifunctional N,O-building block for the hydrothermal self-assembly synthesis of two novel coordination compounds, namely 2D [Zn(μ3-HL)(H2O)]n·nH2O (1) and 3D [Pb2(μ5-HL)(μ6-HL)]n (2) coordination polymers (CPs). These compounds were obtained in aqueous medium from a mixture containing zinc(II) or lead(II) nitrate, H3L, and sodium hydroxide. The products were isolated as stable crystalline solids and were characterized by IR spectroscopy, elemental, thermogravimetric (TGA), powder (PXRD) and single-crystal X-ray diffraction analyses. Compound 1 possesses a 2D metal-organic layer with the fes topology, which is further extended into a 3D supramolecular framework via hydrogen bonds. In contrast, compound 2 features a very complex network structure, which was topologically classified as a binodal 5,6-connected net with the unique topology defined by the point symbol of (47.63)(49.66). Compounds 1 and 2 disclose an intense blue or green luminescent emission at room temperature.

  7. A CF4 based positron trap

    NASA Astrophysics Data System (ADS)

    Marjanović, Srdjan; Banković, Ana; Cassidy, David; Cooper, Ben; Deller, Adam; Dujko, Saša; Petrović, Zoran Lj

    2016-11-01

    All buffer-gas positron traps in use today rely on N2 as the primary trapping gas due to its conveniently placed {{{a}}}1{{\\Pi }} electronic excitation cross-section. The energy loss per excitation in this process is 8.5 eV, which is sufficient to capture positrons from low-energy moderated beams into a Penning-trap configuration of electric and magnetic fields. However, the energy range over which this cross-section is accessible overlaps with that for positronium (Ps) formation, resulting in inevitable losses and setting an intrinsic upper limit on the overall trapping efficiency of ∼25%. In this paper we present a numerical simulation of a device that uses CF4 as the primary trapping gas, exploiting vibrational excitation as the main inelastic capture process. The threshold for such excitations is far below that for Ps formation and hence, in principle, a CF4 trap can be highly efficient; our simulations indicate that it may be possible to achieve trapping efficiencies as high as 90%. We also report the results of an attempt to re-purpose an existing two-stage N2-based buffer-gas positron trap. Operating the device using CF4 proved unsuccessful, which we attribute to back scattering and expansion of the positron beam following interactions with the CF4 gas, and an unfavourably broad longitudinal beam energy spread arising from the magnetic field differential between the source and trap regions. The observed performance was broadly consistent with subsequent simulations that included parameters specific to the test system, and we outline the modifications that would be required to realise efficient positron trapping with CF4. However, additional losses appear to be present which require further investigation through both simulation and experiment.

  8. PEP-II Alignment

    SciTech Connect

    Gaydosh, Michael

    2003-05-14

    The PEP-II Asymmetric B-factory consists of two independent storage rings, one located atop the other in the 2200m-circumference PEP tunnel. The high-energy ring, which stores a 9-GeV electron beam, is an upgrade of the existing PEP collider. It re-utilizes all of the PEP magnets and incorporates a state-of-the-art copper vacuum chamber and a new RF system capable of supporting a one-amp stored beam. The low-energy ring, which stores 3.1-GeV positrons, is new construction. Injection is achieved by extracting electrons and positrons at collision energies from the SLC and transporting them each in a dedicated bypass line. The low-emittance SLC beams will be used for the injection process.

  9. The GIRAFFE Inner Bulge Survey (GIBS). II. Metallicity distributions and alpha element abundances at fixed Galactic latitude

    NASA Astrophysics Data System (ADS)

    Gonzalez, O. A.; Zoccali, M.; Vasquez, S.; Hill, V.; Rejkuba, M.; Valenti, E.; Rojas-Arriagada, A.; Renzini, A.; Babusiaux, C.; Minniti, D.; Brown, T. M.

