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Sample records for priii ion coordinated

  1. Coordination properties of warfarin towards Pr(III) predicted from DFT and FT-IR studies

    International Nuclear Information System (INIS)

    Mihaylov, Tz.; Trendafilova, N.; Georgieva, I.; Kostova, I.

    2010-01-01

    Graphical abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L) 3 .5H 2 O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculations predicted that the ligand binds to the metal through the deprotonated enol group and the keto C=O group in pseudo-octahedral polyhedron. The simulated vibrational spectrum of the model complex proposed is in excellent agreement with the experimental one. - Abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L) 3 .5H 2 O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculated NPA charges, Fukui functions and MEP values of the anionic ligand in solution pointed out that the oxygen atoms of the deprotonated hydroxyl and the coumarin carbonyl groups are the most probable reactive sites upon coordination. The metal-ligand binding mode of warfarin is predicted through molecular modeling and energy estimation of different Pr(III)-warfarin structures. In the most stable model structure, the ligand-metal binding is realized through the oxygen of the deprotonated OH group and the oxygen of the keto C=O group in pseudo-octahedral polyhedron. The suggested metal-ligand binding mode is confirmed by comparative vibrational analysis of the free ligand and various model structures with different metal-ligand binding modes.

  2. Coordination properties of warfarin towards Pr(III) predicted from DFT and FT-IR studies

    Energy Technology Data Exchange (ETDEWEB)

    Mihaylov, Tz., E-mail: tzmihay@svr.igic.bas.bg [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia (Bulgaria); Trendafilova, N.; Georgieva, I. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia (Bulgaria); Kostova, I., E-mail: irenakostova@yahoo.com [Department of Chemistry, Faculty of Pharmacy, Medical University, Sofia (Bulgaria)

    2010-08-23

    Graphical abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L){sub 3}.5H{sub 2}O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculations predicted that the ligand binds to the metal through the deprotonated enol group and the keto C=O group in pseudo-octahedral polyhedron. The simulated vibrational spectrum of the model complex proposed is in excellent agreement with the experimental one. - Abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L){sub 3}.5H{sub 2}O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculated NPA charges, Fukui functions and MEP values of the anionic ligand in solution pointed out that the oxygen atoms of the deprotonated hydroxyl and the coumarin carbonyl groups are the most probable reactive sites upon coordination. The metal-ligand binding mode of warfarin is predicted through molecular modeling and energy estimation of different Pr(III)-warfarin structures. In the most stable model structure, the ligand-metal binding is realized through the oxygen of the deprotonated OH group and the oxygen of the keto C=O group in pseudo-octahedral polyhedron. The suggested metal-ligand binding mode is confirmed by comparative vibrational analysis of the free ligand and various model structures with different metal-ligand binding modes.

  3. Evaluation of intensity and energy interaction parameters for the complexation of Pr(III) with selected nucleoside and nucleotide through absorption spectral studies

    Science.gov (United States)

    Bendangsenla, N.; Moaienla, T.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

    2013-02-01

    The interactions of Pr(III) with nucleosides and nucleotides have been studied in different organic solvents employing absorption difference and comparative absorption spectrophotometry. The magnitudes of the variations in both energy and intensity interaction parameters were used to explore the degree of outer and inner sphere co-ordination, incidence of covalency and the extent of metal 4f-orbital involvement in chemical bonding. Various electronic spectral parameters like Slater-Condon (Fk), Racah (Ek), Lande parameter (ξ4f), Nephelauxatic ratio (β), bonding (b1/2), percentage covalency (δ) and intensity parameters like oscillator strength (P) and Judd Ofelt electronic dipole intensity parameter (Tλ, λ = 2, 4, 6) have been evaluated. The variation of these evaluated parameters were employed to interpret the nature of binding of Pr(III) with different ligands i.e. Adenosine/ATP in presence and absence of Ca2+.

  4. Coordination of cassava starch to metal ions and thermolysis of ...

    African Journals Online (AJOL)

    Cassava starch formed Werner-type complexes with ions of metals from the transition groups. This was proven by conductivity and electron paramagnetic resonance measurements. The coordination of starch to central metal ions influenced the thermal decomposition of starch. As a rule complexes started to decompose at ...

  5. Local coordination of polyvalent metal ions in molten halide mixtures

    International Nuclear Information System (INIS)

    Akdeniz, Z.; Tosi, M.P.

    1989-07-01

    Ample experimental evidence is available in the literature on the geometry and the stability of local coordination for polyvalent metal ions in molten mixtures of their halides with alkali halides. Recent schemes for classifying this evidence are discussed. Dissociation of tetrahedral halocomplexes in good ionic systems can be viewed as a classical Mott problem of bound-state stability in a conducting matrix. More generally, structural coordinates can be constructed from properties of the component elements, to separate out systems with long-lived fourfold or sixfold coordination and to distinguish between these. (author). 11 refs, 1 fig

  6. Electronic absorption spectral studies of Pr(III) chelates with some amino acids

    Science.gov (United States)

    Kachhawa, Chanchal; Solanki, Kanika; Bhandari, H. S.

    2018-05-01

    Investigations on Pr(III) systems with 1:1 metal-ligand stoichiometric ratio have been carried out in different solvents. β - Alanine, Taurine and anthranilic acid have been opted as ligands for the investigations. The Study is based on doped crystal phenomenon. The Slater-Condon, spin-orbit, nephelauxetic, bonding, Racah and Judd-Ofelt parameters have been explored during the study. Four bands for Pr(III) have been observed and recorded in the region 350 nm to 900nm. Partial regression method has been used for calculations. Use of computational chemistry has been explored in order to develop better and easier methods of calculations.

  7. Algebraic and coordinate space potentials from heavy ion scattering

    International Nuclear Information System (INIS)

    Amos, K.; Berge, L.; Allen, L.J.; Fiedeldey, H.

    1993-01-01

    An inversion scheme is presented to derive the potentials of algebraic scattering theory from the corresponding S-functions. Representative heavy ion scattering data of 12 C, 14 N and 16 O ions on 208 Pb, accurately fitted by McIntyre strong absorption type S-functions, are employed to obtain exact algebraic potentials and to generalize the analytical shapes proposed previously by Alhassid et al. The coordinate space potentials corresponding to a number of S-functions are also obtained via semiclassical inversion. The major advantage of the algebraic potentials is that, at a theoretical level they are more directly related to the S-functions than are coordinate space potentials. 16 refs., 1 tab., 9 figs

  8. Porous coordination polymer with flexibility imparted by coordinatively changeable lithium ions on the pore surface.

    Science.gov (United States)

    Xie, Lin-Hua; Lin, Jian-Bin; Liu, Xiao-Min; Wang, Yu; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming

    2010-02-01

    Solvothermal reactions of equimolar zinc acetate, lithium acetate, and 1,3,5-benzenetricarboxylic acid (H(3)btc) in different mixed solvents yielded isostructural three-dimensional frameworks [LiZn(btc)(cG)].lG [cG and lG denote coordinated and lattice guests, respectively; cG = (nmp)(0.5)(H(2)O)(0.5), lG = (EtOH)(0.5) (1a); cG = H(2)O, lG = EtOH (1b); nmp = N-methyl-2-pyrrolidone] with one-dimensional channels occupied by guest molecules and solvent-coordinated, extrusive Li(+) ions. Thermogravimetry analyses and powder X-ray diffraction measurements revealed that both 1a and 1b can lose all lattice and coordinated guests to form a desolvated phase [LiZn(btc)] (MCF-27, 1) and almost retains the original framework structure. Gas adsorption measurements on 1 confirmed its permanent porosity but suggested a structural transformation from 1a/1b to 1. It is noteworthy that only 1a can undergo a single-crystal to single-crystal (SCSC) transformation into 1 upon desolvation. The crystal structure of 1 revealed that the Li(+) ions were retracted into the channel walls via complementary coordination to the carboxylate oxygen atoms in the framework rather than being exposed on the pore surface. Single-crystal X-ray diffraction analyses were also performed for N(2)- and CO(2)-loaded samples of 1, revealing that the framework remained unchanged when the gases were adsorbed. Although the gas molecules could not be modeled, the residue electrons inside the channels demonstrated that the retracted Li(+) ions still behave as the primary interacting site for CO(2) molecules. Nevertheless, solvent molecules such as H(2)O can readily compete with the framework oxygen atom to retrieve the extrusive Li(+) ions, accompanying the reverse structural transformation, i.e., from 1 to 1a/1b.

  9. Lanthanide ions as absorption spectral probes in biochemical reactions

    International Nuclear Information System (INIS)

    Misra, S.N.

    1989-01-01

    The interactions of adenine, adenosine, adenosine 5'-monophosphate, 5'-diphosphate and 5'-triphosphate with Pr(III) and Nd(III) in different stoichiometries and at varying pH levels have been investigated by electronic spectral studies. The intra 4f-4f transitions yield sharp bands which were analysed individually by Gaussian curve analysis. The energy interaction (Fsup(k),Esup(k)) spin orbit interaction (ζ4f), bonding(b), nephelauxetic (β,δ) and intensity parameters (Tsub(τ.P)) have been computed on HP-1000/45 computer using regression analyses refined by least square fit. The nature of bonding, coordination environment, outer and inner sphere coordination have been interpreted in terms of the magnitude of these parameters as compared to the lanthanide free ion. In order to supplicate the solution studies the crystalline compounds of AMP, ADP and ATP with Pr(III) and Nd(III) have been isolated and characterized by IR, 1 H and 31 P NMR studies. The infrared spectral data indicated weak interaction with the imidazole nitrogen of adenine moiety and bidentate attachment of oxygen. (author). 10 refs

  10. Laccase Immobilization by Chelated Metal Ion Coordination Chemistry

    Directory of Open Access Journals (Sweden)

    Qingqing Wang

    2014-09-01

    Full Text Available In this work, amidoxime polyacrylonitrile (AOPAN nanofibrous membrane was prepared by a reaction between PAN nanofibers and hydroxylamine hydrochloride. The AOPAN nanofibrous membranes were used for four metal ions (Fe3+, Cu2+, Ni2+, Cd2+ chelation under different conditions. Further, the competition of different metal ions coordinating with AOPAN nanofibrous membrane was also studied. The AOPAN chelated with individual metal ion (Fe3+, Cu2+, Ni2+, Cd2+ and also the four mixed metal ions were further used for laccase (Lac immobilization. Compared with free laccase, the immobilized laccase showed better resistance to pH and temperature changes as well as improved storage stability. Among the four individual metal ion chelated membranes, the stability of the immobilized enzymes generally followed the order as Fe–AOPAN–Lac > Cu–AOPAN–Lac > Ni–AOPAN–Lac > Cd–AOPAN–Lac. In addition, the immobilized enzyme on the carrier of AOPAN chelated with four mixed metal ions showed the best properties.

  11. Characterization of some Pr(III) complexes in terms of electronic spectral parameters

    International Nuclear Information System (INIS)

    Bhati, P.R.; Soni, K.P.; Joshi, G.K.; Swami, S.N.

    1992-01-01

    Pr(III) complexes from the ligands derived from methyl acetoacetate, ethyl acetoacetate, veratraldehyde, ethyl vanillin and 2,5 dimethoxy benzaldehyde forming Schiff-bases with ortho, meta and para phenylene diamines have been synthesized. The complexes have been characterized in terms of various Slater-Condon Lande and Judd-Ofelt parameters. The various trends in the parametric values have also been described. The involvement of 4f-orbital in the Pr(III) complexes including deviation in the symmetry have been discussed on the basis of electronic spectral parameters. The validity of the theories used has been established while comparing observed and calculated energies and intensities of the various bands in the present complexes on the basis of r.m.s deviation. The trends of the curves observed in the solution spectra have also been discussed. (author). 21 refs., 5 tabs., 2 figs

  12. Monitoring of praseodymium(III) ions in aqueous solutions, soil and sediment samples by a PVC membrane sensor based on a furan-triazole derivative

    Energy Technology Data Exchange (ETDEWEB)

    Pourjavid, Mohammad Reza [Islamic Azad University, Tehran (Iran, Islamic Republic of). Dept. of Medicinal Chemistry. Nuclear Science and Technology Research Institute; Rezaee, Mohammad; Hosseini, Majid Haji [Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Razavi, Taherehsadat, E-mail: pourjavid@gmail.com [Research Institute of Petroleum Industry, Tehran (Iran, Islamic Republic of). Instrumental Analysis Dept.

    2012-07-01

    A furan-triazole derivative has been explored as an ionophore for preparation of a highly selective Pr(III) membrane sensor. The proposed sensor exhibits a Nernstian response for Pr(III) activity over a wide concentration range with a detection limit of 5.2 x 10{sup -8}M. Its response is independent of pH of the solution in the range 3.0-8.8 and offers the advantages of fast response time. To investigate the analytical applicability of the sensor, it was applied successfully as an indicator electrode in potentiometric titration of Pr(III) solution and also in the direct and indirect determination of trace Pr(III) ions in some samples. (author)

  13. Coordination variation of hydrated Cu2+/Br1− ions traversing the interfacial water in mesopores

    Directory of Open Access Journals (Sweden)

    Q. Wang

    2012-06-01

    Full Text Available Resolution of the atomistic and electronic details about the coordination structure variation of hydrated ions in the interfacial water is still a tough challenge, which is, however, essentially important for the understanding of ion adsorption, permeation and other similar processes in aqueous solutions. Here we report the tracing of coordination structure variation for hydrated Cu2+/Br1- ions traversing the interfacial water in Vycor mesopores (ϕ = 7.6 nm by employing both X-ray absorption near edge structure and extended X-ray absorption fine structure spectroscopies. By controlled desorption/adsorption of water, the filling fraction of the mesopores, thus the water layer thickness, can be adjusted, which in turn effects the variation of coordination structure of the ions therein. It is found that both Cu2+ and Br1- ions prefer staying exclusively in the core water, and in this circumstance no ion pairs have been detected in the solution of concentrations up to 1.0 M. Following capillary decondensation occurring at a filling fraction of ∼35% which corresponds to a water layer of about three monolayers, Br1- ions begin immediately to reconstruct their first coordination shell, characterized by ionic dehydration, shrinkage of ion-water bond length, and formation of ion pairs. In contrast, Cu2+ ions can retain a bulk-like coordination structure till being driven to bond directly to the pore surface when the filling fraction is below 20%. At the final stage of dehydration via thermal vacuum treatment at 110°C, Cu2+ ions can be completely reduced to the Cu1+ state, and recover at room temperature only when the filling fraction is above 14%. These results may be inspirable for the investigation of similar problems concerning hydrated ions in water solution under different confining conditions.

  14. Sugar-metal ion interactions: The coordination behavior of cesium ion with lactose, D-arabinose and L-arabinose

    Science.gov (United States)

    Jiang, Ye; Xue, Junhui; Wen, Xiaodong; Zhai, Yanjun; Yang, Limin; Xu, Yizhuang; Zhao, Guozhong; Kou, Kuan; Liu, Kexin; Chen, Jia'er; Wu, Jinguang

    2016-04-01

    The novel cesium chloride-lactose complex (CsCl·C12H22O10 (Cs-Lac), cesium chloride-D-arabinose and L-arabinose complexes (CsCl·C5H10O5, Cs-D-Ara and Cs-L-Ara) have been synthesized and characterized using X-ray diffraction, FTIR, FIR, THz and Raman spectroscopies. Cs+ is 9-coordinated to two chloride ions and seven hydroxyl groups from five lactose molecules in Cs-Lac. In the structures of CsCl-D-arabinose and CsCl-L-arabinose complexes, two kinds of Cs+ ions coexist in the structures. Cs1 is 10-coordinated with two chloride ions and eight hydroxyl groups from five arabinose molecule; Cs2 is 9-coordinated to three chloride ions and six hydroxyl groups from five arabinose molecules. Two coordination modes of arabinose coexist in the structures. α-D-arabinopyranose and α-L-arabinopyranose appear in the structures of Cs-D-Ara and Cs-L-Ara complexes. FTIR and Raman results indicate variations of hydrogen bonds and the conformation of the ligands after complexation. FIR and THz spectra also confirm the formation of Cs-complexes. Crystal structure, FTIR, FIR, THz and Raman spectra provide detailed information on the structure and coordination of hydroxyl groups to metal ions in the cesium chloride-lactose, cesium chloride-D- and L-arabinose complexes.

  15. Probing the coordination environment of Ti(3+) ions coordinated to nitrogen-containing Lewis bases.

    Science.gov (United States)

    Morra, E; Maurelli, S; Chiesa, M; Van Doorslaer, S

    2015-08-28

    Multi-frequency continuous-wave and pulsed EPR techniques are employed to investigate the coordination of nitrogen-containing ligands to Ti(3+)-chloro complexes. Frozen solutions of TiCl3 and TiCl3(Py)3 dissolved in nitrogen-containing solvents have been investigated together with the TiCl3(Py)3 solid-state complex. For these different systems, the hyperfine and nuclear quadrupole data of Ti(3+)-bound (14)N nuclei are reported and discussed in the light of DFT computations, allowing for a detailed description of the microscopic structure of these systems.

  16. Treatment of spent ion exchange resins IAEA research coordination programme

    International Nuclear Information System (INIS)

    Balu, K.; Bhatia, S.C.; Wattal, P.K.; Chanana, N.

    1981-09-01

    Spent ion-exchange resins arising from steam condensate systems, reactor coolant clean-up systems and rad-waste procession, are considered as a specific solid waste management problem. This is the second report on the product characterisation with respect to thermal properties, flammability, bio-organic degradation and leaching behaviours. All these studies are based on polyester-styrene polymer as a matrix for fixation of these spent Ix-resins. Choice of this matrix was dealt with in the first report. (author)

  17. A tetrapositive metal ion in the gas phase: Thorium(IV) coordinated by neutral tridentate ligands

    International Nuclear Information System (INIS)

    Gong, Yu; Tian, Guoxin; Rao, Linfeng; Gibson, John K.; Hu, Han-Shi; Li, Jun

    2013-01-01

    Sheltering thorium ions: A Th 4+ ion supported by three neutral tetramethyl-3-oxaglutaramide ligands (L=TMOGA) is produced in the gas phase by electrospray ionization. The thorium in chiral Th(L) 3 4+ is coordinated by nine oxygen atoms. Quantum chemical studies revealed a decrease in Th-O binding energies and bond orders and an increase in bond lengths, as the number of coordinating ligands increases. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. A tetrapositive metal ion in the gas phase: Thorium(IV) coordinated by neutral tridentate ligands

    Energy Technology Data Exchange (ETDEWEB)

    Gong, Yu; Tian, Guoxin; Rao, Linfeng; Gibson, John K. [Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States); Hu, Han-Shi [Department of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China); Li, Jun [Department of Chemistry and Laboratory of Organic Optoelectronics and Molecular Engineering of the Ministry of Education, Tsinghua University (China); William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory (United States)

    2013-07-01

    Sheltering thorium ions: A Th{sup 4+} ion supported by three neutral tetramethyl-3-oxaglutaramide ligands (L=TMOGA) is produced in the gas phase by electrospray ionization. The thorium in chiral Th(L){sub 3}{sup 4+} is coordinated by nine oxygen atoms. Quantum chemical studies revealed a decrease in Th-O binding energies and bond orders and an increase in bond lengths, as the number of coordinating ligands increases. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. A novel vanadosilicate with hexadeca-coordinated Cs+ ions as a highly effective Cs+ remover

    International Nuclear Information System (INIS)

    Datta, Shuvo Jit; Moon, Won Kyung; Choi, Do Young; Hwang, In Chul; Yoon, Kyung Byung

    2014-01-01

    The effective removal of 137 Cs + ions from contaminated groundwater and seawater and from radioactive nuclear waste solutions is crucial for public health and for the continuous operation of nuclear power plants. Various 137 Cs + removers have been developed, but more effective 137 Cs + removers are still needed. A novel microporous vanadosilicate with mixed-valence vanadium (V 4+ and V 5+ ) ions is now reported, which shows an excellent ability for Cs + capture and immobilization from groundwater, seawater, and nuclear waste solutions. This material is superior to other known materials in terms of selectivity, capacity, and kinetics, and at very low Cs + concentrations, it was found to be the most effective material for the removal of radioactive Cs + ions under the test conditions. This novel vanadosilicate also contains hexadeca-coordinated Cs + ions, which corresponds to the highest coordination number ever described.

  20. Environmentally Sustainable Aluminum-Coordinated Poly(tetrahydroxybenzoquinone) as a Promising Cathode for Sodium Ion Batteries.

    Science.gov (United States)

    Kim, Hee Joong; Kim, Youngjin; Shim, Jimin; Jung, Kyung Hwa; Jung, Min Soo; Kim, Hanseul; Lee, Jong-Chan; Lee, Kyu Tae

    2018-01-31

    Na-ion batteries are attractive as an alternative to Li-ion batteries because of their lower cost. Organic compounds have been considered as promising electrode materials due to their environmental friendliness and molecular diversity. Herein, aluminum-coordinated poly(tetrahydroxybenzoquinone) (P(THBQ-Al)), one of the coordination polymers, is introduced for the first time as a promising cathode for Na-ion batteries. P(THBQ-Al) is synthesized through a facile coordination reaction between benzoquinonedihydroxydiolate (C 6 O 6 H 2 2- ) and Al 3+ as ligands and complex metal ions, respectively. Tetrahydroxybenzoquinone is environmentally sustainable, because it can be obtained from natural resources such as orange peels. Benzoquinonedihydroxydiolate also contributes to delivering high reversible capacity, because each benzoquinonedihydroxydiolate unit is capable of two electron reactions through the sodiation of its conjugated carbonyl groups. Electrochemically inactive Al 3+ improves the structural stability of P(THBQ-Al) during cycling because of a lack of a change in its oxidation state. Moreover, P(THBQ-Al) is thermally stable and insoluble in nonaqueous electrolytes. These result in excellent electrochemical performance including a high reversible capacity of 113 mA h g -1 and stable cycle performance with negligible capacity fading over 100 cycles. Moreover, the reaction mechanism of P(THBQ-Al) is clarified through ex situ XPS and IR analyses, in which the reversible sodiation of C═O into C-O-Na is observed.

  1. Contribution to the coordination chemistry of penta, hexa and heptavalent ions of 5f elements

    International Nuclear Information System (INIS)

    Musikas, Claude.

    1978-01-01

    This report has two main parts in which are discussed results dealing with: - aquo and hydroxo complexes of penta, hexa and heptavalent ions of 5f elements - pseuso halides complexes of these ions (SCN - , N 3 - , CN - ). It has been shown, by spectrophotometric and electrochemical measurements that U (V) possesses an aquo ion more acid than the known UO 2 + ion. This form is observed as insoluble hydroxid near pH 3.0 or as soluble polynuclear hydroxo complexes at lower pH. Hydroxo anionic complexes of U (VI) have been observed and one can precise the mecanism of hydrolysis of UO 2 ++ ions beyond he hydroxid UO 2 (OH) 2 . At pH 9 to 12, polynuclear species with low negative charge have been observed. At pH 13, others OH - ions enter in the coordination sphere of UO 2 ++ and mononuclear species are obtained. Reduction of polynuclear species leads to mixed hydroxo complexes of 'blue type'. Studies of hydrolysis of NpO 2 + allow to propose an hydrolysis mechanism similar to UO 2 ++ one. With electrochemical methods that in acidic media Np (VII) is present as NpO 3 + ions. Solubility product of NpO 3 OH has been measured. The second part is devoted to pseudohalides complexes of UO 2 ++ , UO 2 + and NpO 2 + ions [fr

  2. Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations

    International Nuclear Information System (INIS)

    Duvail, M.; Guilbaud, Ph.

    2011-01-01

    Coordination of nitrate anions with lanthanoid cations (Ln 3+ ) in water, methanol and octanol-1 has been studied by means of molecular dynamics simulations with explicit polarization. Potential of mean force (PMF) profiles have been calculated for a mono-complex of lanthanoid nitrate (Ln(NO 3 ) 2+ ) in these solvents using umbrella-sampling molecular dynamics. In pure water, no difference in the nitrato coordination to lanthanoids (Nd 3+ , Eu 3+ and Dy 3+ ) is observed, i.e. the nitrate anion prefers the monodentate coordination, which promotes the salt dissociation. Then, the influence of the nature of the solvating molecules on the nitrato coordination to Eu 3+ has been investigated. PMF profiles point out that both monodentate and bidentate coordinations are stable in neat methanol, while in neat octanol, only the bidentate one is. MD simulations of Eu(NO 3 ) 3 in water-octanol mixtures with different concentrations of water have been then performed and confirm the importance of the water molecules' presence on the nitrate ion's coordination mode. (authors)

  3. Metals in proteins: correlation between the metal-ion type, coordination number and the amino-acid residues involved in the coordination.

    Science.gov (United States)

    Dokmanić, Ivan; Sikić, Mile; Tomić, Sanja

    2008-03-01

    Metal ions are constituents of many metalloproteins, in which they have either catalytic (metalloenzymes) or structural functions. In this work, the characteristics of various metals were studied (Cu, Zn, Mg, Mn, Fe, Co, Ni, Cd and Ca in proteins with known crystal structure) as well as the specificity of their environments. The analysis was performed on two data sets: the set of protein structures in the Protein Data Bank (PDB) determined with resolution metal ion and its electron donors and the latter was used to assess the preferred coordination numbers and common combinations of amino-acid residues in the neighbourhood of each metal. Although the metal ions considered predominantly had a valence of two, their preferred coordination number and the type of amino-acid residues that participate in the coordination differed significantly from one metal ion to the next. This study concentrates on finding the specificities of a metal-ion environment, namely the distribution of coordination numbers and the amino-acid residue types that frequently take part in coordination. Furthermore, the correlation between the coordination number and the occurrence of certain amino-acid residues (quartets and triplets) in a metal-ion coordination sphere was analysed. The results obtained are of particular value for the identification and modelling of metal-binding sites in protein structures derived by homology modelling. Knowledge of the geometry and characteristics of the metal-binding sites in metalloproteins of known function can help to more closely determine the biological activity of proteins of unknown function and to aid in design of proteins with specific affinity for certain metals.

  4. Preliminary observation on coordination of pellet injection and ion Bernstein wave on a HT-7 tokamak

    International Nuclear Information System (INIS)

    Yang Yu; Zhao Yanping; Li Jiangang; Wan Baonian; Luo Jiarong; Gu Xuemao

    2002-01-01

    A pellet injection (PI) experiment was performed during the application of the ion Bernstein wave on a HT-7 tokamak. A preliminary coordination effect was observed. With a lower wave power, shortly after PI, the coupling of the wave was enhanced, and the particle confinement was improved. With higher power, off-axis heating for 15% at about α/3 in the low field side was observed

  5. Syntheses, structures and luminescence properties of lanthanide coordination polymers with helical character

    International Nuclear Information System (INIS)

    Zhou Ruisha; Cui Xiaobing; Song Jiangfeng; Xu Xiaoyu; Xu Jiqing; Wang Tiegang

    2008-01-01

    A series of lanthanide coordination polymers, (Him) n [Ln(ip) 2 (H 2 O)] n [Ln=La(1), Pr(2), Nd(3) and Dy(4), H 2 ip=isophthalic acid, im=imidazole] and [Y 2 (ip) 3 (H 2 O) 2 ] n .nH 2 O (5), have been synthesized and characterized by elemental analyses, infrared (IR), ultraviolet-visible-near infrared (UV-Vis-NIR) and single-crystal X-ray diffraction analyses. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 features a 2-D network making of two different kinds of quadruple-helical chains. Compounds 2 and 3 present the characteristic emissions of Pr(III) and Nd(III) ions in NIR region, respectively. Compound 4 shows sensitized luminescence of Dy(III) ions in visible region. - Graphical abstract: A series of lanthanide coodination polymers, (Him) n [Ln(ip) 2 (H 2 O)] n [Ln=La(1), Pr(2), Nd(3) and Dy(4)] and [Y 2 (ip) 3 (H 2 O) 2 ] n .nH 2 O (5), have been reported. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 displays a 2-D network making of two kinds of quadruple-helical chains. Display Omitted

  6. Coordinate transformation based cryo-correlative methods for electron tomography and focused ion beam milling

    International Nuclear Information System (INIS)

    Fukuda, Yoshiyuki; Schrod, Nikolas; Schaffer, Miroslava; Feng, Li Rebekah; Baumeister, Wolfgang; Lucic, Vladan

    2014-01-01

    Correlative microscopy allows imaging of the same feature over multiple length scales, combining light microscopy with high resolution information provided by electron microscopy. We demonstrate two procedures for coordinate transformation based correlative microscopy of vitrified biological samples applicable to different imaging modes. The first procedure aims at navigating cryo-electron tomography to cellular regions identified by fluorescent labels. The second procedure, allowing navigation of focused ion beam milling to fluorescently labeled molecules, is based on the introduction of an intermediate scanning electron microscopy imaging step to overcome the large difference between cryo-light microscopy and focused ion beam imaging modes. These methods make it possible to image fluorescently labeled macromolecular complexes in their natural environments by cryo-electron tomography, while minimizing exposure to the electron beam during the search for features of interest. - Highlights: • Correlative light microscopy and focused ion beam milling of vitrified samples. • Coordinate transformation based cryo-correlative method. • Improved correlative light microscopy and cryo-electron tomography

  7. Development of a reference database for ion beam analysis. Summary report of the first research coordination meeting

    International Nuclear Information System (INIS)

    Vickridge, I.; Schwerer, O.

    2006-01-01

    A summary is given of the First Research Coordination Meeting on the Development of a Reference Database for Ion Beam Analysis, including background information, objectives, recommendations for measurements, and a list of tasks assigned to participants. The next research co-ordination meeting will be held in May 2007. (author)

  8. Stereognostic coordination chemistry. 1. The design and synthesis of chelators for the uranyl ion

    International Nuclear Information System (INIS)

    Franczyk, T.S.; Czerwinski, K.R.; Raymond, K.N.

    1992-01-01

    A new approach to the molecular recognition of metal oxo cations is introduced based on a ligand design strategy that provides at least one hydrogen bond donor for interaction with oxo group(s) as well as conventional electron pair donor ligands for coordination to the metal center. This concept of stereognostic coordination of oxo metal ions is exemplified in the design of four tripodal ligands-tris[2-(2-carboxyphenoxy)ethyl]amine[NEB],tris[3-(2-carboxyphenoxy)propyl]amine[NPB], tris[3-(2-carboxynaphthyl-3-oxy)propyl]amine [NPN], and tris[3-(2-carboxy=4octadecylphenoxy)propyl]amine[NPodB] - for sequestration of the uranyl ion. The ligands NEB, NPB, and NPN form 1:1 complexes with UO 2 2+ . The bidentate coordination of carboxyl groups of these compounds is indicated by the infrared spectra, which offer some support for the presence of a hydrogen bond to the uranyl group. Mass spectral data corroborate CPK model predictions that more than five intervening atoms between the tertiary nitrogen atom and the carboxylate groups are required for metal ion incorporation and monomeric complex formation. Solvent extractions of aqueous UO 2 2+ into chloroform solutions of the ligands have shown them to be powerful extractants. In the case of the very hydrophobic ligand NPodB the stoichiometry of the complexation reaction is shown to be 1:1 UO 2 /ligand complex formed by the release of 3 protons. The extraction is quantitative at pH 2.5, and an effective extraction coefficient of about 10 11 is estimated for neutral aqueous solutions of UO 2 2+ . 81 refs., 13 figs., 2 tabs

  9. Intramolecular electron transfer through a bridging carboxylate group coordinated to two cobalt(III)-ions

    International Nuclear Information System (INIS)

    Wieghardt, K.

    1978-01-01

    Reduction of the binuclear μ-p-nitrobenzoato -di-μ-hydroxo -bis[triammine cobalt(III)] cation with (CH 3 ) 2 COH radicals yields a radical cation with the p-nitrobenzoato radical being coordinated to two cobalt(III) ions at the carboxylic group. The unprotonated form of this species undergoes intramolecular electron transfer producing Co(II) (k = (3.3 +- 0.3). x 10 3 s -1 ). The role of the carboxylate group in the intramolecular electron transfer process is tentatively assessed in terms of an intramolecular outer-sphere reaction because of lack of overlap of the donor orbitals (π) and the acceptor orbital (sigma). The protonated form of the radical cation (pKsub(a) = 2.5) disproportionates via a bimolecular process without production of Co(II). The effect of two coordinated Co(III) ions as compared to only one on the properties of the nitrobenzoate radical anion are discussed. (orig.) 891 HK 892 GM [de

  10. Coordination Nature of 4-Mercaptoaniline to Sn(II Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV Complex

    Directory of Open Access Journals (Sweden)

    Eon S. Burkett

    2014-12-01

    Full Text Available The coordination of the bifunctional ligand 4-mercaptoaniline with aqueo us tin(II metal ion was studied. A coordination polymer was synthesized when an aqueous solution of SnCl2 was treated with 4-MA. The crystalline material is stable under atmospheric conditions retaining its oxidation state. However, when submerged in a solution saturated with oxygen, the compound oxidizes to a mononuclear tin(IV complex. Both the compounds were characterized by single crystal X-ray diffraction studies. Although the structure of the tin(IV complex was previously reported, crystal structure of this compound was redetermined.

  11. Luminescent lanthanide coordination polymers

    Energy Technology Data Exchange (ETDEWEB)

    Ma, L.; Evans, O.R.; Foxman, B.M.; Lin, W.

    1999-12-13

    One-dimensional lanthanide coordination polymers with the formula Ln(isonicotinate){sub 3}(H{sub 2}O){sub 2} (Ln = Ce, Pr, Nd, Sm, Eu, Tb; 1a-f) were synthesized by treating nitrate or perchlorate salts of Ln(III) with 4-pyridinecarboxaldehyde under hydro(solvo)thermal conditions. Single-crystal and powder X-ray diffraction studies indicate that these lanthanide coordination polymers adopt two different structures. While Ce(III), Pr(III), and Nd(III) complexes adopt a chain structure with alternating Ln-(carboxylate){sub 2}-Ln and Ln-(carboxylate){sub 4}-Ln linkages, Sm(III), Eu(III), and Tb(III) complexes have a doubly carboxylate-bridged infinite-chain structure with one chelating carboxylate group on each metal center. In both structures, the lanthanide centers also bind to two water molecules to yield an eight-coordinate, square antiprismatic geometry. The pyridine nitrogen atoms of the isonicotinate groups do not coordinate to the metal centers in these lanthanide(III) complexes; instead, they direct the formation of Ln(III) coordination polymers via hydrogen bonding with coordinated water molecules. Photoluminescence measurements show that Tb(isonicotinate){sub 3}(H{sub 2}O){sub 2} is highly emissive at room temperature with a quantum yield of {approximately}90%. These results indicate that highly luminescent lanthanide coordination polymers can be assembled using a combination of coordination and hydrogen bonds. Crystal data for 1a: monoclinic space group P2{sub 1}/c, a = 9.712(2) {angstrom}, b = 19.833(4) {angstrom}, c = 11.616(2) {angstrom}, {beta} = 111.89(3){degree}, Z = 4. Crystal data for 1f: monoclinic space group C2/c, a = 20.253(4) {angstrom}, b = 11.584(2) {angstrom}, c = 9.839(2) {angstrom}, {beta} = 115.64(3){degree}, Z = 8.

  12. Coordination kinetics of different metal ions with the amidoximated polyacrylonitrile nanofibrous membranes and catalytic behaviors of their complexes

    Energy Technology Data Exchange (ETDEWEB)

    Li, Fu; Dong, Yong Chun; Kang, Wei Min; Cheng, Bowen; Qu, Xiang; Cui, Guixin [School of Textiles, Tianjin Polytechnic University, Tianjin (China)

    2016-12-15

    Two transition metal ions (Fe{sup 3+} and Cu{sup 2+}) and a rare earth metal ion (Ce{sup 3+}) were selected to coordinate with amidoximated polyacrylonitrile (PAN) nanofibrous membrane for preparing three metal modified PAN nanofibrous membrane complexes (M-AO-n-PANs, M = Fe, Cu, or Ce) as the heterogeneous Fenton catalysts for the dye degradation in water under visible irradiation. The coordination kinetics of three metal ions with modified PAN nanofibrous membranes was studied and the catalytic properties of the resulting complexes were also compared. The results indicated that increasing metal ion concentrations in solution or higher coordination temperature led to a significant increase in metal content, particularly in Fe and Cu contents of the complexes. Their coordination process could be described using Langmuir isotherm and pseudo-second-order kinetic equations. Moreover, Fe-AO-n-PAN had the best photocatalytic efficiency for the dye degradation in acidic medium, but a lower photocatalytic activity than Cu-AO-n-PAN in alkali medium.

  13. Construction of Insulin 18-mer Nanoassemblies Driven by Coordination to Iron(II) and Zinc(II) Ions at Distinct Sites

    DEFF Research Database (Denmark)

    Munch, Henrik K.; Nygaard, Jesper; Christensen, Niels Johan

    2016-01-01

    coordination with two different metal ions. Selective attachment of an abiotic 2,2′-bipyridine (bipy) ligand to HI, yielding HI–bipy, enabled ZnII-binding hexamers to SA into trimers of hexamers, [[HI–bipy]6]3, driven by octahedral coordination to a FeII ion. The structures were studied in solution by small...

  14. Study of coordinated system Zn(II)- isoleucine-isoleuciante ion; Estudio del sistema coordinado Zn(II)-Isoleucina neutra-ion isolencionato

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz Morales, J.C.; Cuesta Gonzalez, M. de la; Cuesta Sanchez, M.; Rodriguez-Placeres, J.C. [Departamento de Quimica Fisica, Universidad de la Laguna, Tenerife (Spain)

    1996-11-01

    The polarographic method has been applied to the study of the coordinated system Zn(II)-isoleucine-isoleucinate ion, in aqueous medium, l=1.0M(NaClO{sub 4}) and T=25+- 0.05 degree centigree. The stabilization of the coordinated species [Zn(HI)]``2+ (Beta{sub 1}0=1.7), [Zn(I)]``+ (Beta{sub 0}1=5.6.10``4) and [Zn(HI)(I)]``+ (Beta{sub 1}1=1.1.10``5) has been stablished. (Author) 12 refs.

  15. Enhancement of oxygen reduction at Fe tetrapyridyl porphyrin by pyridyl-N coordination to transition metal ions

    International Nuclear Information System (INIS)

    Maruyama, Jun; Baier, Claudia; Wolfschmidt, Holger; Bele, Petra; Stimming, Ulrich

    2012-01-01

    One of the promising candidates as noble-metal-free electrode catalysts for polymer electrolyte fuel cells (PEFCs) is a carbon material with nitrogen atoms coordinating iron ions embedded on the surface (Fe-N x moiety) as the active site, although the activity is insufficient compared to conventional platinum-based electrocatalysts. In order to obtain fundamental information on the activity enhancement, a simple model of the Fe-N x active site was formed by adsorbing 5,10,15,20-Tetrakis(4-pyridyl)-21H,23H-porphine iron(III) chloride (FeTPyPCl) on the basal plane of highly oriented pyrolytic graphite (HOPG), and cathodic oxygen reduction was investigated on the surface in 0.1 M HClO 4 . The catalytic activity for oxygen reduction was enhanced by loading transition metal ions (Co 2+ , Ni 2+ , Cu 2+ ) together with FeTPyPCl. The X-ray photoelectron spectrum of the surface suggested that the metal was coordinated by the pyridine-N. The enhancement effect of the transition metals was supported by two different measurements: oxygen reduction at HOPG in 0.1 M HClO 4 dissolving FeTPyPCl and the metal ions; oxygen reduction in 0.1 M HClO 4 at the subsequently well-rinsed and dried HOPG. The ultraviolet–visible spectrum for the solution also suggested the coordination between the pyridyl-N and the metal ions. The oxygen reduction enhancement was attributed to the electronic interaction between the additional transition metal and the Fe center of the porphyrin through the coordination bonds. These results implied that the improvement of the activity of the noble-metal-free catalyst would be possible by the proper introduction of the transition metal ions around the active site.

  16. 5f state interaction with inner coordination sphere ligands: einsteinium 3+ ion fluorescence in aqueous and organic phases

    International Nuclear Information System (INIS)

    Beitz, J.V.; Wester, D.W.; Williams, C.W.

    1983-01-01

    The interaction between 5f electron states of einsteinium 3+ ion and coordinated ligands in solution has been probed using laser-induced fluorescence. Aquo einsteinium 3+ ion was observed to fluoresce from its first excited J = 5 state in a broad-band peaking at 9260 wavenumbers. The observed fluorescence lifetimes were 1.05 microseconds and 2.78 microseconds in H 2 O and D 2 O (99+ % D atom), respectively. The non-radiative decay rates derived from the lifetime data are compared with previously reported data for Cm, Sm, Eu, Tb, and Dy aquo 3+ ions. The 5f actinide states exhibit substantially greater non-radiative decay rates than do lanthanide 4f states of similar energy gap. This provides evidence that actinide 5f electrons interact more strongly with their inner coordination sphere than do lanthanide ion 4f electrons. The fluorescence lifetime of einsteinium 3+ ion complexed with 1 formal di(2-ethylhexyl)orthophosphoric acid in h-heptane was 2.34 microseconds. 3 figures, 1 table

  17. Need for reaction coordinates to ensure a complete basis set in an adiabatic representation of ion-atom collisions

    Science.gov (United States)

    Rabli, Djamal; McCarroll, Ronald

    2018-02-01

    This review surveys the different theoretical approaches, used to describe inelastic and rearrangement processes in collisions involving atoms and ions. For a range of energies from a few meV up to about 1 keV, the adiabatic representation is expected to be valid and under these conditions, inelastic and rearrangement processes take place via a network of avoided crossings of the potential energy curves of the collision system. In general, such avoided crossings are finite in number. The non-adiabatic coupling, due to the breakdown of the Born-Oppenheimer separation of the electronic and nuclear variables, depends on the ratio of the electron mass to the nuclear mass terms in the total Hamiltonian. By limiting terms in the total Hamiltonian correct to first order in the electron to nuclear mass ratio, a system of reaction coordinates is found which allows for a correct description of both inelastic channels. The connection between the use of reaction coordinates in the quantum description and the electron translation factors of the impact parameter approach is established. A major result is that only when reaction coordinates are used, is it possible to introduce the notion of a minimal basis set. Such a set must include all avoided crossings including both radial coupling and long range Coriolis coupling. But, only when reactive coordinates are used, can such a basis set be considered as complete. In particular when the centre of nuclear mass is used as centre of coordinates, rather than the correct reaction coordinates, it is shown that erroneous results are obtained. A few results to illustrate this important point are presented: one concerning a simple two-state Landau-Zener type avoided crossing, the other concerning a network of multiple crossings in a typical electron capture process involving a highly charged ion with a neutral atom.