    2015-12-01

    Aims: We investigate metallicity and α-element abundance gradients along a Galactic longitude strip, at latitude b ~ -4°, with the aim of providing observational constraints for the structure and origin of the Milky Way bulge. Methods: High-resolution (R ~ 22 500) spectra for 400 K giants, in four fields within -4.8° ≲ b ≲ -3.4° and -10° ≲ l ≲ +10°, were obtained within the GIRAFFE Inner Bulge Survey (GIBS) project. To this sample we added another ~400 stars in Baade's Window at (l,b) = (1°,-4°), observed with the identical instrumental configuration: FLAMES GIRAFFE in Medusa mode with HR13 setup. All target stars lie within the red clump of the bulge colour-magnitude diagram, thus minimising contamination from the disc or halo stars. The spectroscopic stellar surface parameters were derived with an automatic method based on the GALA code, while the [Ca/Fe] and [Mg/Fe] abundances as a function of [Fe/H] were derived through a comparison with the synthetic spectra using MOOG. We constructed the metallicity distributions for the entire sample, and for each field individually, in order to investigate the presence of gradients or field-to-field variations in the shape of the distributions. Results: The metallicity distributions in the five fields are consistent with being drawn from a single parent population, indicating the absence of a gradient along the major axis of the Galactic bar. The global metallicity distribution is nicely fitted by two Gaussians. The metal-poor component is rather broad, with a mean at ⟨ [Fe/H] ⟩ = -0.31 dex and σ = 0.31 dex. The metal-rich component is narrower, with mean ⟨ [Fe/H] ⟩ = + 0.26 and σ = 0.2 dex. The [Mg/Fe] ratio follows a tight trend with [Fe/H], with enhancement with respect to solar in the metal-poor regime similar to the value observed for giant stars in the local thick disc. [Ca/Fe] abundances follow a similar trend, but with a considerably larger scatter than [Mg/Fe]. A decrease in [Mg/Fe] is

  10. Radial metallicity gradients in spiral galaxies from H II regions and planetary nebulae: probing galactic chemical evolution

    NASA Astrophysics Data System (ADS)

    Stanghellini, Letizia

    2015-08-01

    Radial metallicity gradients, typically observed in spiral galaxies, are excellent constraints for chemical evolution models. The contemporary studies of the two stellar populations, whose progenitors have formed at different times, yield to the chemical and time constraining of the models. In this context, planetary nebula and HII region analysis proved to be ideal two-epochs test populations. We present an assortment of galaxies whose oxygen abundances have been determined both with weak- and strong-line methods, and whose radial metallicity gradients and their evolution in time have disclosed very interesting correlations with the galaxy characteristics. New results from our Gemini/GMOS observations, and a review of the best literature data, set the stage for a better understanding of spiral galaxy evolution.

  11. Positron annihilation studies of moisture in graphite-reinforced composites

    NASA Technical Reports Server (NTRS)

    Singh, J. J.; Holt, W. H.; Mock, W., Jr.; Buckingham, R. D.

    1980-01-01

    The positron lifetime technique of monitoring absorbed moisture is applied to several composites, including graphite/polymides which are candidates for high-temperature (over 260 C) applications. The experimental setup is a conventional fast-slow coincidence system wherein the positron lifetime is measured with respect to a reference time determined by the detection of a nuclear gamma ray emitted simultaneously with the positron. From the experiments, a rate of change of positron mean lifetime per unit mass of water can be determined for each type of specimen. Positron lifetime spectra are presented for a graphite/polyimide composite and for a pure polyimide.

  12. Impact of wastewater irrigation on the dynamics of metal concentration in the vadose zone: simulation with NETPATH--part II.

    PubMed

    Deshmukh, Santosh K; Singh, Anil Kumar; Datta, Siba Prasad

    2015-12-01

    Understanding and quantification of geochemical processes in vadose zone of sewage-effluent-irrigated soils are helpful in predicting the transference of metals and other ions to food chain and groundwater. Hence, an attempt has been made to simulate various geochemical processes occurring in the flow path of infiltrating sewage water down the vadose zone with the help of Net Geochemical Reaction Along the Flow Path (NETPATH). This study area was located in Western Delhi, India, where sewage effluents originating from Keshopur Sewage Treatment plant have been used for irrigation since 1979. Agricultural lands receiving irrigation through sewage and tube well water were selected for this study. The results indicated that groundwater of 20- and 10-year sewage-irrigated lands was slightly oversaturated in respect of calcite and dolomite, and undersaturated in respect of gypsum. The shallow groundwater of 5-year sewage-irrigated field was undersaturated in case of calcite, dolomite, and gypsum. Among the metals, major focus was given on Fe and Mn as these two metals are redox prone and relatively more mobile than other metals under saturated conditions. There was reduction in concentration of Fe and Mn in groundwater samples of 20-year sewage-irrigated field as compared to that in sewage effluent. Such reduction in concentration of Fe and Mn could be ascribed to the formation of goethite and manganite in vadose zone, respectively, as revealed by simulation with NETPATH. Similarly, in case of 10- and 5-year sewage-irrigated fields, increase in Fe and Mn concentrations in groundwater was due to dissolution of siderite and pyrulusite, respectively. NETPATH software could explain the variation in diethylene triamine pentaacetic acid (DTPA)-extractable Fe and Mn content in vadose zone to the extent of 94 and 65%, respectively. PMID:26585958