  18. Bituminous solidification, disposal, transport and burial of spent ion-exchange resins. Part of a coordinated programme on treatment of spent ion exchange resins

    International Nuclear Information System (INIS)

    Mozes, G.; Kristof, M.

    1983-07-01

    The project dealing with the incorporation of spent ion-exchange resins into bitumen was performed within the Agency coordinated research programme on treatment of spent ion-exchange resins. Physical and chemical properties of commercial ion-exchange resins, bitumens and bituminized resins were studied. It was shown that bitumen with low oil content and with a softening point of 60-70 deg. C are applicable for the incorporation of resins. The final waste form is allowed to contain maximum 50% resin. The comprehensive study of the biological resistance of B-30 bitumen was performed. That showed that any bacteriological attack can be regarded as generally insignificant. A continuously operating technology was realized on a semi-plant scale. The best operating conditions of this technology were determined. On the basis of the experience gained from the experiments a design of the bituminization plant of 50m 3 dry resin/year treatment capacity was proposed

  19. A novel vanadosilicate with hexadeca-coordinated Cs{sup +} ions as a highly effective Cs{sup +} remover

    Energy Technology Data Exchange (ETDEWEB)

    Datta, Shuvo Jit; Moon, Won Kyung; Choi, Do Young; Hwang, In Chul; Yoon, Kyung Byung [Sogang Univ., Seoul (Korea, Republic of). Korea Center for Artificial Photosynthesis

    2014-07-07

    The effective removal of {sup 137}Cs{sup +} ions from contaminated groundwater and seawater and from radioactive nuclear waste solutions is crucial for public health and for the continuous operation of nuclear power plants. Various {sup 137}Cs{sup +} removers have been developed, but more effective {sup 137}Cs{sup +} removers are still needed. A novel microporous vanadosilicate with mixed-valence vanadium (V{sup 4+} and V{sup 5+}) ions is now reported, which shows an excellent ability for Cs{sup +} capture and immobilization from groundwater, seawater, and nuclear waste solutions. This material is superior to other known materials in terms of selectivity, capacity, and kinetics, and at very low Cs{sup +} concentrations, it was found to be the most effective material for the removal of radioactive Cs{sup +} ions under the test conditions. This novel vanadosilicate also contains hexadeca-coordinated Cs{sup +} ions, which corresponds to the highest coordination number ever described.

  20. Ftir study of CO interactions with Li+ ions in micro- and mesoporous matrices: coordination and localization of Li+ ions

    Czech Academy of Sciences Publication Activity Database

    Nachtigall, Petr; Frolich, K.; Drobná, H.; Bludský, Ota; Nachtigallová, Dana; Bulánek, R.

    2007-01-01

    Roč. 111, č. 30 (2007), s. 11353-11362 ISSN 1932-7447 R&D Projects: GA MŠk LC512; GA ČR GA203/06/0324; GA ČR GD203/03/H140 Institutional research plan: CEZ:AV0Z40550506 Keywords : zeolite * adsorption * coordination Subject RIV: CF - Physical ; Theoretical Chemistry

  1. Recovery of metals from simulant spent lithium-ion battery as organophosphonate coordination polymers in aqueous media

    Energy Technology Data Exchange (ETDEWEB)

    Perez, Emilie; Andre, Marie-Laure; Navarro Amador, Ricardo [ICSM, Institut de Chimie Séparative de Marcoule, UMR 5257, CEA/CNRS/ENSCM/UM, Bât 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Hyvrard, François; Borrini, Julien [SARPI VEOLIA, Direction Technique et Innovations, Zone portuaire de Limay-Porcheville, 427 route du Hazay, 78520 Limay (France); Carboni, Michaël, E-mail: michael.carboni@cea.fr [ICSM, Institut de Chimie Séparative de Marcoule, UMR 5257, CEA/CNRS/ENSCM/UM, Bât 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France); Meyer, Daniel [ICSM, Institut de Chimie Séparative de Marcoule, UMR 5257, CEA/CNRS/ENSCM/UM, Bât 426, BP 17171, 30207 Bagnols-sur-Cèze cedex (France)

    2016-11-05

    Highlights: • Original waste disposal strategies for battery. • Precipitation of metals as coordination polymers. • Organo-phosphonate coordination polymers. • Selective extraction of manganese or co-precipitation of manganese/cobalt. • The recycling process give a promising application on any waste solution. - Abstract: An innovative approach is proposed for the recycling of metals from a simulant lithium-ion battery (LIBs) waste aqueous solution. Phosphonate organic linkers are introduced as precipitating agents to selectively react with the metals to form coordination polymers from an aqueous solution containing Ni, Mn and Co in a hydrothermal process. The supernatant is analyzed by ICP-AES to quantify the efficiency and the selectivity of the precipitation and the materials are characterized by Scanning Electron Microscopy (SEM), Powder X-Ray Diffraction (PXRD), Thermogravimetric Analyses (TGA) and nitrogen gas sorption (BET). Conditions have been achieved to selectively precipitate Manganese or Manganese/Cobalt from this solution with a high efficiency. This work describes a novel method to obtain potentially valuable coordination polymers from a waste metal solution that can be generalized on any waste solution.

  2. 3. research coordination meeting on development of a reference data base for ion beam analysis. Summary report

    International Nuclear Information System (INIS)

    Abriola, D.; Vickridge, I.

    2009-12-01

    Highlights of the third and last Research Coordination Meeting are given with respect to the progress achieved in the Co-ordinated Research Project on Development of a Reference Database for Ion Beam Analysis. The meeting took place at the IAEA headquarters in Vienna from 27 March to 3 April 2009. Participants presented the results of their work and identified and assigned key tasks in pursuance of the final output of the CRP, in particular the update of the IBANDL library and the drafting of the final Technical Report of the CRP. In addition, a number of productive discussions took place concerning issues such as measurements, assessments, evaluations, benchmarks and recommendations. The main conclusions as well as lists of responsibilities and tasks towards the production of the final report are presented. (author)

  3. Summary report of second research coordination meeting on development of a reference database for ion beam analysis

    International Nuclear Information System (INIS)

    Vickridge, Ian; Schwerer, Otto

    2007-07-01

    Highlights of the 2nd Research Coordination Meeting (RCM) are given with respect to the progress achieved in the first 1 1/2 years of the Co-ordinated Research Project (CRP) on Development of a Reference Database for Ion Beam Analysis. Participants presented the results of their work to date, and identified and assigned key tasks required to ensure that the final output of the CRP is achieved. In addition, a number of lively and productive discussions took place concerning technical issues such as accelerator energy calibration, error reporting, accuracy of the existing IBANDL and EXFOR datasets for IBA, and procedures for producing recommended cross-section data. The main conclusions as well as lists of actions and tasks are presented in this report. (author)

  4. Development of a Reference Database for Ion Beam Analysis. Report of a Coordinated Research Project on Reference Database for Ion Beam Analysis

    International Nuclear Information System (INIS)

    2015-12-01

    Ion beam analysis techniques are non-destructive analytical techniques used to identify the composition and provide elemental depth profiles in surface layers of materials. The applications of such techniques are diverse and include environmental control, cultural heritage and conservation and fusion technologies. Their reliability and accuracy depends strongly on our knowledge of the nuclear reaction cross sections, and this publication describes the coordinated effort to measure, compile and evaluate cross section data relevant to these techniques and make these data available to the user community through a comprehensive online database. It includes detailed assessments of experimental cross sections as well as attempts to benchmark these data against appropriate integral measurements

  5. Synthesis, vibrational spectrometry and thermal characterizations of coordination polymers derived from divalent metal ions and hydroxyl terminated polyurethane as ligand

    Science.gov (United States)

    Laxmi; Khan, Shabnam; Kareem, Abdul; Zafar, Fahmina; Nishat, Nahid

    2018-01-01

    A series of novel coordination polyurethanes [HTPU-M, where M = Mn(II) 'd5', Ni(II) 'd8', and Zn(II) 'd10'] have been synthesized to investigate the effect of divalent metal ions coordination on structure, thermal and adsorption properties of low molecular weight hydroxyl terminated polyurethane (HTPU). HTPU-M have been synthesized in situ where, sbnd OH group of HTPU (synthesized by the condensation polymerization reaction of ethylene glycol (EG) and toluene diisocyanate (TDI) in presence of catalyst) on condensation polymerization with metal acetate in presence of acid catalyst synthesized HTPU-M followed by coordination of metal ions with hetero atoms. The structure, composition and geometry of HTPU-M have been confirmed by vibrational spectrometry (FTIR), 1H NMR, elemental analysis and UV-Visible spectroscopy. Morphological structures of HTPU-M were analyzed by X-Ray Diffraction analysis (XRD), Field Emission Scanning Electron Microscope (FE-SEM) with Energy Dispersive X-ray spectroscopy (EDX) and High Resolution Transmission Electron Microscope (HR-TEM) techniques. The thermal degradation pattern and thermal stability of HTPU-M in comparison to HTPU was investigated by thermal-gravimetric (TG)/differential thermal (DT), analyses along with Integral procedure decomposition temperature (IPDT) by Doyle method. The molecular weight of HTPU was determined by gel permeation chromatography (GPC). The preliminary adsorption/desorption studies of HTPU-M for Congo red (CR) was studied by batch adsorption techniques. The results indicated that HTPU-M have amorphous, layered morphology with higher number of nano-sized grooves in comparison to HTPU. Coordination of metal to HTPU plays a key role in enhancing the thermal stability [HTPU-Ni(II) > HTPU-Mn(II) > HTPU-Zn(II) > HTPU]. The HTPU-M can be utilized for industrial waste water treatment by removing environmental pollutants.

  6. EPR study of the coordination sphere of Mo5+ ions in UV-irradiated silica-supported molybdenum catalysts

    International Nuclear Information System (INIS)

    Canose, B.; Gonzalez-Elipe, A.R.; Che, M.

    1991-01-01

    The determination of the number of coordination vacancies existing at transition metal cations at the surface of bulk or supported oxides is of greater interest in relation to the adsorption and catalytic properties of such systems. In the case of paramagnetic cations, the authors have developed a method consisting of the recording of their first and third derivative EPR spectra after adsorption of 13 CO, ( 13 C, I = 1/2). In this way, the 13 C superhyperfine structure which is normally observed permits the determination of the number of CO molecules bonded to the metal center. In a recent EPR work published in this journal, Seyedmonir and Howe have reported the formation of a CO adduct of the tetrahedral Mo 5+ -OH - species formed by UV-irradiation at 20 K of a MoO 3 /SiO 2 catalyst in the presence of H 2 . In that work, although the structure of such an adduct could not be derived unambiguously on the basis of the g tensor values, the coordination of the Mo 5+ ion by two CO molecules was suggested. This would be in agreement with the previous results with thermally reduced V 2 O 5 /SiO 2 and MoO 3 /SiO 2 catalysts, where the coordination of, respectively, V 4+ and Mo 5+ tetrahedral centers by two CO molecules was proven by means of the combined use of 13 CO and third derivative EPR spectra. In the present work, using this approach, they have studied the structure of these Mo 5+ ions photochemically generated on MoO 3 /SiO 2 catalysts and concluded that only one CO molecule is bonded to the paramagnetic ion

  7. The inflation of ion strength in the formation of co-ordination compounds in system of the Fe(III)-Fe(II)-benzimidazole-water in the 298 K

    International Nuclear Information System (INIS)

    Nazarova, Kh.D.; Rajabov, U.R.; Yusupov, Z.N.

    2005-01-01

    With the Method of Oxredmatrion with application of the Oxidation Function in the Temperature 298 K and ion strength 0.1; 0.25; 0.50 and 1.00 in the Water solution of Benzimidazole been obtained the Formation Constants of the Coordination and their dependence with ion strength

  8. Magnetic anisotropy of a Co-II single ion magnet with distorted trigonal prismatic coordination

    DEFF Research Database (Denmark)

    Peng, Yan; Bodenstein, Tilmann; Fink, Karin

    2016-01-01

    calculations. Though the complex shows a slight deviation from an ideal trigonal prismatic coordination, the zero-field splitting as well as the g-tensor are strongly axial with D = -41 cm(-1) and E ... with a spin Hamiltonian of the form H = D(S-z(2) - S(S + 1)/3) + E(S-x(2) - S-y(2)) + mu(B)gS.B using an effective spin S = 3/2. Calculations on model complexes show the influence of the coordinating atoms and the deviation from the ideal trigonal prismatic coordination. As the distortion is reduced towards...... idealised D-3h, the zero field splitting increases and the g-tensor of the second Kramers doublet also becomes axial....

  9. Reducibility and Oxidation Activity of Cu Ions in Zeolites. Effect of Cu Ion Coordination and Zeolite Framework Composition

    Czech Academy of Sciences Publication Activity Database

    Bulánek, R.; Wichterlová, Blanka; Sobalík, Zdeněk; Tichý, J.

    2001-01-01

    Roč. 31, č. 1 (2001), s. 13-25 ISSN 0926-3373 R&D Projects: GA AV ČR IBS4040016 Grant - others:VW Stiftung(DE) 1/72937 Institutional research plan: CEZ:AV0Z4040901 Keywords : Cu ions * Cu-ZSM-5 * TPR by hydrogen Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.643, year: 2001

  10. Gas-phase fragmentation of coordination compounds: loss of CO(2) from inorganic carbonato complexes to give metal oxide ions

    Science.gov (United States)

    Dalgaard; McKenzie

    1999-10-01

    Using electrospray ionization mass spectrometry, novel transition metal oxide coordination complex ions are proposed as the products of the collision-induced dissociation (CID) of some carbonato complex ions through the loss of a mass equivalent to CO(2). CID spectra of [(tpa)CoCO(3)](+) (tpa = tris(2-pyridylmethyl)methylamine), [(bispicMe(2)en)Fe(&mgr;-O)(&mgr;-CO(3))Fe(bispicMe(2)en)]2+ (bispicMe(2)en = N,N'-dimethyl-N,N'-bis(2-pyridylmethy)eth- ane-1, 2-diamine) and [(bpbp)Cu(2)CO(3)](+) (bpbp(-) = bis[(bis-(2-pyridylmethyl)amino)methyl]-4-tertbutylpheno-lato(1-)), show peaks assigned to the mono- and dinuclear oxide cations, [(tpa)CoO](+), [(bispicMe(2)en)(2)Fe(2)(O)(2)]2+ and [(bpbp)Cu(2)O](+), as the dominant species. These results can be likened to the reverse of typical synthetic reactions in which metal hydroxide compounds react with CO(2) to give metal carbonato compounds. Because of the lack of available protons in the gas phase, novel oxide species rather than the more common hydroxide ions are generated. These oxide ions are relevant to the highly oxidizing species proposed in oxygenation reactions catalysed by metal oxides and metalloenzymes. Copyright 1999 John Wiley & Sons, Ltd.

  11. Syntheses, structures and properties of three new two-dimensional Cu(I)-Ln(III) heterometallic coordination polymers based on 2,2'-dipyridyl-5,5'-dicarboxylate ligands.

    Science.gov (United States)

    Zhao, Junwei; Cheng, Yamin; Shang, Sensen; Zhang, Fang; Chen, Li; Chen, Lijuan

    2013-12-01

    Three new two-dimensional Cu(I)-Ln(III) heterometallic coordination polymers [Ln(III)Cu2(I)(Hbpdc)4] · Cl · xH2O [Ln(III) = La(III), x = 8 (1); Ln(III) = Pr(III), x=9 (2); Ln(III) = Eu(III), x = 8 (3)] (H2bpdc = 2,2'-bipyridyl-5,5'-dicarboxylic acid) have been prepared under hydrothermal conditions and structurally characterized by elemental analyses, inductively coupled plasma atomic emission spectrometry (ICP-AES) analyses, IR spectra, X-ray photoelectron spectroscopy (XPS) and single-crystal X-ray diffraction. X-ray diffraction indicates that the isomorphic 1-3 display the two-dimensional sheet structure constructed from [Cu(I)(Hbpdc)2](-) fragments through Ln(3+) connectors. Moreover, the solid-state photoluminescence measurements of 3 indicate that the Eu(III) ions, Hbpdc(-) ligands and Cu(I) cations make contributions to its luminescent properties simultaneously. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Calculation of energetic characteristics of 3d-transition metal ion aquacomplexes in tetrahedral and octahedral coordination by broadened Hukkel method

    International Nuclear Information System (INIS)

    Zhogolev, D.A.; Bunyatyan, B.Kh.; Yatsimirskij, K.B.

    1975-01-01

    Aquacomplexes formation energies of bi- and trivalent ions of 3d transition metals from Sc to Ni in the tetrahedral and octahedral coordinations have been calculated to compare their energetic advantages. Unlike ions of alkali metals and halogens, a tendency for higher or at least equal energetic effect of the formation of a tetrahedral complex, compared to octahedral, is characteristic of the ions under study. This can be explained by an increase in the covalency degree of the bond ion-ligand and by a considerable charge transfer from ligands to the central ion in the case of transition elements

  13. Spectrophotometric and pH-Metric Studies of Ce(III, Dy(III, Gd(III,Yb(III and Pr(III Metal Complexes with Rifampicin

    Directory of Open Access Journals (Sweden)

    A. N. Sonar

    2011-01-01

    Full Text Available The metal-ligand and proton-ligand stability constant of Ce(III, Dy(III, Gd(III,Yb(III and Pr(III metals with substituted heterocyclic drug (Rifampicin were determined at various ionic strength by pH metric titration. NaClO4 was used to maintain ionic strength of solution. The results obtained were extrapolated to the zero ionic strength using an equation with one individual parameter. The thermodynamic stability constant of the complexes were also calculated. The formation of complexes has been studied by Job’s method. The results obtained were of stability constants by pH metric method is confirmed by Job’s method.

  14. Hydrothermal synthesis, crystal structure and properties of a novel chain coordination polymer constructed by tetrafunctional phosphonate anions and cobalt ions

    International Nuclear Information System (INIS)

    Guan, Lei; Wang, Ying

    2015-01-01

    A novel cobalt phosphonate, [Co(HL)(H 2 O) 3 ] n (1) (L=N(CH 2 PO 3 H) 3 3− ) has been synthesized by hydrothermal reaction at 150 °C and structurally characterized by X-ray diffraction, infrared spectroscopy, elemental and thermogravimetric analysis. Complex 1 features a 1D chain structure with double-channel built from CoO 6 octahedra bridged together by the phosphonate groups. Each cobalt ion is octahedrally coordinated by three phosphonate oxygen atoms and three water molecules. The coordinated water molecules can form the hydrogen bonds with the phosphonate oxygen atoms to link the 1D chains, building a 2D layered structure, further resulting in a 3D network. The luminescence spectrum indicates an emission maximum at 435 nm. The magnetic susceptibility curve exhibits a dominant antiferromagnetic behavior with a weakly ferromagnetic component at low temperatures. - Graphical abstract: The connectivity between cobalt ions and the ligands results in a chain structure with a 1D double-channel structure, which is constructed by A-type subrings and B-type subrings. - Highlights: • The tetrafunctional phosphonate ligand was used as the ligand. • A novel chain structure can be formed by A-type rings and B-type rings. • Two types of rings can form a 1D double-channel structure, along the c-axis

  15. Ion-Assisted Pulsed Laser Deposition of amorphous tetrahedral-coordinated carbon films

    Science.gov (United States)

    Friedmann, T. A.; Tallant, D. R.; Sullivan, J. P.; Siegal, M. P.; Simpson, R. L.

    1994-04-01

    A parametric study has been performed of amorphous tetrahedral carbon (a-tC) films produced by ion-assisted pulsed laser deposition (IAPLD). The ion voltage, current density, and feed gas composition (nitrogen in argon) have been varied. The resultant films were characterized by thickness, residual stress, Raman spectroscopy, and electrical resistivity. The Raman spectra have been fit to two gaussian peaks, the so called graphitic (G) peak and the disorder (D) peak. It has been found that the magnitude of the D peak and the residual compressive stress are inversely correlated. At low beam voltages and currents, the magnitude of the D peak is low, increasing as the ion beam voltage and current are raised. The ion beam voltage has the most dramatic effect on the magnitude of the D peak. At low voltages (200-500 V) the magnitude of the D peak is greater for ion beams with high percentages of nitrogen possibly indicative of C-N bonding in the films. At higher voltages (500-1500 V) the D peak intensity is less sensitive to the nitrogen content of the beam.

  16. Ligand induced structural isomerism in phosphine coordinated gold clusters revealed by ion mobility mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Ligare, Marshall R.; Baker, Erin M.; Laskin, Julia; Johnson, Grant E.

    2017-01-01

    Structural isomerism in ligated gold clusters is revealed using electrospray ionization ion mobility spectrometry mass spectrometry. Phosphine ligated Au8 clusters are shown to adopt more “extended” type structures with increasing exchange of methyldiphenylphosphine (MePPh2) for triphenylphosphine (PPh3). These ligand-dependant structure-property relationships are critical to applications of clusters in catalysis.

  17. Rational Synthesis of Hollow Prussian Blue Analogue Through Coordination Replication and Controlled-Etching for Cs-Ion Removal.

    Science.gov (United States)

    Xu, Jun; Bu, Fan-Xing; Guo, Yi-Fei; Zhang, Wei; Hu, Ming; Jiang, Ji-Sen

    2018-05-01

    Radioactive cesium pollution have received considerable attention due to the increasing risks in development of the nuclear power plants in the world. Although various functional porous materials are utilized to adsorb Cs+ ions in water, Prussian blue analogues (PBAs) are an impressive class of candidates because of their super affinity of Cs+ ions. The adsorption ability of the PBAs strongly relate to the mesostructure and interstitial sites. To design a hollow PBA with large number of interstitial sites, the traditional hollowing methods are not suitable owing to the difficulty in processing the specific PBAs with large number of interstitial sites. In this work, we empolyed a rational strategy which was to form a "metal oxide"@"PBA" core-shell structure via coordination replication at first, then utilized a mild etching to remove the metal oxide core, led to hollow PBA finally. The obtained hollow PBAs were of high crystallinity and large number of interstitial sites, showing a super adsorption performance for Cs+ ions (221.6 mg/g) within a short period (10 min).

  18. Nitrato-complexes of Y(III), La(III), Ce(III), Pr(III), Nd(III), Sm(III), Gd(III), Tb(III), Dy(III) and Ho(III) with 2-(2'-pyridyl) benzimidazole

    International Nuclear Information System (INIS)

    Mishra, A.; Singh, M.P.; Singh, V.K.

    1982-01-01

    The nitrato-complexes, [Y(PyBzH) 2 (NO 3 ) 2 ]NO 3 .H 2 O and Nd, Sm, Gd, Tb, Dy, Ho ; n=1-3, m=0-0.5 ; PyBzh=2-(2 -pyridyl)benzimidazole] are formed on interaction of the ligand with metal nitrates in ethanol. The electrical conductance values (116-129 ohm -1 cm 2 mol -1 ) suggest 1:1 electrolyte-nature of the complexes. Magnetic moment values of Ce(2.53 B.M.), Pr(3.62 B.M.), Nd(3.52 B.M.), Sm(1.70 B.M.), Gd(8.06 B.M.), Tb(9.44 B.M.), Dy(10.56 B.M.) and Ho(10.51 B.M.) in the complexes confirm the terpositive state of the metals. Infrared evidences are obtained for the existance of both coordinated (C 2 v) and uncoordinated (D 3 h) nitrate groups. Electronic absorption spectra of Pr(III)-, Nd(III)-, Sm(III)-, Tb(III)-, Dy(III)- and Ho(III)-complexes have been analysed in the light of LSJ terms. (author)

  19. Nitrato-complexes of Y(III), La(III), Ce(III), Pr(III), Nd(III), Sm(III), Gd(III), Tb(III), Dy(III) and Ho(III) with 2-(2'-pyridyl) benzimidazole

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, A; Singh, M P; Singh, V K

    1982-05-01

    The nitrato-complexes, (Y(PyBzH)/sub 2/(NO/sub 3/)/sub 2/)NO/sub 3/.H/sub 2/O and Nd, Sm, Gd, Tb, Dy, Ho ; n=1-3, m=0-0.5 ; PyBzh=2-(2 -pyridyl)benzimidazole) are formed on interaction of the ligand with metal nitrates in ethanol. The electrical conductance values (116-129 ohm/sup -1/cm/sup 2/mol/sup -1/) suggest 1:1 electrolyte-nature of the complexes. Magnetic moment values of Ce(2.53 B.M.), Pr(3.62 B.M.), Nd(3.52 B.M.), Sm(1.70 B.M.), Gd(8.06 B.M.), Tb(9.44 B.M.), Dy(10.56 B.M.) and Ho(10.51 B.M.) in the complexes confirm the positive state of the metals. Infrared evidences are obtained for the existance of both coordinated (C/sub 2/v) and uncoordinated (D/sub 3/h) nitrate groups. Electronic absorption spectra of Pr(III)-, Nd(III)-, Sm(III)-, Tb(III)-, Dy(III)- and Ho(III)-complexes have been analysed in the light of LSJ terms.

  20. Compatibility of nitrilotriacetic acid and 3-acetyl-4-hydroxy-6-methyl-2-pyrone in the coordination sphere of lanthanon ions

    International Nuclear Information System (INIS)

    Kadian, R.K.; Garg, B.S.; Singh, R.P.

    1982-01-01

    A study of the competetion of 3-acetyl-4-hydroxy-6-methyl-2-pyrone (dehydracetic acid, DHA) and nitrilotriacetic acid (NTA) in the coordination sphere of lanthanon ions has been carried out by calculating reproportionation constant which relates the stability of the mixed ligand complex to those of the parent complexes formed by the same ligands. It has been found that NTA and DHA are incompatible ligands and mixed ligand complexes formed are less stable than either of the parent complexes. The fact is also supported by the observed change in free energy occuring during mixed ligand complex formation. All these studies have been carried out at 30.0 +- 0.5 0 and μ-0.01 (NaClO 4 ) in 50 percent v/v aqueous dioxane medium. (author)

  1. Coordination of manganous ion at the active site of pyruvate, phosphate dikinase: the complex of oxalate with the phosphorylated enzyme

    International Nuclear Information System (INIS)

    Kofron, J.L.; Ash, D.E.; Reed, G.H.

    1988-01-01

    Electron paramagnetic resonance spectroscopy has been used to investigate the structure of the complex of manganous ion with the phosphorylated form of pyruvate, phosphate dikinase (E/sub p/) and the inhibitor oxalate. Oxalate, an analogue of the enolate of pyruvate, is competitive with respect to pyruvate in binding to the phosphorylated form of the enzyme. Superhyperfine coupling between the unpaired electrons of Mn(I) and ligands specifically labeled with 17 O has been used to identify oxygen ligands to Mn(II) in the complex with oxalate and the phosphorylated form of the enzyme. Oxalate binds at the active site as a bidentate chelate with Mn(II). An oxygen from the 3'-N-phosphohistidyl residue of the protein is in the coordination sphere of Mn(II), and at least two water molecules are also bound to Mn(II) in the complex. Oxalate also binds directly to Mn(II) in a complex with nonphosphorylated enzyme. The structure for the E/sub p/-Mn(II)-oxalate complex implies that simultaneous coordination of a phospho group and of the attacking nucleophile to the divalent cation is likely an important factor in catalysis of this phospho-transfer reaction

  2. Synthesis of manganese coordination polymer microspheres for lithium-ion batteries with good cycling performance

    International Nuclear Information System (INIS)

    Fei, Hailong; Liu, Xin; Li, Zhiwei; Feng, Wenjing

    2015-01-01

    Highlights: • We achieve controllable synthesis of manganese 2,5-thiophene dicarboxylate microspheres with DMF and CTABr. • We perform research on changes in morphologies and crystalline structure. • It is a new anode material for lithium-ion batteries with high capacity and good cycle stability. - Abstract: A simple and versatile method for preparation of novel manganese 2,5-thiophene dicarboxylate microspheres is developed via a surfactant-assisted solvo-thermal route, which are found to be a new high-energy anode material for lithium-ion batteries. It shows better cycling performance and higher discharge capacity than its counterpart of irregular shapes. A reversible capacity was achieved as high as 645.7 mA h g −1 after 250 cycles at a current density of 400 mA g −1 . Furthermore, the coulombic efficiency can be close to 100% even after 650 charge-discharge cycles at a current density of 500 mA g −1

  3. Simultaneous ionization and analysis of 84 anabolic androgenic steroids in human urine using liquid chromatography-silver ion coordination ionspray/triple-quadrupole mass spectrometry.

    Science.gov (United States)

    Kim, So-Hee; Cha, Eun-Ju; Lee, Kang Mi; Kim, Ho Jun; Kwon, Oh-Seung; Lee, Jaeick

    2014-01-01

    Metal ion coordination ionspray (M(+) CIS) ionization is a powerful technique to enhance ionization efficiency and sensitivity. In this study, we developed and validated an analytical method for simultaneous ionization and analysis of 84 anabolic androgenic steroids (65 exogenous and 19 endogenous) using liquid chromatography-silver ion coordination ionspray/triple-quadrupole mass spectrometry (LC-Ag(+) CIS/MS/MS). The concentrations of silver ions and organic solvents have been optimized to increase the amount of silver ion coordinated complexes. A combination of 25 μM of silver ions and methanol showed the best sensitivity. The validation results showed the intra- (0.8-9.2%) and inter-day (2.5-14.9%) precisions, limits of detection (0.0005-5.0 ng/mL), and matrix effect (71.8-100.3%) for the screening analysis. No significant ion suppression was observed. In addition, this method was successfully applied to analysis of positive samples from suspected abusers and useful for the detection of the trace levels of anabolic steroids in human urine samples. Copyright © 2014 John Wiley & Sons, Ltd.

  4. X-Ray K Absorption Edge Structures of Ligand Chlorine Ion in Some Cobalt Coordination Compounds

    Science.gov (United States)

    Obashi, Masayoshi; Matsukawa, Tokuo

    1983-03-01

    The X-ray Cl K absorption spectra in [Co(NH3)6]Cl3, [Co(NH3)5Cl]Cl2, trans-[Co(NH3)4Cl2]Cl and Cs2[CoCl4] are measured with a high-resolution vacuum two-crystal spectrometer. The spectra, except that of [Co(NH3)6]Cl3, show an extremely narrow absorption line at the absorption threshold. The result is interpreted on the basis of molecular orbital theory and it is proposed that the intensity of these narrow absorption lines depends on the chemical state between the cobalt and ligand chlorine ions. The narrow absorption line may well be attributed to transitions of the Cl 1s electron into the eg* antibonding orbitals having partially the 3p character of chlorine in [Co(NH3)5Cl]Cl2 and trans-[Co(NH3)4Cl2]Cl. In Cs2[CoCl4] it may be ascribed to the Cl 1s-t2* transitions.

  5. Surface modification of materials by ion implantations for industrial and medical applications. Final report of a co-ordinated research project

    International Nuclear Information System (INIS)

    2000-07-01

    The objectives of the Co-ordinated Research Project on Modification of Materials by Ion Treatment for Industrial Applications were to develop economically acceptable surface modification techniques leading to thick treated layers, to predict ion beam mixing and impurity atom migration during and after implantation, and to evaluate the tribological post-implantation properties and performance of treated components. This TECDOC summarises the current status and prospects in surface modification by ion implantation methodology and technology, providing new information in basic and applied research

  6. Surface modification of materials by ion implantations for industrial and medical applications. Final report of a co-ordinated research project

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2000-07-01

    The objectives of the Co-ordinated Research Project on Modification of Materials by Ion Treatment for Industrial Applications were to develop economically acceptable surface modification techniques leading to thick treated layers, to predict ion beam mixing and impurity atom migration during and after implantation, and to evaluate the tribological post-implantation properties and performance of treated components. This TECDOC summarises the current status and prospects in surface modification by ion implantation methodology and technology, providing new information in basic and applied research.

  7. Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.

    Science.gov (United States)

    Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming

    2013-11-21

    Reaction of the chiral ligand (-)-4,5-pinenepyridyl-2-pyrazine (L) with Ln(hfac)3·2H2O precursors [hfac(-) = 1,1,1,5,5,5-hexafluoroacetylacetonate, Ln = Sm(3+) (1), Eu(3+) (2), Tb(3+) (3) and Dy(3+) (4)] in methanol solution led to the formation of four noncentrosymmetric lanthanide complexes with the general formula [Ln(hfac)3L]n·H2O. The single-crystal X-ray diffraction analyses revealed that they are isostructural and take a one-dimensional (1D) chain structure based on the Ln(hfac)3L repeating units, in which the nine-coordinate Ln(3+) ions reside in a tricapped trigonal prism (TTP) environment never reported in previous 1D chain lanthanide complexes. The investigations of their photophysical properties showed that complexes 1, and 3 exhibit characteristic emissions of Sm(3+), Eu(3+) and Tb(3+) ions with respective luminescent lifetime values of 0.065, 1.066 and 0.129 ms, while complex 4 does not display any emission. The different luminescent intensities and lifetimes among them were further discussed in detail. Moreover, the magnetic properties of complexes 1-4 were assessed with a special emphasis on the Dy(3+) complex 4. Alternating-current (ac) magnetic susceptibility measurements indicated that field-induced two-step slow magnetic relaxation processes were observed in 4, indicating the single-molecule magnet (SMM) behavior of 4. In addition, the noncentrosymmetric complexes 1-4 crystallizing in the same polar point group (Cs) exhibit both ferroelectric and nonlinear optical properties at room temperature. All these features make them multifunctional crystalline molecule materials.

  8. Low-valent low-coordinated manganese(I) ion dimer: a temperature dependent W-band EPR study.

    Science.gov (United States)

    Sorace, Lorenzo; Golze, Christian; Gatteschi, Dante; Bencini, Alessandro; Roesky, Herbert W; Chai, Jianfang; Stückl, A Claudia

    2006-01-09

    W-Band EPR spectra of [[HC(CMeNAr)(2)]Mn](2) (Ar = 2,6-(i)Pr(2)C(6)H(3)) have been measured at different temperatures. The spectra show a behavior which is typical for an antiferromagnetically coupled dimer with excited states populating upon increasing temperature. By following the intensity variation of the different features of the spectra with temperature, we attributed different groups of resonances to the S = 1, 2, and 3 states of the dimer. Their corresponding spin Hamiltonian parameters were derived from simulations. The zero-field-splitting parameters measured in this way were D(S=1) = 1.57 cm(-1) and E(S=1) = 0.064 cm(-1), D(S=2) = 0.266 cm(-1) and E(S=2) = 0.0045 cm(-1), and D(S=3) = 0.075 cm(-1) and E(S=3) = 0. On the basis of the molecular structure of the system, we could estimate that zero-field splitting (ZFS) is the result of anisotropic exchange and single-ion anisotropic contributions of similar magnitude (|D| approximately 0.2 cm(-1)). These results allow a deeper insight into the electronic structure of the Mn(I) centers in low-coordination environments, further supporting the electronic structure of Mn(I) to be 4s(1)3d(5), as previously indicated by DFT calculations.

  9. One-Pot Synthesis of Co-Based Coordination Polymer Nanowire for Li-Ion Batteries with Great Capacity and Stable Cycling Stability

    Science.gov (United States)

    Wang, Peng; Lou, Xiaobing; Li, Chao; Hu, Xiaoshi; Yang, Qi; Hu, Bingwen

    2018-06-01

    Nanowire coordination polymer cobalt-terephthalonitrile (Co-BDCN) was successfully synthesized using a simple solvothermal method and applied as anode material for lithium-ion batteries (LIBs). A reversible capacity of 1132 mAh g-1 was retained after 100 cycles at a rate of 100 mA g-1, which should be one of the best LIBs performances among metal organic frameworks and coordination polymers-based anode materials at such a rate. On the basis of the comprehensive structural and morphology characterizations including fourier transform infrared spectroscopy, 1H NMR, 13C NMR, and scanning electron microscopy, we demonstrated that the great electrochemical performance of the as-synthesized Co-BDCN coordination polymer can be attributed to the synergistic effect of metal centers and organic ligands, as well as the stability of the nanowire morphology during cycling.[Figure not available: see fulltext.

  10. Radioactive probe studies of coordination modes of heavy metal ions from natural waters to functionalized magnetic nanoparticles

    CERN Document Server

    Carvalho Soares, J; Lopes, C; Araujo, J

    We propose to use PAC, Perturbed Angular Correlations, to study the local environment of ionic species (Hg$^{2+}$, Cd$^{2+}$) coordinated on functionalized magnetic nanoparticles. Studies include the analysis of different nanoparticle sizes (30-100nm), and the monitoring of time/steps dependence of the coordination of those cations at the nanoparticle surfaces. Combined with theoretical calculations, the obtained data will support the understanding of local coordination modes, which is essential to help to improve methods of magnetically assisted separation of such hazardous contaminants from water.

  11. On the nature of the outer-sphere coordination of bivalent f-elements with tetraphenylborate ion

    International Nuclear Information System (INIS)

    Mikheev, N.B.; Kulyukhin, S.A.

    1993-01-01

    On the basis of the data on complex formation of Eu 2+ , Yb 2+ and Es 2+ with tetraphenylborate ion (BPh 4 - ) in different media a conclusion is made that formation of outerspheric complexes between bivalent f-elements and BPh 4 :-ions occurs due to electron channeling from cation in unsaturated π-bonds of BPh 4 - ion with formation of exchangeable single-electron chemical bond. 9 refs.,1 tab

  12. Poly(2-hydroxyethyl methacrylate) grafted halloysite nanotubes as a molecular host matrix for luminescent ions prepared by surface-initiated RAFT polymerization and coordination chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Islam, Md. Rafiqul; Bach, Long Giang; Lim, Kwon Taek, E-mail: ktlim@pknu.ac.kr

    2013-07-01

    A fluorescent nanohybrid complex comprising of halloysite nanotubes (HNTs), poly(2-hydroxyethyl methacrylate) (PHEMA), and europium ions (Eu{sup 3+}) was synthesized by the combination of surface-initiated reversible addition-fragmentation chain transfer (SI-RAFT) polymerization and coordination chemistry. Initially, PHEMA was grafted from the HNTs by SI-RAFT and then reacted with succinic anhydride to provide carboxyl acid groups on the external layers of HNTs-g-PHEMA nanohybrids. The subsequent coordination of the nanohybrids with Eu{sup 3+} ions afforded photoluminescent Eu{sup 3+} tagged HNTs-g-PHEMA nanohybrid complexes (HNTs-g-PHEMA-Eu{sup 3+}). The structure, morphology, and fluorescence properties of the Eu{sup 3+} coordinated nanohybrid complexes were investigated by respective physical and spectral studies. FT-IR, XPS, and EDS analyses suggested the formation of the HNTs-g-PHEMA-Eu{sup 3+} nanohybrids. FE-SEM images indicated the immobilization of polymer layers on HNTs. TGA scans further demonstrated the grafting of PHEMA onto HNTs surface. The optical properties of HNTs-g-PHEMA-Eu{sup 3+} nanohybrid complexes were investigated by photoluminescence spectroscopy.

  13. Anhydrous thallium hydrogen L-glutamate: polymer networks formed by sandwich layers of oxygen-coordinated thallium ions cores shielded by hydrogen L-glutamate counterions.

    Science.gov (United States)

    Bodner, Thomas; Wirnsberger, Bianca; Albering, Jörg; Wiesbrock, Frank

    2011-11-07

    Anhydrous thallium hydrogen L-glutamate [Tl(L-GluH)] crystallizes from water (space group P2(1)) with a layer structure in which the thallium ions are penta- and hexacoordinated exclusively by the oxygen atoms of the γ-carboxylate group of the hydrogen L-glutamate anions to form a two-dimensional coordination polymer. The thallium-oxygen layer is composed of Tl(2)O(2) and TlCO(2) quadrangles and is only 3 Å high. Only one hemisphere of the thallium ions participates in coordination, indicative of the presence of the 6s(2) lone pair of electrons. The thallium-oxygen assemblies are shielded by the hydrogen l-glutamate anions. Only the carbon atom of the α-carboxylate group deviates from the plane spanned by the thallium ions, the γ-carboxylate groups and the proton bearing carbon atoms, which are in trans conformation. Given the abundance of L-glutamic and L-aspartic acid in biological systems on the one hand and the high toxicity of thallium on the other hand, it is worth mentioning that the dominant structural motifs in the crystal structure of [Tl(L-GluH)] strongly resemble their corresponding analogues in the crystalline phase of [K(L-AspH)(H(2)O)(2)].

  14. Target-Triggered Switching on and off the Luminescence of Lanthanide Coordination Polymer Nanoparticles for Selective and Sensitive Sensing of Copper Ions in Rat Brain.

    Science.gov (United States)

    Huang, Pengcheng; Wu, Fangying; Mao, Lanqun

    2015-07-07

    Copper ions (Cu(2+)) in the central nervous system play a crucial role in the physiological and pathological events, so simple, selective, and sensitive detection of cerebral Cu(2+) is of great importance. In this work, we report a facile yet effective fluorescent method for sensing of Cu(2+) in rat brain using one kind of lanthanide coordination polymer nanoparticle, adenosine monophosphate (AMP) and terbium ion (Tb(3+)), i.e., AMP-Tb, as the sensing platform. Initially, a cofactor ligand, 5-sulfosalicylic acid (SSA), as the sensitizer, was introduced into the nonluminescent AMP-Tb suspension, resulting in switching on the luminescence of AMP-Tb by the removal of coordinating water molecules and concomitant energy transfer from SSA to Tb(3+). The subsequent addition of Cu(2+) into the resulting SSA/AMP-Tb can strongly quench the fluorescence because the specific coordination interaction between SSA and Cu(2+) rendered energy transfer from SSA to Tb(3+) inefficient. The decrease ratio of the fluorescence intensities of SSA/AMP-Tb at 550 nm show a linear relationship for Cu(2+) within the concentration range from 1.5 to 24 μM with a detection limit of 300 nM. The method demonstrated here is highly selective and is free from the interference of metal ions, amino acids, and the biological species commonly existing in the brain such as dopamine, lactate, and glucose. Eventually, by combining the microdialysis technique, the present method has been successfully applied in the detection of cerebral Cu(2+) in rat brain with the basal dialysate level of 1.91 ± 0.40 μM (n = 3). This method is very promising to be used for investigating the physiological and pathological events that cerebral Cu(2+) participates in.