  13. FORMATION OF COMPACT STELLAR CLUSTERS BY HIGH-REDSHIFT GALAXY OUTFLOWS. II. EFFECT OF TURBULENCE AND METAL-LINE COOLING

    SciTech Connect

    Gray, William J.; Scannapieco, Evan

    2011-06-01

    In the primordial universe, low-mass structures with virial temperatures less than 10{sup 4} K were unable to cool by atomic line transitions, leading to a strong suppression of star formation. On the other hand, these 'minihalos' were highly prone to triggered star formation by interactions from nearby galaxy outflows. In Gray and Scannapieco, we explored the impact of nonequilibrium chemistry on these interactions. Here we turn our attention to the role of metals, carrying out a series of high-resolution three-dimensional adaptive mesh refinement simulations that include both metal cooling and a subgrid turbulent mixing model. Despite the presence of an additional coolant, we again find that outflow-minihalo interactions produce a distribution of dense, massive stellar clusters. We also find that these clusters are evenly enriched with metals to a final abundance of Z {approx} 10{sup -2} Z{sub sun}. As in our previous simulations, all of these properties suggest that these interactions may have given rise to present-day halo globular clusters.

  14. Clonal variation in heavy metal accumulation and biomass production in a poplar coppice culture. II. Vertical distribution and phytoextraction potential.

    PubMed

    Laureysens, I; De Temmerman, L; Hastir, T; Van Gysel, M; Ceulemans, R

    2005-02-01

    Short rotation coppice cultures (SRC) are intensively managed, high-density plantations of multi-shoot trees. In April 1996, an SRC field trial with 17 different poplar clones was established in Boom (Belgium) on a former waste disposal site. In December 1996 and January 2001, all shoots were cut back to a height of 5 cm to create a coppice culture. For six clones, wood and bark were sampled at the bottom, middle and top of a shoot in August and November 2002. No significant height effect of metal concentration was found, but for wood, metal concentrations generally increased toward the top of the shoot in August, and decreased toward the top of the shoot in November. Phytoextraction potential of a clone was primarily determined by metal concentration and by biomass production. Shoot size and number of shoots per stool were less important, as a high biomass production could be achieved by producing a few large shoots or many smaller shoots. Clone Fritzi Pauley accumulated 1.4 kg ha(-1) of Al over two years; Wolterson and Balsam Spire showed a relatively high accumulation of Cd and Zn, i.e. averaging, respectively 47 and 57 g ha(-1) for Cd and 2.4 and 2.0 kg ha(-1) for Zn over two years.

  15. Oxygen Pumping. II. Probing the Inhomogeneous Metal Enrichment at the Epoch of Reionization with High-Frequency CMB Observations

    NASA Astrophysics Data System (ADS)

    Hernández-Monteagudo, Carlos; Haiman, Zoltán; Verde, Licia; Jimenez, Raul

    2008-01-01

    At the epoch of reionization, when the high-redshift intergalactic medium (IGM) is being enriched with metals, the 63.2 μm fine-structure line of O I is pumped by the ~1300 Å soft UV background and introduces a spectral distortion in the cosmic microwave background (CMB). Here we use a toy model for the spatial distribution of neutral oxygen in which metal bubbles surround dark matter halos, and compute the fluctuations of this distortion and the angular power spectrum it imprints on the CMB. We discuss the dependence of the power spectrum on the velocity of the winds polluting the IGM with metals, the minimum mass of the halos producing these winds, and the cosmic epoch when the O I pumping occurs. We find that, although the clustering signal of the CMB distortion is weak [(δy)rms <~ 10-7 roughly corresponding to a temperature anisotropy of ~1 nK], it may be reachable in deep integrations with high-sensitivity infrared detectors. Even without a detection, these instruments should be able to set useful constraints on the heavy-element enrichment history of the IGM.

  16. Positron Beam Propagation in a Meter Long Plasma Channel

    SciTech Connect

    Marsh, K.A.; Blue, B.E.; Clayton, C.E.; Joshi, C.; Mori, W.B.; Decker, F.-J.; Hogan, M.J.; Iverson, R.; O'Connell, C.; Raimondi, P.; Siemann, Robert H.; Walz, D.; Katsouleas, T.C.; Muggli, P.; /Southern California U.