  15. Position of coordination of the lithium ion determines the regioselectivity of demethylations of 3,4-dimethoxymorphinans with L-selectride.

    Science.gov (United States)

    Wu, Huifang; Thatcher, Linn N; Bernard, Denzil; Parrish, Damon A; Deschamps, Jeffrey R; Rice, Kenner C; MacKerell, Alexander D; Coop, Andrew

    2005-06-23

    [reaction: see text] L-Selectride is an efficient agent for the 3-O-demethylation of opioids and is known to cleave the least hindered methoxyl group in a molecule. The treatment of a 3,4-dimethoxymorphinan containing a 6-ketal with L-Selectride gave selective 4-O-demethylation, rather than cleavage of the less hindered 3-methoxyl. In contrast, a 3,4-dimethoxymorphinan lacking a 6-ketal gave selective 3-O-demethylation, suggesting that the regiochemistry of L-Selectride-mediated O-demethylation can be manipulated through altering the position of coordination of the lithium ion.

  16. The thermodynamic of complex formation in system of the Fe(III)-Fe(II)-benzimidazole-water in the inflation of ion strength in the formation of co-ordination compounds in the 288 K

    International Nuclear Information System (INIS)

    Nazarova, Kh.D.; Rajabov, U.R.; Yusupov, Z.N.

    2005-01-01

    With the Method of Oxredmatrion with application of the Oxidation Function in the Temperature 288 K and ion strength 0.1; 0.25; 0.50 and 1.00 in the Water solution of Benzimidazole been obtained the Formation Constants of the Coordination and their dependence with ion strength

  17. New Insights of Graphite Anode Stability in Rechargeable Batteries: Li-Ion Coordination Structures Prevail over Solid Electrolyte Interphases

    KAUST Repository

    Ming, Jun

    2018-01-04

    Graphite anodes are not stable in most noncarbonate solvents (e.g., ether, sulfoxide, sulfone) upon Li ion intercalation, known as an urgent issue in present Li ions and next-generation Li–S and Li–O2 batteries for storage of Li ions within the anode for safety features. The solid electrolyte interphase (SEI) is commonly believed to be decisive for stabilizing the graphite anode. However, here we find that the solvation structure of the Li ions, determined by the electrolyte composition including lithium salts, solvents, and additives, plays a more dominant role than SEI in graphite anode stability. The Li ion intercalation desired for battery operation competes with the undesired Li+–solvent co-insertion, leading to graphite exfoliation. The increase in organic lithium salt LiN(SO2CF3)2 concentration or, more effectively, the addition of LiNO3 lowers the interaction strength between Li+ and solvents, suppressing the graphite exfoliation caused by Li+–solvent co-insertion. Our findings refresh the knowledge of the well-known SEI for graphite stability in metal ion batteries and also provide new guidelines for electrolyte systems to achieve reliable and safe Li–S full batteries.

  18. Formation constants of Sm(III), Dy(III), Gd(III), Pr(III) and Nd(III) complexes of tridentate schiff base, 2-[(1H-benzimidazol-2-yl-methylene) amino] phenol

    International Nuclear Information System (INIS)

    Omprakash, K.L.; Chandra Pal, A.V.; Reddy, M.L.N.

    1982-01-01

    A new tridentate schiff base, 2- (1H-benzimidazol-2-yl-methylene)amino phenol derived from benzimididazole-2-carbo-xaldehyde and 2-aminophenol has been synthesised and characterised by spectral and analytical data. Proton-ligand formation constants of the schiff base and metal-ligand formation constants of its complexes with Sm(III), Dy(III), Gd(III), Nd(III) and Pr(III) have been determined potentiometrically in 50% (v/v) aqueous dioxane at an ionic strength of 0.1M (NaClO 4 ) and at 25deg C using the Irving-Rossotti titration technique. The order of stability constants (logβ 2 ) is found to be Sm(III)>Dy(III)>Gd(III)>Pr(III)>Nd(III). (author)

  19. Formation constants of Sm(III), Dy(III), Gd(III), Pr(III) and Nd(III) complexes of tridentate schiff base, 2-((1H-benzimidazol-2-yl-methylene) amino) phenol

    Energy Technology Data Exchange (ETDEWEB)

    Omprakash, K L; Chandra Pal, A V; Reddy, M L.N. [Osmania Univ., Hyderabad (India). Dept. of Chemistry

    1982-03-01

    A new tridentate schiff base, 2- (1H-benzimidazol-2-yl-methylene)amino phenol derived from benzimididazole-2-carbo-xaldehyde and 2-aminophenol has been synthesised and characterised by spectral and analytical data. Proton-ligand formation constants of the schiff base and metal-ligand formation constants of its complexes with Sm(III), Dy(III), Gd(III), Nd(III) and Pr(III) have been determined potentiometrically in 50% (v/v) aqueous dioxane at an ionic strength of 0.1M (NaClO/sub 4/) and at 25deg C using the Irving-Rossotti titration technique. The order of stability constants (log..beta../sub 2/) is found to be Sm(III)>Dy(III)>Gd(III)>Pr(III)>Nd(III).

  20. Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism.

    Directory of Open Access Journals (Sweden)

    Shannon E Hill

    Full Text Available Dihydroneopterin triphosphate pyrophosphatase (DHNTPase, a member of the Mg2+ dependent Nudix hydrolase superfamily, is the recently-discovered enzyme that functions in the second step of the pterin branch of the folate biosynthetic pathway in E. coli. DHNTPase is of interest because inhibition of enzymes in bacterial folate biosynthetic pathways is a strategy for antibiotic development. We determined crystal structures of DHNTPase with and without activating, Mg2+-mimicking metals Co2+ and Ni2+. Four metal ions, identified by anomalous scattering, and stoichiometrically confirmed in solution by isothermal titration calorimetry, are held in place by Glu56 and Glu60 within the Nudix sequence motif, Glu117, waters, and a sulfate ion, of which the latter is further stabilized by a salt bridge with Lys7. In silico docking of the DHNTP substrate reveals a binding mode in which the pterin ring moiety is nestled in a largely hydrophobic pocket, the β-phosphate activated for nucleophilic attack overlays with the crystallographic sulfate and is in line with an activated water molecule, and remaining phosphate groups are stabilized by all four identified metal ions. The structures and binding data provide new details regarding DHNTPase metal requirements, mechanism, and suggest a strategy for efficient inhibition.

  1. Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Shannon E.; Nguyen, Elaine; Ukachukwu, Chiamaka U.; Freeman, Dana M.; Quirk, Stephen; Lieberman, Raquel L.; Boggon, Titus J.

    2017-07-25

    Dihydroneopterin triphosphate pyrophosphatase (DHNTPase), a member of the Mg2+ dependent Nudix hydrolase superfamily, is the recently-discovered enzyme that functions in the second step of the pterin branch of the folate biosynthetic pathway in E. coli. DHNTPase is of interest because inhibition of enzymes in bacterial folate biosynthetic pathways is a strategy for antibiotic development. We determined crystal structures of DHNTPase with and without activating, Mg2+-mimicking metals Co2+ and Ni2+. Four metal ions, identified by anomalous scattering, and stoichiometrically confirmed in solution by isothermal titration calorimetry, are held in place by Glu56 and Glu60 within the Nudix sequence motif, Glu117, waters, and a sulfate ion, of which the latter is further stabilized by a salt bridge with Lys7. In silico docking of the DHNTP substrate reveals a binding mode in which the pterin ring moiety is nestled in a largely hydrophobic pocket, the β-phosphate activated for nucleophilic attack overlays with the crystallographic sulfate and is in line with an activated water molecule, and remaining phosphate groups are stabilized by all four identified metal ions. The structures and binding data provide new details regarding DHNTPase metal requirements, mechanism, and suggest a strategy for efficient inhibition.

  2. Development and characterization of semiconductor materials by ion beams. Final report of a co-ordinated research project

    International Nuclear Information System (INIS)

    2002-06-01

    This CRP was recommended by the Consultants meeting on Ion Beam Techniques Applied to Semiconductor and Related Advanced Materials, held in April 1997 in Vienna. The consultants proposed to have a CRP in the field of application of MeV ion beams for the development and characterization of semiconductor materials. The CRP was approved and a first RCM was held in Vienna between 2-5 June 1998, in order to stimulate ideas and to promote collaborations among CRP participants. The goals and practical outcomes of the CRP were defined and several specific topics were identified including: optoelectronic characterization of semiconductor materials and devices by ion microbeams, characterization of thin films, defect transformations in semiconductors, light element analysis. One important recommendation was that sample exchanges among different laboratories be strongly encouraged. The participants presented individual activities on their projects, all subjects of research were identified and linked with approved individual projects. Collaboration among the participants was discussed and established. Some modifications to work plans were adopted. As proposed during the first RCM, the final RCM was held at the Ruder Boskovic Institute, Zagreb, Croatia, between 25 and 29 September 2000, with the purpose of reviewing/discussing the results achieved during the course of the CRP and to prepare a draft of the final report and associated publication. This document contains summary of the CRP and ten individual reports presented by participants. Each of the reports has been indexed separately

  3. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    nescence, considerable attention has been focused on the construction of coordination .... measurements were performed on ground powder samples at .... Figure 2. (a) Coordination environment of Co1 ion in compound 2. (b) Coordination.

  4. A-site ordered perovskite CaCu3Cu2Ir2O12−δ with square-planar and octahedral coordinated Cu ions

    International Nuclear Information System (INIS)

    Zhao Qing; Wang Qing-Tao; Yin Yun-Yu; Dai Jian-Hong; Shen Xi; Yang Jun-Ye; Yu Ri-Cheng; Long You-Wen; Hu Zhi-Wei; Li Xiao-Dong

    2016-01-01

    A novel CaCu 3 Cu 2 Ir 2 O 12−δ polycrystalline sample was synthesized at 8 GPa and 1373 K. Rietveld structural analysis shows that this compound crystallizes in an -type A-site ordered perovskite structure with space group Im-3. X-ray absorption spectra reveal a +2-charge state for both the square-planar and octahedral coordinated Cu ions, and the valence state of Ir is found to be about +5. Although the A-site Ca and the A′-site Cu 2+ are 1:3 ordered at fixed atomic positions, the distribution of B-site Cu 2+ and Ir 5+ is disorderly. As a result, no long-range magnetic ordering is observed at temperatures down to 2 K. Electrical transport and heat capacity measurements demonstrate itinerant electronic behavior. The crystal structure is stable with pressure up to 35.7 GPa at room temperature. (paper)

  5. Two novel penetrating coordination polymers based on flexible S-containing dicarboxylate acid with sensing properties towards Fe3+ and Cr2O72- ions

    Science.gov (United States)

    Chen, Zhiwei; Mi, Xiuna; Wang, Suna; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin

    2018-05-01

    Two new coordination polymers (CPs), namely, {[Zn(L)(bpp)]·DMF}n (1) and {[Zn(L)(bpe)]·DMF}n (2) (L = 2,2'-[benzene-1,3-diylbis(methanediylsulfanediyl)]dibenzoic acid, bpp= 1,3-bis(4-pyridyl)propane, bpe = 1,2-Bis(4-pyridyl)ethylene, DMF = N,N-Dimethylformamide), have been solvothermally synthesized and fully characterized. Complex 1 displays a 2D→2D three-fold"false" interpenetrating structure while complex 2 possesses a novel 3-D 4-connected structure with fascinating self-penetrating moieties. The luminescence studies reveal that these complexes exhibited excellent selectivity for Fe3+ and Cr2O72- ions in DMF. The sensing mechanism was investigated through PXRD, XPS , EDS mapping measurements, and discussed in details.

  6. Studies on coordination chemistry and biological activities of a nitrogen-sulfur donor ligand with lighter and heavier metal ions

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Asmadi, A.; Talib, S.M.S.; Ali, A.M.; Crouse, K.A.

    1999-05-01

    Complexes of S-benzyldithiocarbazate (SBDTC) with lighter and heavier metals, viz., Cr(III), Fe(III), Sb(III), Zr(IV), Th(IV), and U(VI) have been prepared and characterized by elemental analyses, conductivity measurements, and spectral studies. The complexes were all prepared in alkaline media with the compositions of [Cr(SBDTCA) 3 ], [Fe(SBDTCA) 3 ], [Sb(SBDTCA) 3 ], [Sb(SBDTCA) 2 CI.H 2 O], [Zr(O)(SBDTCA) 2 .H 2 O], [Th(SBDTCA)(NO 3 ) 3 .H 2 O)], and [U(O) 2 (SBDTCA) 2 ]. The complexes were all hexa-coordinated with bidentate, uninegative chelation of the ligand. [Fe(SBDTCA) 3 ], [Sb(SBDTCA) 3 ] and [Sb(SBDTCA) 2 CI.H 2 O] were strongly effective against bacteria, Pseudomonas aeruginosa and Bacillus cereus giving clear inhibition zones. The compounds were poor antifungal. (author)

  7. Rare earth ions doped polyaniline/cobalt ferrite nanocomposites via a novel coordination-oxidative polymerization-hydrothermal route: Preparation and microwave-absorbing properties

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Chunming; Jiang, Junjun; Liu, Xiaohua; Yin, Chengjie; Deng, Cuifen

    2016-04-15

    Polyaniline/CoRE{sub x}Fe{sub 2−x}O{sub 4} (RE=La, Ce, Y, x=0.05–0.25) nanocomposites were successfully synthesized by a novel coordination-oxidative polymerization-hydrothermal method, and doped by sulfosalicylic acid. The resultant nanocomposites were characterized by scanning electron microscope (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), vibrating sample magnetometer (VSM) and electromagnetic measurements. The composites mainly showed nanofibers with a diameter of ca. 70 nm and a length longer than 2 μm. The surface of composites was uniformly covered with numerous nanoparticles with an average size of ca. 10–20 nm. Microwave absorption properties of polyaniline/CoRE{sub x}Fe{sub 2−x}O{sub 4} nanocomposites doped with La ion were found to be better than those doped with Ce and Y ions. For the polyaniline/CoLa{sub x}Fe{sub 2−x}O{sub 4} nanocomposite, the optimal microwave absorption performance is at x=0.15, that is, the mass ratio of La in CoLa{sub x}Fe{sub 2−x}O{sub 4} is 7.5%, with the conductivity of the composite about 0.833 S/cm. Furthermore, when the layer thickness is 2 mm, the maximum reflection loss achieves the maximum number of −42.65 dB at 15.91 GHz with a bandwidth of 6.14 GHz above −10 dB loss, suggesting that these nanocomposites are excellent in microwave absorbing capacity. - Graphical abstract: Scheme PAn/CoRE{sub x}Fe{sub 2−x}O{sub 4} nanocomposites prepared via a novel coordination-oxidative polymerization-hydrothermal route. - Highlights: • An organic–inorganic hybrid―polyaniline/CoRE{sub x}Fe{sub 2−x}O{sub 4} (RE=La, Ce, Y, x=0.05–0.25) nanocomposites was prepared via a novel coordination-oxidative polymerization-hydrothermal route. • The as-prepared polyaniline/CoRE{sub x}Fe{sub 2−x}O{sub 4} nanocomposites exhibit excellent microwave absorbing performance compared with the composites prepared by using conventional method. • The novel method reported in this work could

  8. Rare earth ions doped polyaniline/cobalt ferrite nanocomposites via a novel coordination-oxidative polymerization-hydrothermal route: Preparation and microwave-absorbing properties

    International Nuclear Information System (INIS)

    Yang, Chunming; Jiang, Junjun; Liu, Xiaohua; Yin, Chengjie; Deng, Cuifen

    2016-01-01

    Polyaniline/CoRE_xFe_2_−_xO_4 (RE=La, Ce, Y, x=0.05–0.25) nanocomposites were successfully synthesized by a novel coordination-oxidative polymerization-hydrothermal method, and doped by sulfosalicylic acid. The resultant nanocomposites were characterized by scanning electron microscope (SEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), vibrating sample magnetometer (VSM) and electromagnetic measurements. The composites mainly showed nanofibers with a diameter of ca. 70 nm and a length longer than 2 μm. The surface of composites was uniformly covered with numerous nanoparticles with an average size of ca. 10–20 nm. Microwave absorption properties of polyaniline/CoRE_xFe_2_−_xO_4 nanocomposites doped with La ion were found to be better than those doped with Ce and Y ions. For the polyaniline/CoLa_xFe_2_−_xO_4 nanocomposite, the optimal microwave absorption performance is at x=0.15, that is, the mass ratio of La in CoLa_xFe_2_−_xO_4 is 7.5%, with the conductivity of the composite about 0.833 S/cm. Furthermore, when the layer thickness is 2 mm, the maximum reflection loss achieves the maximum number of −42.65 dB at 15.91 GHz with a bandwidth of 6.14 GHz above −10 dB loss, suggesting that these nanocomposites are excellent in microwave absorbing capacity. - Graphical abstract: Scheme PAn/CoRE_xFe_2_−_xO_4 nanocomposites prepared via a novel coordination-oxidative polymerization-hydrothermal route. - Highlights: • An organic–inorganic hybrid―polyaniline/CoRE_xFe_2_−_xO_4 (RE=La, Ce, Y, x=0.05–0.25) nanocomposites was prepared via a novel coordination-oxidative polymerization-hydrothermal route. • The as-prepared polyaniline/CoRE_xFe_2_−_xO_4 nanocomposites exhibit excellent microwave absorbing performance compared with the composites prepared by using conventional method. • The novel method reported in this work could be employed to prepare other conductive polymers/inorganic nanocomposites as well.

  9. Role of Al coordination in barium phosphate glasses on the emission features of Ho{sup 3+} ion in the visible and IR spectral ranges

    Energy Technology Data Exchange (ETDEWEB)

    Satyanarayana, T.; Kalpana, T.; Ravi Kumar, V. [Department of Physics, Acharya Nagarjuna University-Nuzvid Campus, Nuzvid-521 201, A.P. (India); Veeraiah, N., E-mail: nvr8@rediffmail.co [Department of Physics, Acharya Nagarjuna University-Nuzvid Campus, Nuzvid-521 201, A.P. (India)

    2010-03-15

    The glasses of the composition (39-x)BaO-xAl{sub 2}O{sub 3}-60P{sub 2}O{sub 5}:1.0Ho{sub 2}O{sub 3} (in mol%) with x value ranging from 1.0 to 4.0 have been synthesized. The IR spectral studies of these glasses have indicated that there is a gradual transformation of Al{sup 3+} ions from tetrahedral to octahedral with increase in the concentration of Al{sub 2}O{sub 3} up to 3.0 mol%. Optical absorption and fluorescence spectra (in the visible and NIR regions) of these glasses have been recorded at room temperature. The Judd-Ofelt theory could successfully be applied to characterize the absorption and luminescence spectra of Ho{sup 3+} ions in these glasses. From the luminescence spectra, various radiative properties like transition probability A, branching ratio beta{sub r}, the radiative lifetime tau{sub r} and emission cross-section sigma{sup E} for various emission levels of these glasses have been evaluated. The radiative lifetime of the {sup 5}S{sub 2}->{sup 5}I{sub 8} (green emission) transition has also been measured. The variations observed in these parameters have been discussed in the light of varying co-ordinations (tetrahedral and octahedral positions) of Al{sup 3+} ions in the glass network. The influence of hydroxyl groups on the luminescence efficiency of the transition {sup 5}S{sub 2}->{sup 5}I{sub 8} has also been discussed. Finally the optimum concentration of Al{sub 2}O{sub 3} for getting maximum luminescence output has also been identified and reported.

  10. Incineration of ion-exchange resins in fluidized bed. Part of a coordinated programme on treatment of spent ion exchange resins

    International Nuclear Information System (INIS)

    Valkianinen, M.

    1980-10-01

    Incineration of ion-exchange resins in a fluidized bed was studied on the pilot plant scale. The test programme performed consisted of the testing of various bed materials and finding the optimal conditions of incineration of spent resins. Granular resins were incinerated in an ethanol-water mixture. Incinernation converts the organic resin into inert oxide material, which can be solidified for instance with cement. The weight of the ash was 1...20% and the volume 2...30% of the original resins, which contained 15...25% moisture. When solidified with cement the volume of the ash-concrete is 4...22% of the concrete of equal compressive strength acquired by direct solidification. Water immersion and heat tests of solidified ash showed satisfactory results. The absorption of Cs and Co in various bed materials was studied by means of inactive tracer materials. Biotite and chamotte absorbed significantly, but this absorption does not drastically help on the off gas side. The sintering of the bed materials in the presence of sodium was studied. Corundum, chamotte and biotite have a safety limit of 5% sodium of the bed's weight at 850 0 C

  11. Studies on coordination chemistry and bioactivity of complexes of a tridentate ONS Schiff base with some heavier transition metal ions

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Tan Mei Lin; Ali, A.M.

    2003-09-01

    A tridentate Schiff base, S-benzyl-β-N-(2-hydroxyphenyl)methylenedithiocarbazate, (HONSH), with a donor sequence of ONS, was synthesized from the condensation of S-benzyldithiocarbazate (SBDTC) with an equimolar amount of 2-hydroxybenzaldehyde in absolute ethanol. The reactions of HONSH with metal ions [La(III), Ce(IV) and Th(IV)] yielded complexes of compositions, [La(ONS)NO 3 .2H 2 O], [Ce(ONS)(NO 3 ) 2 ] and [Th(ONS) 2 ]. The ligands and the complexes were characterized from elemental analyses and spectroscopic measurements. The metal complexes were found to be active against colon cancer cell lines with the CD 50 values of 27.5, 28.4 and 19.3 μg/ml for the La(III), Ce(FV) and Th(IV) complexes, respectively. The La(IH) complex was found to be very active against leukemic cell lines with the CD 50 value of 6.8 μg/ml. (author)

  12. Syntheses and crystal structures of two novel alkaline uranyl chromates A2(UO2)(CrO4)2 (A=Rb, Cs) with bidentate coordination mode of uranyl ions by chromate anions

    International Nuclear Information System (INIS)

    Siidra, Oleg I.; Nazarchuk, Evgeny V.; Krivovichev, Sergey V.

    2012-01-01

    Single crystals of Cs 2 (UO 2 )(CrO 4 ) 2 and Rb 2 (UO 2 )(CrO 4 ) 2 were prepared by solid state reactions. The structures are based upon the [(UO 2 )(CrO 4 ) 2 ] 2− chains. Within the chains, UrO 5 pentagonal bipyramids (Ur=uranyl) form Ur 2 O 8 dimers, which are linked via CrO 4 tetrahedra into one-dimensional chains. The CrO 4 tetrahedra coordinate uranyl ions in both mono- and bidentate fashion, which is unusual for uranyl chromates. The bidentate coordination has a strong influence upon geometrical parameters of both U and Cr coordination polyhedra. The conformation of the chains in 1 and 2 is different due to the different size of the Cs + and Rb + cations. - Graphical abstract: Uranyl chromate chain with monodentate and bidentate coordination mode of uranyl cations by CrO 4 tetrahedra in Cs 2 (UO 2 )(CrO 4 ) 2 . Highlights: ► Single crystals of novel uranyl chromates were prepared by solid state reactions. ► The CrO 4 tetrahedra coordinate uranyl ions in both mono- and bidentate fashion. ►The bidentate coordination has a strong influence upon geometrical parameters.

  13. Selective sensing of two novel coordination polymers based on tris(4-carboxylphenyl)phosphine oxide for organic molecules and Fe3+ and Hg2+ ions

    Science.gov (United States)

    Huo, Liangqin; Zhang, Jie; Gao, Lingling; Wang, Xiaoqing; Fan, Liming; Fang, Kegong; Hu, Tuoping

    2017-12-01

    Two novel coordination polymers, formulated as {[Zn(HTPO)(bib)]·4H2O}n (1), {[Cu3(TPO)2 (bib)3]·2DMF·0.5EtOH·0.5H2O}n (2) (H3TPO = tris(4-carboxylphenyl)phosphine oxide; bib = 1,4-bis(1H-imidazol-4-yl) benzene), have been synthesized under solvothermal method and characterized by single-crystal X-ray diffraction, elemental analysis (EA), IR spectra, thermogravimetric (TG) analysis, powder X-ray diffraction (PXRD). Structural analysis reveals that complex 1 is a 2D 4-connected sheet with an intriguing 2D + 2D→2D network. Complex 2 displays a 3D 3,4-connected net with the point symbol of {103}2{106}3. Furthermore, the photoluminescence properties of 1 and 2 were investigated in the solid state and various solvent emulsions, the results show that 1 and 2 have better fluorescent recognition for organic molecules, Fe3+ and Hg2+ ions.

  14. Porphyrin coordination polymer nanospheres and nanorods

    Science.gov (United States)

    Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.

    2012-12-04

    A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

  15. Effect of chelate ring sizes and their substitution on intensities of hypersensitive transitions of lanthanoids (Ln(III)) ions and j (total quantum number profiles)

    International Nuclear Information System (INIS)

    Dubey, J.; Pandey, P.; Yadav, A.; Limaye, S.N.

    1998-01-01

    Full text: Electronic spectral studies of Pr(III), Nd(III), Sm(III) Dy(III), Eu(III) and Tm(III) complexes with some aliphatic and aromatic O-O donor ligands viz., Glycolic (gly), Malonic (main) Succinic (suc), Glutaric (glut), Salicylic (sal), Phthalic acids and Catechol (cat) having varied chelate ring sizes and different substitutions as side chains have been carried out with a view to study the effect of chelate ring sizes on the intensities of hypersensitive and pseudo-hypersensitive transitions in lanthanoids. The intensities of these HST transitions have also been correlated with the total quantum number (J) of the lanthanoid metal ions in order to seek a probable mechanism for the phenomenon hypersensitivity. A comparison of the spectral and nephelauxetic parameters for Pr(III), Nd(III), Sm(III) with Dy(III) Er(III) and Tm(III) exhibit a variation in the bonding pattern from electrostatic to covalo-electrostatic from pre-Gd elements to post-Gd elements. The J-(total) quantum number profiles of the oscillator strength values for the specific HST transitions have also been examined

  16. Synthesis and characterization of La(III), Pr(III), Nd(III), Sm(III), Eu(III), Gd(III), Tb(III) and Dy(III) complexes of 2-acetylfuran-2-thenoylhydrazone

    International Nuclear Information System (INIS)

    Singh, B.; Singh, Praveen K.

    1998-01-01

    The reaction of 2-acetylfuran-2-thenoylhydrazone(afth) with Ln(III) trichlorides yields complexes of the type [Ln(afth)Cl 2 (H 2 O)(EtOH)]Cl, [Ln(III) = La, Pr, Nd, Sm, Eu, Gd, Tb and Dy]. The complexes have been characterized by molar conductance, magnetic susceptibility and TGA and DTA measurements, magnetic susceptibility and TGA and DTA measurements, FAB mass, infrared, proton NMR, electronic absorption and emission spectra. The terbium complex is found to be monomer from the FAB mass spectrum. The IR and NMR spectra suggest neutral tridentate behaviour of the Schiff base. A coordination number seven is proposed around the metal ions. Emission spectra suggest C 3v , symmetry around the metal ion with capped octahedron geometry for the europium complex. (author)

  17. Three luminescent d{sup 10} metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu{sup 2+} ion and nitrobenzene

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Wei-Ping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorg. Chem., College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China); Institute of Functional Materials, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science & Engineering, Zigong 643000 (China); Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorg. Chem., College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China); Wang, Yao-Yu, E-mail: wyaoyu@nwu.edu.cn [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorg. Chem., College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China)

    2015-08-15

    Three 2D luminescent coordination polymers with helical frameworks, [ZnL{sub 2}]{sub n} (1) and ([ML{sub 2}]·(H{sub 2}O)){sub n} (M=Zn (2), Cd (3)) (HL=4-((2-methyl-1 H-imidazol-1-yl)methyl)benzoic acid), have been assembled under hydro(solvo)thermal conditions. Complex 1 is in chiral space group and displays a rare 2D→2D 2-fold parallel interpenetrated layer network with two types of chiral double helixes. Interestingly, the single crystal structure analyses indicate the coexistence of enantiomers la and 1b in one pot, while the bulk crystallization of 1 are racemic mixtures based on the CD measurement. 2 and 3 are isostructural, in the structure, there are two kinds of 2D chiral helical-layers which stack in an -ABAB- sequence leading to the overall structure are mesomer and achiral. All compounds display intense luminescence in solid state at room temperature with high chemical and thermal stability. More importantly, 1 has been successfully applied in the detection of Cu{sup 2+} ions in aqueous media and nitrobenzene and the probable detecting mechanism was also discussed. - Graphical abstract: Three luminescent d{sup 10} metal coordination polymers with helical-layer based on 4-((2-methyl-1H-imidazol-1-yl)methyl)benzoic acid have been obtained. Compound 1 shows high selective detecting for Cu{sup 2+} ion in aqueous and nitrobenzene. - Highlights: • Three coordination polymers with chiral helical-layer have been obtained. • 1 Can luminescent detect Cu{sup 2+} ion in aqueous media and nitrobenzene. • Racemic mixture or mesomer compounds can be obtained by controlling the reaction conditions.

  18. Poisson Coordinates.

    Science.gov (United States)

    Li, Xian-Ying; Hu, Shi-Min

    2013-02-01

    Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

  19. Ultraviolet spectroscopy and metal ions detection

    International Nuclear Information System (INIS)

    Chaudry, M.A.

    1995-01-01

    The spectrochemical analysis is based on the interaction of radiation with the chemical species and depends on their nature, having pi, sigma or electrons, or d and f electrons, UV. Visible spectrophotometry has been used extensively in the detection and determination of both organics and inorganics. In UV detection the sensitivity is proportional to the bath length and the excitation coefficient of the given sample. It may be insensitive to many species unless these are converted to UV, absorbing derivatives. The technique has been applied for the monitoring of the effluents from HPLC, as chlorides or other complexes of various elements in this article the utility of HCl as reagent for the spectrophotometric determination of the metal ions like Al(III), As(III,IV), Ba(II), Cd(II), Ca(II) Ce(III), Cs(i), Cr(III,VI), Co(II), Cu(II), Dy(III), Eu(III), Gd(III), Au(III), Hf(IV), Ho(III), In(III), Fe(III), La(III), Pb(II), Lu (III), Mg(II), Mn(II), Hg(II), Mo(VI), Ni(II), Pd(II), Pt(IV), K(I), Pr(III), Re(VII), Ru(IV), Sm(III), Sc(III), Ag(I), Sr(II) Te(III), Th(IV), Sn(II,IV), Ti(III,IV), W(VI), U(VI), V(IV,V), Yb(III), Zn(II) AND Zr(IV) Ions i.e. for meta ions from d of the most of these metal ions has been found sufficient permit their detection in HPLC. Their molar absorptive have also been reported. Reference has also been provided to post column derivatization of some metal ions from d and f block elements for their detection in HPLC. (author) 12 figs.; 6 tabs.; 27 refs

  20. Ion beam techniques for the analysis of light elements in thin films, including depth profiling. Final report of a co-ordinated research project 2000-2003

    International Nuclear Information System (INIS)

    2004-10-01

    This publication highlights the achievements of a Coordinated Research Project (CRP) to promote the potential of accelerator-based nuclear techniques of analysis for light elements in thin films. The objectives of this CRP were to develop a coordinated research effort between accelerator laboratories and materials science research groups in order to assist and promote the development of quality assurance methods, to evaluate databases of parameters needed for quantitative analysis, and to develop and apply techniques to selected problems concerning the surface modification of materials and production of thin films. Through various case studies, this publication assesses and demonstrates the effectiveness of accelerator-based nuclear techniques for analysis to provide valuable data and knowledge not readily accessible using other methods

  1. Construction of Insulin 18-mer Nanoassemblies Driven by Coordination to Iron(II) and Zinc(II) Ions at Distinct Sites

    DEFF Research Database (Denmark)

    Munch, Henrik K.; Nygaard, Jesper; Christensen, Niels Johan

    2016-01-01

    Controlled self-assembly (SA) of proteins offers the possibility to tune their properties or to create new materials. Herein, we present the synthesis of a modified human insulin (HI) with two distinct metal-ion binding sites, one native, the other abiotic, enabling hierarchical SA through...

  2. Indolenine meso-substituted dibenzotetraaza[14]annulene and its coordination chemistry toward the transition metal ions Mn(III), Fe(III), Co(II), Ni(II), Cu(II), and Pd(II).

    Science.gov (United States)

    Khaledi, Hamid; Olmstead, Marilyn M; Ali, Hapipah Mohd; Thomas, Noel F

    2013-02-18

    A new dibenzotetraaza[14]annulene bearing two 3,3-dimethylindolenine fragments at the meso positions (LH(2)), has been synthesized through a nontemplate method. X-ray crystallography shows that the whole molecule is planar. The basicity of the indolenine ring permits the macrocycle to be protonated external to the core and form LH(4)(2+)·2Cl(-). Yet another structural modification having strong C-H···π interactions was found in the chloroform solvate of LH(2). The latter two modifications are accompanied by a degree of nonplanar distortion. The antiaromatic core of the macrocycle can accommodate a number of metal ions, Mn(III), Fe(III), Co(II), Ni(II) and Cu(II), to form complexes of [Mn(L)Br], [Mn(L)Cl], [Fe(LH(2))Cl(2)](+)·Cl(-), [Co(L)], [Ni(L)], and [Cu(L)]. In addition, the reaction of LH(2) with the larger Pd(II) ion leads to the formation of [Pd(2)(LH(2))(2)(OAc)(4)] wherein the macrocycle acts as a semiflexible ditopic ligand to coordinate pairs of metal ions via its indolenine N atoms into dinuclear metallocycles. The compounds LH(2), [Co(L)], and [Ni(L)] are isostructural and feature close π-stacking as well as linear chain arrangements in the case of the metal complexes. Variable temperature magnetic susceptibility measurements showed thermally induced paramagnetism in [Ni(L)].

  3. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    -, č. 274 (2005), s. 1-26 ISSN 1211-3298 Institutional research plan: CEZ:AV0Z70850503 Keywords : coordination * crises * cycles and fluctuations Subject RIV: AH - Economics http://www.cerge-ei.cz/pdf/wp/Wp274.pdf

  4. Coordination cycles

    Czech Academy of Sciences Publication Activity Database

    Steiner, Jakub

    2008-01-01

    Roč. 63, č. 1 (2008), s. 308-327 ISSN 0899-8256 Institutional research plan: CEZ:AV0Z70850503 Keywords : global games * coordination * crises * cycles and fluctuations Subject RIV: AH - Economics Impact factor: 1.333, year: 2008

  5. Electron delocalization in cyanide-bridged coordination polymer electrodes for Li-ion batteries studied by soft x-ray absorption spectroscopy

    NARCIS (Netherlands)

    Asakura, Daisuke; Okubo, Masashi; Mizuno, Yoshifumi; Kudo, Tetsuichi; Zhou, Haoshen; Amemiya, Kenta; de Groot, Frank M. F.; Chen, Jeng-Lung; Wang, Wei-Cheng; Glans, Per-Anders; Chang, Chinglin; Guo, Jinghua; Honma, Itaru

    2011-01-01

    The electronic structure change during the reversible Li-ion storage reaction in a bimetallic MnFe-Prussian blue analogue (Li(x)K(0.14)Mn(1.43)[Fe(CN)(6)] center dot 6H(2)O) was investigated by soft x-ray absorption spectroscopy. The Mn L(2,3)-edgespectra revealed the unchanged Mn(2+) high-spin

  6. A methyl-coordinated Rh III ion in methylpentaamminerhodium(III)–chloropentaamminerhodium(III)–dithionate (0.73/2.27/3)

    DEFF Research Database (Denmark)

    Harris, Pernille; Kofod, Pauli

    2002-01-01

    Some disorder is seen in the crystal structure of [Rh(CH3)(NH3)5]0.73[RhCl(NH3)5]2.27(S2O6)3. It is, however, clear that the methyl group has a pronounced trans influence on the Rh-N distance, with an elongation of 0.11 Å. No trans influence is observed for the Rh-N distance due to the Cl- ion. B...

  7. Extraction of lanthanides ions (III) from aqueous solution by sodium salt of the N(4-amino-benzoate)-propyl-silica gel

    International Nuclear Information System (INIS)

    Retamero, R.C.

    1991-01-01

    The silica gel 60 of specific superficial area 486 m 2 .g -1 was modified chemically with the ligand 4-amino benzoate of sodium in water-ethanol environment (l:L). The adsorptions of metallic ions were from water solutions at approximately 2 x 10 -3 M of chloride of Pr(III), Nd(III), Eu(III) and Ho(III). In these experiments we could see that the system gets the equilibrium of adsorption rapidly and that the pH of the environment has a great influence on the process of adsorption, being that the number of metal mols adsorpted in the matrix varied between 10,00 and 17,00 x 10 -5 mols. g -1 with a pH of approximately 5 for all the lanthanides, where the adsorption curves reach equilibrium. (author)

  8. Coordination polymers of Fe(iii) and Al(iii) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction.

    Science.gov (United States)

    Dhara, Barun; Sappati, Subrahmanyam; Singh, Santosh K; Kurungot, Sreekumar; Ghosh, Prasenjit; Ballav, Nirmalya

    2016-04-28

    Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(iii) and Al(iii) based coordination polymers in the form of metal-organic gels with the 4,4',4''-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.

  9. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    Overview From a technical perspective, CMS has been in “beam operation” state since 6th November. The detector is fully closed with all components operational and the magnetic field is normally at the nominal 3.8T. The UXC cavern is normally closed with the radiation veto set. Access to UXC is now only possible during downtimes of LHC. Such accesses must be carefully planned, documented and carried out in agreement with CMS Technical Coordination, Experimental Area Management, LHC programme coordination and the CCC. Material flow in and out of UXC is now strictly controlled. Access to USC remains possible at any time, although, for safety reasons, it is necessary to register with the shift crew in the control room before going down.It is obligatory for all material leaving UXC to pass through the underground buffer zone for RP scanning, database entry and appropriate labeling for traceability. Technical coordination (notably Stephane Bally and Christoph Schaefer), the shift crew and run ...

  10. Coordination of bis(pyrazol-1-ylamine to palladium(II: influence of the co-ligands and counter-ions on the molecular and crystal structures

    Directory of Open Access Journals (Sweden)

    María de los Angeles Mendoza

    2015-01-01

    Full Text Available The structures of a series of complexes with general formula n[Pd(pzaX]Y·mH2O (n = 1, 2; X = Cl, Br, I, N3, NCS; Y = NO3, I, N3, [Pd(SCN4]; m = 0, 0.5, 1 have been determined, where pza is the tridentate ligand bis[2-(3,5-dimethylpyrazol-1-ylethyl]amine, C14H23N5. In all complexes, {bis[2-(3,5-dimethylpyrazol-1-yl-κN2ethyl]amine-κN}chloridopalladium nitrate, [Pd(pzaCl]NO3, (1, {bis[2-(3,5-dimethylpyrazol-1-yl-κN2ethyl]amine-κN}bromidopalladium nitrate, [Pd(pzaBr]NO3, (2, {bis[2-(3,5-dimethylpyrazol-1-yl-κN2ethyl]amine-κN}iodidopalladium iodide hemihydrate, [Pd(pzaI]I·0.5H2O, (3, azido{bis[2-(3,5-dimethylpyrazol-1-yl-κN2ethyl]amine-κN}palladium azide monohydrate, [Pd(pzaN3]N3·H2O, (4, and bis[{bis[2-(3,5-dimethylpyrazol-1-yl-κN2ethyl]amine-κN}(thiocyanato-κNpalladium] tetrakis(thiocyanato-κSpalladate, [Pd(pzaNCS]2[Pd(SCN4], (5, the [Pd(pzaX]+ complex cation displays a square-planar coordination geometry, and the pza ligand is twisted, approximating twofold rotation symmetry. Although the pza ligand is found with the same conformation along the series, the dihedral angle between pyrazole rings depends on the co-ligand X. This angle span the range 79.0 (3–88.6 (1° for the studied complexes. In (3, two complex cations, two I− anions and one water molecule of crystallization are present in the asymmetric unit. In (5, the central amine group of pza is disordered over two positions [occupancy ratio 0.770 (18:0.230 (18]. The complex [Pd(SCN4]2− anion of this compound exhibits inversion symmetry and shows the Pd2+ transition metal cation likewise in a square-planar coordination environment. Compound (5 is also a rare occurrence of a non-polymeric compound in which the pseudohalide ligand NCS− behaves both as thiocyanate and isothiocyanate, i.e. is coordinating either through the N atom (in the cation or the S atom (in the anion.