    2008-03-17

    Recent experiments and simulations have shown that positron beams propagating in plasmas can be focused and also create wakes with large accelerating gradients. For similar parameters, the wakes driven by positron beams are somewhat smaller compared to the case of an electron beam. Simulations have shown that the wake amplitude can be increased if the positron beam is propagated in a hollow plasma channel (Ref. 1). This paper, compares experimentally, the propagation and beam dynamics of a positron beam in a meter scale homogeneous plasma, to a positron beam hollow channel plasma. The results show that positron beams in hollow channels are less prone to distortions and deflections. Hollow channels were observed to guide the positron beam onto the channel axis. Beam energy loss was also observed implying the formation of a large wake amplitude. The experiments were carried out as part of the E-162 plasma wakefield experiments at SLAC.

  17. Optimization of positrons generation based on laser wakefield electron acceleration

    NASA Astrophysics Data System (ADS)

    Wu, Yuchi; Han, Dan; Zhang, Tiankui; Dong, Kegong; Zhu, Bin; Yan, Yonghong; Gu, Yuqiu

    2016-08-01

    Laser based positron represents a new particle source with short pulse duration and high charge density. Positron production based on laser wakefield electron acceleration (LWFA) has been investigated theoretically in this paper. Analytical expressions for positron spectra and yield have been obtained through a combination of LWFA and cascade shower theories. The maximum positron yield and corresponding converter thickness have been optimized as a function of driven laser power. Under the optimal condition, high energy (>100 MeV ) positron yield up to 5 ×1011 can be produced by high power femtosecond lasers at ELI-NP. The percentage of positrons shows that a quasineutral electron-positron jet can be generated by setting the converter thickness greater than 5 radiation lengths.

  18. Methods and apparatus for producing and storing positrons and protons

    DOEpatents

    Akers, Douglas W.

    2010-07-06

    Apparatus for producing and storing positrons may include a trap that defines an interior chamber therein and that contains an electric field and a magnetic field. The trap may further include a source material that includes atoms that, when activated by photon bombardment, become positron emitters to produce positrons. The trap may also include a moderator positioned adjacent the source material. A photon source is positioned adjacent the trap so that photons produced by the photon source bombard the source material to produce the positron emitters. Positrons from the positron emitters and moderated positrons from the moderator are confined within the interior chamber of the trap by the electric and magnetic fields. Apparatus for producing and storing protons are also disclosed.

  19. Emittance of positron beams produced in intense laser plasma interaction

    SciTech Connect

    Chen Hui; Hazi, A.; Link, A.; Anderson, S.; Gronberg, J.; Izumi, N.; Tommasini, R.; Wilks, S.; Sheppard, J. C.; Meyerhofer, D. D.; Baldis, H. A.; Marley, E.; Park, J.; Williams, G. J.; Fedosejev, R.; Kerr, S.

    2013-01-15

    The first measurement of the emittance of intense laser-produced positron beams has been made. The emittance values were derived through measurements of positron beam divergence and source size for different peak positron energies under various laser conditions. For one of these laser conditions, we used a one dimensional pepper-pot technique to refine the emittance value. The laser-produced positrons have a geometric emittance between 100 and 500 mm{center_dot}mrad, comparable to the positron sources used at existing accelerators. With 10{sup 10}-10{sup 12} positrons per bunch, this low emittance beam, which is quasi-monoenergetic in the energy range of 5-20 MeV, may be useful as an alternative positron source for future accelerators.

  20. Complexation of nitrogen and sulphur donor Schiff's base ligand to Cr(III) and Ni(II) metal ions: Synthesis, spectroscopic and antipathogenic studies

    NASA Astrophysics Data System (ADS)

    Sharma, Amit Kumar; Chandra, Sulekh

    2011-01-01

    2,6-Diacetyl pyridine based ligand was synthesized by the reaction of 2,6-diacetyl pyridine with thiocarbohydrazide in presence of acetic acid. The coordination compounds with Cr(III) and Ni(II) metal ions having [Cr(L)X]X 2 and [Ni(L)X]X compositions (where L = ligand and X = NO 3-, Cl - and CH 3COO -) were synthesized and characterized by physicochemical and spectral studies. The studies like elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV-Vis, NMR, mass and EPR reveal that the complexes are octahedral. The compounds were examined against the pathogenic fungal and bacterial strains like Alternaria brassicae, Aspergillus niger, Fusarium oxysporum, Xanthomonas compestris and Pseudomonas aeruginosa. A. niger causes the diseases Apergillosis and Otomycosis in humans.