  11. Zinc ion coordination as a modulating factor of the ZnuA histidine-rich loop flexibility: A molecular modeling and fluorescence spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Castelli, Silvia [Department of Biology, University of Rome Tor Vergata, Via della Ricerca Scientifica, 00133 Rome (Italy); Stella, Lorenzo [Department of Chemical Sciences and Technologies, University of Roma Tor Vergata, Via della Ricerca Scientifica, 00133 Rome (Italy); Neuromed, IRCCS, Pozzilli 86077 (Italy); Petrarca, Patrizia [Department of Biology, University of Rome Tor Vergata, Via della Ricerca Scientifica, 00133 Rome (Italy); Battistoni, Andrea [Department of Biology, University of Rome Tor Vergata, Via della Ricerca Scientifica, 00133 Rome (Italy); Interuniversity Consortium, National Institute Biostructure and Biosystem (INBB), Viale delle Medaglie D' Oro 305, 00136 Rome (Italy); Desideri, Alessandro [Department of Biology, University of Rome Tor Vergata and CIBB, Center of Biostatistics and Bioinformatics, Via della Ricerca Scientifica, 00133 Rome (Italy); Interuniversity Consortium, National Institute Biostructure and Biosystem (INBB), Viale delle Medaglie D' Oro 305, 00136 Rome (Italy); Falconi, Mattia, E-mail: falconi@uniroma2.it [Department of Biology, University of Rome Tor Vergata and CIBB, Center of Biostatistics and Bioinformatics, Via della Ricerca Scientifica, 00133 Rome (Italy); Interuniversity Consortium, National Institute Biostructure and Biosystem (INBB), Viale delle Medaglie D' Oro 305, 00136 Rome (Italy)

    2013-01-11

    Highlights: Black-Right-Pointing-Pointer Fluorescence data indicate that the His-loop of ZnuA interacts with Zn{sup +2} ions. Black-Right-Pointing-Pointer The ZnuA structural model proposed validates these spectroscopic findings. Black-Right-Pointing-Pointer It is proposed that a zinc loaded His-loop may facilitate the ZnuA-ZnuB recognition. -- Abstract: ZnuA is the soluble component of the high-affinity ZnuABC zinc transporter belonging to the ATP-binding cassette-type periplasmic Zn-binding proteins. The zinc transporter ZnuABC is composed by three proteins: ZnuB, the membrane permease, ZnuC, the ATPase component and ZnuA, the soluble periplasmic metal-binding protein which captures Zn and delivers it to ZnuB. The ZnuA protein contains a charged flexible loop, rich in histidines and acidic residues, showing significant species-specific differences. Various studies have established that this loop contributes to the formation of a secondary zinc binding site, which has been proposed to be important in the acquisition of periplasmic Zn for its delivery to ZnuB or for regulation of zinc uptake. Due to its high mobility the structure of the histidine-rich loop has never been solved by X-ray diffraction studies. In this paper, through a combined use of molecular modeling, mutagenesis and fluorescence spectroscopy, we confirm the presence of two zinc binding sites characterized by different affinities for the metal ion and show that the flexibility of the loop is modulated by the binding of the zinc ions to the protein. The data obtained by fluorescence spectroscopy have then be used to validate a 3D model including the unsolved histidine-rich loop.

  12. Chemically crosslinked nanogels of PEGylated poly ethyleneimine (L-histidine substituted) synthesized via metal ion coordinated self-assembly for delivery of methotrexate: Cytocompatibility, cellular delivery and antitumor activity in resistant cells

    Energy Technology Data Exchange (ETDEWEB)

    Abolmaali, Samira Sadat, E-mail: s.abolmaali@gmail.com [Pharmaceutical Nanotechnology Department, Shiraz University of Medical Sciences, Shiraz 71345 (Iran, Islamic Republic of); Tamaddon, Ali Mohammad, E-mail: amtamadon@gmail.com [Center for Nanotechnology in Drug Delivery, Shiraz University of Medical Sciences, Shiraz 71345 (Iran, Islamic Republic of); Mohammadi, Samaneh, E-mail: samaneh.mohammadi1986@gmail.com [Center for Nanotechnology in Drug Delivery, Shiraz University of Medical Sciences, Shiraz 71345 (Iran, Islamic Republic of); Amoozgar, Zohreh, E-mail: zohreh_amoozgar@dfci.harvard.edu [Department of Cancer Immunology and Aids, Dana-Farber Cancer Institute and Harvard Medical School, Boston, MA 02115 (United States); Dinarvand, Rasoul, E-mail: dinarvand@tums.ac.ir [Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran 14174 (Iran, Islamic Republic of)

    2016-05-01

    Self-assembled nanogels were engineered by forming Zn{sup 2+}-coordinated micellar templates of PEGylated poly ethyleneimine (PEG-g-PEI), chemical crosslinking and subsequent removal of the metal ion. Creation of stable micellar templates is a crucial step for preparing the nanogels. To this aim, imidazole moieties were introduced to the polymer by Fmoc-L-histidine using carbodiimide chemistry. It was hypothesized the nanogels loaded with methotrexate (MTX), a chemotherapeutic agent, circumvent impaired carrier activity in HepG2 cells (MTX-resistant hepatocellular carcinoma). So, the nanogels were post-loaded with MTX and characterized by {sup 1}H-NMR, FTIR, dynamic light scattering-zeta potential, atomic force microscopy, and drug release experiments. Cellular uptake and the antitumor activity of MTX-loaded nanogels were investigated by flow cytometry and MTT assay. Discrete, spherical and uniform nanogels, with sizes about 77–83 nm and a relatively high drug loading (54 ± 4% w/w), showed a low polydispersity and neutral surface charges. The MTX-loaded nanogels, unlike empty nanogels, lowered viability of HepG2 cells; the nanogels demonstrated cell-cycle arrest and apoptosis comparably higher than MTX as free drug that was shown to be through i) cellular uptake of the nanogels by clathrin-mediated transport and ii) endosomolytic activity of the nanogels in HepG2 cells. These findings indicate the potential antitumor application of this preparation, which has to be investigated in-vivo. - Highlights: • Nanogel synthesis through chemical crosslinking of the transition metal ion coordinated polymer self-assembly • An enhanced cytocompatibility if compared to unmodified polymer • A noticeable endocytic cellular internalization and endosomolytic activity • A specific antitumor cytotoxicity, cell cycle arrest and apoptosis in resistant tumor cells.

  13. Study on coordination characteristics of neptunium and uranium ions in calcium nitrate hydrate melt by Raman spectrometry and UV/Vis/NIR spectrometry

    International Nuclear Information System (INIS)

    Fujii, T; Okude, G; Uehara, A; Yamana, H

    2010-01-01

    Extraction behavior of neptunium (Np) by tri-n-butyl phosphate from calcium nitrate hydrate melt was investigated. Distribution ratio of Np was found to increase with the decrease of water content. Adding nitric acid into the system resulted in an increase of the distribution ratio. In order to understand the extraction trends, Np species in the hydrate melt were analyzed by Raman spectrometry and UV/Vis/NIR spectrometry. Major fraction was assigned to be NpO 2 2+ of Np(VI) and small fraction to be NpO 2 + of Np(V). A shift of the v 1 symmetric vibrational frequency of NpO 2 2+ in nitrate media was found in Raman spectra. This suggests a coordination circumstance change of NpO 2 2+ .

  14. Field-Induced Single-Ion Magnet Behaviour in Two New Cobalt(II Coordination Polymers with 2,4,6-Tris(4-pyridyl-1,3,5-triazine

    Directory of Open Access Journals (Sweden)

    Dong Shao

    2017-12-01

    Full Text Available We herein reported the syntheses, crystal structures, and magnetic properties of a two-dimensional coordination polymer {[CoII(TPT2/3(H2O4][CH3COO]2·(H2O4}n (1 and a chain compound {[CoII(TPT2(CHOO2(H2O2]}n (2 based on the 2,4,6-Tris(4-pyridyl-1,3,5-triazine (TPT ligand. Structure analyses showed that complex 1 had a cationic hexagonal framework structure, while 2 was a neutral zig-zag chain structure with different distorted octahedral coordination environments. Magnetic measurements revealed that both complexes exhibit large easy-plane magnetic anisotropy with the zero-field splitting parameter D = 47.7 and 62.1 cm−1 for 1 and 2, respectively. This magnetic anisotropy leads to the field-induced slow magnetic relaxation behaviour. However, their magnetic dynamics are quite different; while complex 1 experienced a dominating thermally activated Orbach relaxation at the whole measured temperature region, 2 exhibited multiple relaxation pathways involving direct, Raman, and quantum tunneling (QTM processes at low temperatures and Orbach relaxation at high temperatures. The present complexes enlarge the family of framework-based single-ion magnets (SIMs and highlight the significance of the structural dimensionality to the final magnetic properties.

  15. Coordinating controls

    Energy Technology Data Exchange (ETDEWEB)

    Anon.

    1986-07-15

    While physics Laboratories are having to absorb cuts in resources, the machines they rely on are becoming more and more complex, requiring increasingly sophisticated systems. Rather than being a resourceful engineer or physicist able to timber together solutions in his 'backyard', the modern controls specialist has become a professional in his own right. Because of possible conflicts between increasing sophistication on one hand and scarcer resources on the other, there was felt a need for more contacts among controls specialists to exchange experiences, coordinate development and discuss 'family problems', away from meetings where the main interest is on experimental physics.

  16. Coordinated unbundling

    DEFF Research Database (Denmark)

    Timmermans, Bram; Zabala-Iturriagagoitia, Jon Mikel

    2013-01-01

    Public procurement for innovation is a matter of using public demand to trigger innovation. Empirical studies have demonstrated that demand-based policy instruments can be considered to be a powerful tool in stimulating innovative processes among existing firms; however, the existing literature has...... not focused on the role this policy instrument can play in the promotion of (knowledge-intensive) entrepreneurship. This paper investigates this link in more detail and introduces the concept of coordinated unbundling as a strategy that can facilitate this purpose. We also present a framework on how...

  17. Coordinating controls

    International Nuclear Information System (INIS)

    Anon.

    1986-01-01

    While physics Laboratories are having to absorb cuts in resources, the machines they rely on are becoming more and more complex, requiring increasingly sophisticated systems. Rather than being a resourceful engineer or physicist able to timber together solutions in his 'backyard', the modern controls specialist has become a professional in his own right. Because of possible conflicts between increasing sophistication on one hand and scarcer resources on the other, there was felt a need for more contacts among controls specialists to exchange experiences, coordinate development and discuss 'family problems', away from meetings where the main interest is on experimental physics

  18. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball

    2010-01-01

    Operational Experience At the end of the first full-year running period of LHC, CMS is established as a reliable, robust and mature experiment. In particular common systems and infrastructure faults accounted for <0.6 % CMS downtime during LHC pp physics. Technical operation throughout the entire year was rather smooth, the main faults requiring UXC access being sub-detector power systems and rack-cooling turbines. All such problems were corrected during scheduled technical stops, in the shadow of tunnel access needed by the LHC, or in negotiated accesses or access extensions. Nevertheless, the number of necessary accesses to the UXC averaged more than one per week and the technical stops were inevitably packed with work packages, typically 30 being executed within a few days, placing a high load on the coordination and area management teams. It is an appropriate moment for CMS Technical Coordination to thank all those in many CERN departments and in the Collaboration, who were involved in CMS techni...

  19. Coordination polymers with the chiral ligand N-p-tolylsulfonyl-L-glutamic acid: Influence of metal ions and different bipyridine ligands on structural chirality

    International Nuclear Information System (INIS)

    He Rong; Song Huihua; Wei Zhen; Zhang Jianjun; Gao Yuanzhe

    2010-01-01

    Four new polymers, namely [Ni(-tsgluO)(2,4'-bipy) 2 (H 2 O) 2 ] n .5nH 2 O (1), [Co(-tsgluO)(2,4'-bipy) 2 (H 2 O) 2 ] n .5nH 2 O (2), [Ni(-tsgluO)(4,4'-bipy)] n .0.5nH 2 O (3), and [Co(-tsgluO)(4,4'-bipy)] n .0.5nH 2 O (4), where tsgluO 2- =(+)-N-p-tolylsulfonyl-L-glutamate dianion, 2,4'-bipy=2,4'-bipyridine, and 4,4'-bipy=4,4'-bipyridine, have been prepared and structurally characterized. Compounds 1 and 2 are isostructural and mononuclear, and crystallize in the acentric monoclinic space group Cc, forming 1D chain structures. Compound 3 is also mononuclear, but crystallizes in the chiral space group P2 1 , forming a homochiral 2D architecture. In contrast to the other complexes, compound 4 crystallizes in the space group P-1 and is composed of binuclear [Co 2 O 6 N 2 ] n 4- units, which give rise to a 2D bilayer framework. Moreover, compounds 1, 2, and 4 self-assemble to form 3D supramolecular structures through π-π stacking and hydrogen-bonding interactions, while compound 3 is further hydrogen-bonded to form 3D frameworks. We have demonstrated the influence of the central metal and bipyridine ligands on the framework chirality of the coordination complexes. - Graphical abstract: Four novel polymers based on a chiral ligand were prepared and structurally characterized; it represents the first series of investigations about the effect of central metals and bipyridine ligands on framework chirality.

  20. RUN COORDINATION

    CERN Multimedia

    Christophe Delaere

    2013-01-01

    The focus of Run Coordination during LS1 is to monitor closely the advance of maintenance and upgrade activities, to smooth interactions between subsystems and to ensure that all are ready in time to resume operations in 2015 with a fully calibrated and understood detector. After electricity and cooling were restored to all equipment, at about the time of the last CMS week, recommissioning activities were resumed for all subsystems. On 7 October, DCS shifts began 24/7 to allow subsystems to remain on to facilitate operations. That culminated with the Global Run in November (GriN), which   took place as scheduled during the week of 4 November. The GriN has been the first centrally managed operation since the beginning of LS1, and involved all subdetectors but the Pixel Tracker presently in a lab upstairs. All nights were therefore dedicated to long stable runs with as many subdetectors as possible. Among the many achievements in that week, three items may be highlighted. First, the Strip...

  1. RUN COORDINATION

    CERN Multimedia

    C. Delaere

    2013-01-01

    Since the LHC ceased operations in February, a lot has been going on at Point 5, and Run Coordination continues to monitor closely the advance of maintenance and upgrade activities. In the last months, the Pixel detector was extracted and is now stored in the pixel lab in SX5; the beam pipe has been removed and ME1/1 removal has started. We regained access to the vactank and some work on the RBX of HB has started. Since mid-June, electricity and cooling are back in S1 and S2, allowing us to turn equipment back on, at least during the day. 24/7 shifts are not foreseen in the next weeks, and safety tours are mandatory to keep equipment on overnight, but re-commissioning activities are slowly being resumed. Given the (slight) delays accumulated in LS1, it was decided to merge the two global runs initially foreseen into a single exercise during the week of 4 November 2013. The aim of the global run is to check that we can run (parts of) CMS after several months switched off, with the new VME PCs installed, th...

  2. TECHNICAL COORDINATION

    CERN Document Server

    A. Ball and W. Zeuner

    2013-01-01

    For the reporting period, the CMS common systems and infrastructure worked well, without failures that caused significant data losses. One more disconnection of the magnet cold box occurred in the shadow of interruptions in data taking, caused by a series of technical faults. The recognition during 2012 that re-connection can only safely be done at around 2 T implies a minimum magnet recovery time of 12 hours and raises serious concerns about the number of ramping cycles of the magnet these incidents cause. This has triggered studies of how to make the cryo-system of the magnet more robust against failures. The proton-proton run ended just before the end-of-year CERN closure, during which CASTOR was installed on the negative end of CMS and both ZDC calorimeters were installed in TAN absorbers the LHC tunnel, in preparation for the heavy-ion run. The installation of CASTOR was an excellent “engineering test” of procedures for working in an activated environment. Despite some technical pr...

  3. RUN COORDINATION

    CERN Multimedia

    G. Rakness.

    2013-01-01

    After three years of running, in February 2013 the era of sub-10-TeV LHC collisions drew to an end. Recall, the 2012 run had been extended by about three months to achieve the full complement of high-energy and heavy-ion physics goals prior to the start of Long Shutdown 1 (LS1), which is now underway. The LHC performance during these exciting years was excellent, delivering a total of 23.3 fb–1 of proton-proton collisions at a centre-of-mass energy of 8 TeV, 6.2 fb–1 at 7 TeV, and 5.5 pb–1 at 2.76 TeV. They also delivered 170 μb–1 lead-lead collisions at 2.76 TeV/nucleon and 32 nb–1 proton-lead collisions at 5 TeV/nucleon. During these years the CMS operations teams and shift crews made tremendous strides to commission the detector, repeatedly stepping up to meet the challenges at every increase of instantaneous luminosity and energy. Although it does not fully cover the achievements of the teams, a way to quantify their success is the fact that that...

  4. TECHNICAL COORDINATION

    CERN Multimedia

    A. Ball and W. Zeuner

    2011-01-01

      Operational experience 2011 CMS is approaching the end of a very successful year of operation. Proton- proton running ended in the late afternoon of 30th October with a stunning 5.73 fb–1 delivered by LHC, of which CMS recorded 5.22 fb–1. During heavy-ion operation, which continues until 7th December, both the accelerator and the CMS detector have also performed very well. Despite the encouraging overall reliability of technical operation, several infrastructure failures which occurred since the last Bulletin are worthy of mention, with one leading for the first time to significant data-loss. On 10th July, a CERN-wide power failure brought down essentially all services including the magnet, due to an MCS setting being left in “manual” after the recent technical stop, but there was no significant damage and the detector was operational before the LHC, despite a slow and tortuous recovery (one of several indications this year that there is room for improve...

  5. Self-assembled coordination nanoparticles from nucleotides and lanthanide ions with doped-boronic acid-fluorescein for detection of cyanide in the presence of Cu2+ in water.

    Science.gov (United States)

    Kulchat, Sirinan; Chaicham, Anusak; Ekgasit, Sanong; Tumcharern, Gamolwan; Tuntulani, Thawatchai; Tomapatanaget, Boosayarat

    2012-01-30

    The sensor molecule, F-oBOH, containing boronic acid-linked hydrazide and fluorescein moieties was synthesized. For anion sensing applications, F-oBOH was studied in aqueous media. Unfortunately, F-oBOH was found to be hydrolyzed in water. Therefore, a new strategy was developed to prevent the hydrolysis of F-oBOH by applying self-assembly coordination nanoparticles network (F-oBOH-AMP/Gd(3+) CNPs). Interestingly, the nanoparticles network displayed the enhancement of fluorescent signal after adding Cu(2+) following by CN(-). The network, therefore, possessed a high selectivity for detection of CN(-) compared to other competitive anions in the presence of Cu(2+). Cyanide ion could promote the Cu(2+) binding to F-oBOH incorporated in AMP/Gd(3+) CNPs to give the opened-ring form of spirolactam resulting in the fourfold of fluorescence enhancement compared to Cu(2+) complexation without CN(-). Additionally, the log K value of F-oBOH-AMP/Gd(3+) CNPs⊂Cu(2+) toward CN(-) was 3.97 and the detection limits obtained from naked-eye and spectrofluorometry detections were 20μM and 4.03μM, respectively. The proposed method was demonstrated to detect CN(-) in drinking water with high accuracy. Copyright © 2011 Elsevier B.V. All rights reserved.

  6. Studies on coordination chemistry and bioactivity of metal complexes of some nitrogen-sulfur donor ligands: Section A: hydraziniumdithiocarbazate and its complexes. Section B: complexes of Ni2+ and Cu2+ ions with s-picolyldithiocarbazate

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Liza bt Abdullah; Crouse, Karen A.; Ali, A.M.

    2003-08-01

    Two new nitrogen - sulphur donor ligands, hydraziniumdithiocarbazate(HzDTC) and S-picolyldithiocarbazate(SPDTC), along with three novel Schiff bases were prepared. Complexes of some of HzDTC with nickel(II), zinc(II), and those of SPDTC with nickel(II) and copper(II) were prepared and characterized by a variety of physico- chemical techniques. The ligand, HzDTC, was a potential bidentate and uninegatively charged providing terminal amino and thiolate bindings with the metal ions, while SPDTC coordinates via the pyridine nitrogen and the thiolate anion. All of the compounds were tested against four pathogenic bacteria and fungi. HzDTC was found to be very effective antimicrobial than its complexes. The complexes of SPDTC and the Schiff bases of HzDTC were more antifungal. None of the compounds were effective anti- cancer agents except for [Ni(HzDTCA)Cl.H 2 O], which was moderately active against CEM- SS (Human cell T- lymphoblastic) leukemic cells. (author)

  7. Photoactive devices including porphyrinoids with coordinating additives

    Science.gov (United States)

    Forrest, Stephen R; Zimmerman, Jeramy; Yu, Eric K; Thompson, Mark E; Trinh, Cong; Whited, Matthew; Diev, Vlacheslav

    2015-05-12

    Coordinating additives are included in porphyrinoid-based materials to promote intermolecular organization and improve one or more photoelectric characteristics of the materials. The coordinating additives are selected from fullerene compounds and organic compounds having free electron pairs. Combinations of different coordinating additives can be used to tailor the characteristic properties of such porphyrinoid-based materials, including porphyrin oligomers. Bidentate ligands are one type of coordinating additive that can form coordination bonds with a central metal ion of two different porphyrinoid compounds to promote porphyrinoid alignment and/or pi-stacking. The coordinating additives can shift the absorption spectrum of a photoactive material toward higher wavelengths, increase the external quantum efficiency of the material, or both.

  8. Coordinated research projects (CRP). Coordinated research project (CRP)

    International Nuclear Information System (INIS)

    Takagi, Hidekazu; Koike, Fumihiro; Nakamura, Nobuyuki

    2013-01-01

    In the present paper, the contribution of Japanese scientists in coordinated research projects on thermonuclear fusion. Representative subjects taken in seven projects are the precise computation of theoretical data on electron-molecule collisions in the peripheral plasma, the computation of spectroscopic data of multi-charged tungsten ions, the spectroscopic measurement of multi-charged tungsten ions using an ion trap device, the development of collisional-radiative model for plasmas including hydrogen and helium, the computational and theoretical studies on the behavior of tungsten and beryllium in the plasma-wall interaction, the study on the property of dusts generated in fusion devices. These subjects are those of most important issues in ITER. (author)

  9. coordination polymers derived from two different bis-pyridyl-bis-am

    Indian Academy of Sciences (India)

    Abstract. Three new Ni(II) coordination polymers exhibiting different 1D and 2D framework structures ... separation, magnetism, ion exchange and so on.5 8 ... of the coordination geometries of metal ions, which ... Cu(II)/Co(II)/Cd(II) coordination polymers containing ..... tion, the concentration of MB and RhB (C) versus reac-.

  10. Evaluation of Stability of Complexes of Inner Transition Metal Ions with 2-Oxo-1-pyrrolidine Acetamide and Role of Systematic Errors

    Directory of Open Access Journals (Sweden)

    Sangita Sharma

    2011-01-01

    Full Text Available BEST FIT models were used to study the complexation of inner transition metal ions like Y(III, La(III, Ce(III, Pr(III, Nd(III, Sm(III, Gd(III, Dy(III and Th(IV with 2-oxo-1-pyrrolidine acetamide at 30 °C in 10%, 20, 30, 40, 50% and 60% v/v dioxane-water mixture at 0.2 M ionic strength. Irving Rossotti titration method was used to get titration data. Calculations were carried out with PKAS and BEST Fortran IV computer programs. The expected species like L, LH+, ML, ML2 and ML(OH3, were obtained with SPEPLOT. Stability of complexes has increased with increasing the dioxane content. The observed change in stability can be explained on the basis of electrostatic effects, non electrostatic effects, solvating power of solvent mixture, interaction between ions and interaction of ions with solvents. Effect of systematic errors like effect of dissolved carbon dioxide, concentration of alkali, concentration of acid, concentration of ligand and concentration of metal have also been explained here.

  11. Non-traditional Oxidants in Preparative Coordination Chemistry

    Science.gov (United States)

    Kukushkin, Vadim Yu; Kukushkin, Yurii N.

    1986-10-01

    The application of nitrosonium and arenediazonium salts, carbenium, silver(I), and mercury(II) ions, protic acids, and amine oxides as oxidants in preparative coordination chemistry is examined. Specific examples illustrate which problems in the field of the synthesis and reactions of coordination compounds can be solved with the aid of these oxidants. The bibliography includes 158 references.

  12. synthesis and optical properties of self-assembled coordination ...

    African Journals Online (AJOL)

    The coordination chemistry of the phenylmalonic acid and 4-1H- amino- 1,2,4- triazole with Zn(II) ions has been investigated. The coordination polymer was synthesized by slow evaporation method and characterized by FT-infrared spectroscopy, ultraviolet-visible measurements, scanning electron microscopy, Electron ...

  13. Explicitly computing geodetic coordinates from Cartesian coordinates

    Science.gov (United States)

    Zeng, Huaien

    2013-04-01

    This paper presents a new form of quartic equation based on Lagrange's extremum law and a Groebner basis under the constraint that the geodetic height is the shortest distance between a given point and the reference ellipsoid. A very explicit and concise formulae of the quartic equation by Ferrari's line is found, which avoids the need of a good starting guess for iterative methods. A new explicit algorithm is then proposed to compute geodetic coordinates from Cartesian coordinates. The convergence region of the algorithm is investigated and the corresponding correct solution is given. Lastly, the algorithm is validated with numerical experiments.

  14. The curvature coordinate system

    DEFF Research Database (Denmark)

    Almegaard, Henrik

    2007-01-01

    The paper describes a concept for a curvature coordinate system on regular curved surfaces from which faceted surfaces with plane quadrangular facets can be designed. The lines of curvature are used as parametric lines for the curvature coordinate system on the surface. A new conjugate set of lin...

  15. Coordinate measuring machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo

    This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceabilit...... and uncertainty during coordinate measurements, 3) Digitalisation and Reverse Engineering. This document contains a short description of each step in the exercise and schemes with room for taking notes of the results.......This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

  16. Application of 8-amino-N-(2-hydroxybenzylidene)naphthyl amine as a neutral ionophore in the construction of a lanthanum ion-selective sensor

    Energy Technology Data Exchange (ETDEWEB)

    Ganjali, M.R. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)]. E-mail: ganjali@khayam.ut.ac.ir; Norouzi, P. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Alizadeh, T. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of); Adib, M. [Center of Excellence in Electrochemistry, Faculty of Chemistry, University of Tehran, Tehran (Iran, Islamic Republic of)

    2006-08-25

    In this work, a novel La(III) membrane sensor based on 8-amino-N-(2-hydroxybenzylidene)naphthylamine (AIP) is presented. This electrode reveals good selectivity for La{sup 3+} over a wide variety of lanthanides metal ions. Theoretical calculations and conductance study of AIP to lanthanum and some other metal ions were carried out and confirmed selectivity toward La(III) ions. The electrode comprises 7% AIP, 30% PVC, 61% NPOE and 2% KTpClPB. The sensor displays a linear dynamic range between 1.0 x 10{sup -7} and 1.0 x 10{sup -1} M, with a nice Nernstian slope of 20.3 {+-} 0.3 mV per decade and a detection limit of 8.0 x 10{sup -8} M. The potentiometric response is independent of pH in the range of 4.0-9.0. The proposed sensor posses the advantage of short response time, and especially, very good selectivity towards a large number of cations, such as Sm(III), Ce(III, Pr(III), Yb(III) and Hg(II), low detection limit and wide linear dynamic range in comparison with former ones. The electrode can be used for at least seven weeks without any considerable divergence in the potentials. It was used as an indicator electrode in the potentiometric titration of La(III) ions with EDTA. The sensor was applied to the determination of La(III) ions concentration in binary mixtures. It was also applied for the determination of fluoride ions in mouth wash preparations.

  17. Hypersensitive transition spectrum of f-element and coordination structure

    International Nuclear Information System (INIS)

    Cao Xuan; Song Chongli; Zhu Youngjun

    1992-10-01

    Some f-f transitions of Ln(An) metallic ions have particular super-sensitivity to the change of coordination environments. This is called super-sensitive transitions. Based on the irreducible tensor operator method, a computation model and corresponding computer program for calculating the hypersensitive transition spectrum of f-element were developed. By comparing the theoretical spectra of all possible coordination structures with experimental one, the possible coordination structures of complex can be determined. The coordination structures of Nd 3+ , Er 3 + hydrate and their extraction complex with H(DEHP) were successfully determined by this method, and the experimental spectra were also assigned

  18. Thermodynamic stability of binary systems involving metal ions and the 4-methoxy benzylidenepyruvate in aqueous solution

    International Nuclear Information System (INIS)

    Redigolo, H.

    1989-01-01

    A review on studies previously carried out in this laboratory involving metal ions and benzylidene-pyruvate, in aqueous solutions, is presented; emphasis is mainly placed on complexes comprising 4-Dimethyl-amino-benzylidene-pyruvate (DMBP, p K a 3.79) and 2-Chloro-4-Dimethyl-amino-benzylidene-pyruvate (2 Cl-DMBP, p k a = 3.08). In an endeavour to extend the previous work, the dissociation constant of 4-methoxy-benzylidene-pyruvic acid (H-4-Me O-BP) was determined spectrophotometrically at 25.0 +- 0.1 0 C and ionic strength 0.500 M, held with sodium perchlorate (p k a = 1.473). The complex formation equilibria in M-4-Me O-BP systems, where M = Cu(II), La(III), Pr(III), Sm(III), Lu(III), Sc (III), In(III), Ga(III) or Th(IV) were investigated, also spectrophotometrically, in the above mentioned experimental conditions. In addition, the system involving Sm(III) was reinvestigated at ionic strengths 0.100 and 2.00 M, the remaining experimental conditions being maintained. The study is mostly concerned with the determination of formation constants of 1:1 complex species (β 1 ) and spectrophotometric parameters associated with these species. The investigation of possible higher binary complexes (ML n , n > 1) was prevented by solubility limitations. For all considered metal ions, log β 1 (DMBP) > log β 1 (4-Me O-BP) indicating that the stability is governed, at least in part, by ligand basicity. (author). 121 refs, 36 figs, 20 tabs

  19. Regional transit coordination guidebook.

    Science.gov (United States)

    2009-01-01

    Constant growth in rural areas and extensive suburban development have contributed to increasingly more people needing seamless and adequate public transportation into and from nearby cities. Coordinating existing services or determining the need for...

  20. Supercritical Airfoil Coordinates

    Data.gov (United States)

    National Aeronautics and Space Administration — Rectangular Supercritical Wing (Ricketts) - design and measured locations are provided in an Excel file RSW_airfoil_coordinates_ricketts.xls . One sheet is with Non...

  1. Developmental coordination disorder

    Science.gov (United States)

    Developmental coordination disorder can lead to: Learning problems Low self-esteem resulting from poor ability at sports and teasing by other children Repeated injuries Weight gain as a result of not wanting to participate ...

  2. Environmental Compliance Issue Coordination

    Science.gov (United States)

    An order to establish the Department of Energy (DOE) requirements for coordination of significant environmental compliance issues to ensure timely development and consistent application of Departmental environmental policy and guidance

  3. Data Management Coordinators (DMC)

    Science.gov (United States)

    The Regional Data Management Coordinators (DMCs) were identified to serve as the primary contact for each region for all Water Quality Framework activities. They will facilitate and communicate information to the necessary individuals at the region and tra

  4. Coordinating Work with Groupware

    DEFF Research Database (Denmark)

    Pors, Jens Kaaber; Simonsen, Jesper

    2003-01-01

    One important goal of employing groupware is to make possible complex collaboration between geographically distributed groups. This requires a dual transformation of both technology and work practice. The challenge is to re­duce the complexity of the coordination work by successfully inte....... Using the CSCW frame­work of coordination mechanisms, we have elicited six general factors influencing the integration of the groupware application in two situations....

  5. Coordinate-invariant regularization

    International Nuclear Information System (INIS)

    Halpern, M.B.

    1987-01-01

    A general phase-space framework for coordinate-invariant regularization is given. The development is geometric, with all regularization contained in regularized DeWitt Superstructures on field deformations. Parallel development of invariant coordinate-space regularization is obtained by regularized functional integration of the momenta. As representative examples of the general formulation, the regularized general non-linear sigma model and regularized quantum gravity are discussed. copyright 1987 Academic Press, Inc

  6. Stable coordination of the inhibitory Ca2+ ion at MIDAS in integrin CD11b/CD18 by an antibody-derived ligand aspartate: Implications for integrin regulation and structure-based drug design

    Science.gov (United States)

    Mahalingam, Bhuvaneshwari; Ajroud, Kaouther; Alonso, Jose Luis; Anand, Saurabh; Adair, Brian; Horenstein, Alberto L; Malavasi, Fabio; Xiong, Jian-Ping; Arnaout, M. Amin

    2011-01-01

    A central feature of integrin interaction with physiologic ligands is the monodentate binding of a ligand carboxylate to a Mg2+ ion hexacoordinated at the metal-ion-dependent-adhesion site (MIDAS) in the integrin A-domain. This interaction stabilizes the A-domain in the high-affinity state, which is distinguished from the default low-affinity state by tertiary changes in the domain that culminate in cell adhesion. Small molecule ligand-mimetic integrin antagonists act as partial agonists, eliciting similar activating conformational changes in the A-domain, which has contributed to paradoxical adhesion and increased patient mortality in large clinical trials. As with other ligand-mimetic integrin antagonists, the function-blocking monoclonal antibody (mAb) 107 binds MIDAS of integrin CD11b/CD18 A-domain (CD11bA), but in contrast, it favors the inhibitory Ca2+ ion over Mg2+ at MIDAS. We determined the crystal structures of the Fab fragment of mAb 107 complexed to the low- and high-affinity states of CD11bA. Favored binding of Ca2+ at MIDAS is caused by the unusual symmetric bidentate ligation of a Fab-derived ligand Asp to a heptacoordinated MIDAS Ca2+. Binding of Fab 107 to CD11bA did not trigger the activating tertiary changes in the domain or in the full-length integrin. These data show that denticity of the ligand Asp/Glu can modify divalent cation selectivity at MIDAS and hence integrin function. Stabilizing the Ca2+ ion at MIDAS by bidentate ligation to a ligand Asp/Glu may provide one approach for designing pure integrin antagonists. PMID:22095715

  7. Influence of ligand coordination of cobalt ions on structural properties of ZnO-ZnF{sub 2}-B{sub 2}O{sub 3} glass system by means of spectroscopic studies

    Energy Technology Data Exchange (ETDEWEB)

    Naresh, P.; Naga Raju, G. [Department of Physics, Acharya Nagarjuna University-Nuzvid Campus, Nuzvid 521201, A.P. (India); Srinivasa Rao, Ch. [Department of Physics, Andhra Loyola College, Vijayawada 520008, A.P. (India); Prasad, S.V.G.V.A. [Department of Physics, Andhra Jateeya Kalasala, Machilipatnam 520001, A.P. (India); Ravi Kumar, V. [Department of Physics, Acharya Nagarjuna University-Nuzvid Campus, Nuzvid 521201, A.P. (India); Veeraiah, N., E-mail: nvr8@rediffmail.com [Department of Physics, Acharya Nagarjuna University-Nuzvid Campus, Nuzvid 521201, A.P. (India)

    2012-02-15

    The glasses of the composition 10ZnO-30ZnF{sub 2}-60B{sub 2}O{sub 3} doped with different concentrations of CoO were prepared. Differential scanning calorimetric (DSC) studies, optical absorption, photoluminescence and infrared spectra of these glasses have been carried out. DSC studies have indicated that the resistance of the glass against devitrification increases with the increase in the concentration of CoO. Optical absorption spectra have exhibited one octahedral band due to {sup 4}T{sub 1g}(F){yields}{sup 2}T{sub 1g}(H) and two tetrahedral bands due to {sup 4}A{sub 2}({sup 4}F){yields}{sup 4}T{sub 1}({sup 4}P) {sup 4}A{sub 2}({sup 4}F){yields}{sup 4}T{sub 1}({sup 4}F) transitions of Co{sup 2+} ions at about 525, 570 and 1400 nm, respectively. As the concentration of CoO is increased the tetrahedral bands are observed to grow at the expense of octahedral band. The luminescence spectra have exhibited two emission bands in the spectral regions of 600-700 nm and 800-900 nm due to {sup 4}T{sub 1}({sup 4}P){yields}{sup 4}A{sub 2}({sup 4}F) and {sup 4}T{sub 1}({sup 4}P){yields}{sup 4}T{sub 2}({sup 4}F) tetrahedral transitions of Co{sup 2+} ions, respectively. With the increasing content of cobalt ions in the glass matrix, the half width and intensity of these bands are observed to increase. The analysis of the results of these two spectra coupled with IR spectra has indicated that as the concentration of CoO is increased in the glass matrix, the tetrahedral occupancy of cobalt ions dominates over the octahedral occupancy and increase the rigidity of the glass network.

  8. Magnetic Coordinate Systems

    Science.gov (United States)

    Laundal, K. M.; Richmond, A. D.

    2017-03-01

    Geospace phenomena such as the aurora, plasma motion, ionospheric currents and associated magnetic field disturbances are highly organized by Earth's main magnetic field. This is due to the fact that the charged particles that comprise space plasma can move almost freely along magnetic field lines, but not across them. For this reason it is sensible to present such phenomena relative to Earth's magnetic field. A large variety of magnetic coordinate systems exist, designed for different purposes and regions, ranging from the magnetopause to the ionosphere. In this paper we review the most common magnetic coordinate systems and describe how they are defined, where they are used, and how to convert between them. The definitions are presented based on the spherical harmonic expansion coefficients of the International Geomagnetic Reference Field (IGRF) and, in some of the coordinate systems, the position of the Sun which we show how to calculate from the time and date. The most detailed coordinate systems take the full IGRF into account and define magnetic latitude and longitude such that they are constant along field lines. These coordinate systems, which are useful at ionospheric altitudes, are non-orthogonal. We show how to handle vectors and vector calculus in such coordinates, and discuss how systematic errors may appear if this is not done correctly.

  9. Ion-ion collisions

    International Nuclear Information System (INIS)

    Salzborn, Erhard; Melchert, Frank

    2000-01-01

    Collisions between ions belong to the elementary processes occurring in all types of plasmas. In this article we give a short overview about collisions involving one-electron systems. For collisions involving multiply-charged ions we limit the discussion to one specific quasi-one-electron system. (author)

  10. Insulin fibrillation: The influence and coordination of Zn2+

    DEFF Research Database (Denmark)

    Frankær, Christian Grundahl; Sønderby, Pernille; Bang, Maria Blanner

    2017-01-01

    fibrils has been debated for some years. We have therefore investigated the influence and binding geometry of zinc in fibrillated insulin using extended X-ray absorption fine-structure and X-ray absorption near-edge structure spectroscopy. The results were validated with fibre diffraction, Transmission...... Electron Microscopy and Thioflavin T fluorescence measurements. It is well-known that Zn2+ ions coordinate and stabilize the hexameric forms of insulin. However, this study is the first to show that zinc indeed binds to the insulin fibrils. Furthermore, zinc influences the kinetics and the morphology...... of the fibrils. It also shows that zinc coordinates to histidine residues in an environment, which is similar to the coordination seen in the insulin R6 hexamers, where three histidine residues and a chloride ion is coordinating the zinc....

  11. Co-ordination of heterovalent cation impurities in molten salts

    International Nuclear Information System (INIS)

    Andreoni, W.; Rovere, M.; Tosi, M.P.

    1982-01-01

    The local liquid structure around heterovalent cation impurities in molten chlorides is discussed in relation to spectroscopic data on solutions of transition metal ions. A tightly packed, low co-ordination shell is shown to be favoured by Coulomb ionic interactions for physically reasonable values of the size of the impurity. A competition between these forces and ''crystal field'' interactions favouring octahedral co-ordination is thus to be expected for many transition metal ions, as suggested by Gruen and McBeth. The transition observed for some transition metal ions from higher to lower co-ordination with increasing temperature is attributed primarily to entropy differences, that are roughly estimated in a solid-like model. (author)

  12. [Binocular coordination during reading].

    Science.gov (United States)

    Bassou, L; Granié, M; Pugh, A K; Morucci, J P

    1992-01-01

    Is there an effect on binocular coordination during reading of oculomotor imbalance (heterophoria, strabismus and inadequate convergence) and of functional lateral characteristics (eye preference and perceptually privileged visual laterality)? Recordings of the binocular eye-movements of ten-year-old children show that oculomotor imbalances occur most often among children whose left visual perceptual channel is privileged, and that these subjects can present optomotor dissociation and manifest lack of motor coordination. Close binocular motor coordination is far from being the norm in reading. The faster reader displays saccades of differing spatial amplitude and the slower reader an oculomotor hyperactivity, especially during fixations. The recording of binocular movements in reading appears to be an excellent means of diagnosing difficulties related to visual laterality and to problems associated with oculomotor imbalance.

  13. Quantifying linguistic coordination

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Tylén, Kristian

    task (Bahrami et al 2010, Fusaroli et al. 2012) we extend to linguistic coordination dynamical measures of recurrence employed in the analysis of sensorimotor coordination (such as heart-rate (Konvalinka et al 2011), postural sway (Shockley 2005) and eye-movements (Dale, Richardson and Kirkham 2012......). We employ nominal recurrence analysis (Orsucci et al 2005, Dale et al 2011) on the decision-making conversations between the participants. We report strong correlations between various indexes of recurrence and collective performance. We argue this method allows us to quantify the qualities...

  14. Development of rapid universal method for determination of Cs-137 in different environmental samples by means of inorganic ion exchangers. Part of a coordinated programme on radiological and environmental protection studies in the Danube river catchment area

    International Nuclear Information System (INIS)

    Radicheva, M.

    1983-02-01

    Using three synthetic inorganic ion exchangers of the same type - X 2 [YFe (CN) 6 ] (when X=alkali metal, Y=transition metal) one simple and universal rapid method for determination of Cs-137 in environmental samples was developed. The investigations carried out on synthesis, next preparation and practical use in routine analysis showed that K[CoFe(CN) 6 ] (abbr.KCFC-II) is the most suitable for analysis of low level activities of Cs-137 in different environmental samples. The optimum conditions for routine use of KCFC-II in different separation schemes were found. Repeated analysis of Cs-137 in different environmental samples as well as analysis of IAEA-Reference Materials using our rapid and one classical method showed good agreement of the results. The proposed rapid method can be used in emergency situations and in routine radiation control. (author)

  15. Studies on coordination chemistry and bioactivity of complexes of a bidentate oxygen-oxygen donor ligand, 1,2-dibenzoylhydrazine, with Cr3+, Co2+, Ni2+, Cu2+ and Zn2+ Ions

    International Nuclear Information System (INIS)

    Tarafder, M.T.H.; Lai Wee Wong; Crouse, Karen A.; Ali, A.M.; Yamin, B.M.; Fun, H.-K.

    2003-08-01

    A new bidentate ligand, 1,2-dibenzoylhydrazine (DBHz), with OO donor sequences, was prepared. Several complexes of DBHz containing Cr(JJI), Fe(UI), Co(U), Ni(JJ), Cu(II) and Zn(TJ) ions have been synthesized and characterized by CHN analyses, IR, molar conductivity and UV/Visible spectroscopic studies. All of the compounds were tested for their antibacterial, antifungal and anticancer properties. DBHz was very effective against Pseudomonas aeruginosa, Bacillus subtilis mutant and Bacillus subtilis wild type bacteria. It was also effective against Saccaromyces cereiviceae, Candida albicans, Candida albicans lypolytica and Aspergillus ochraceous fungi. The free ligand, DBHz, in particular, was strongly active against colon cancer cell lines (HT-29), with a CD 50 value of 2.5 /μg/ml. (author)

  16. Ion implantation

    International Nuclear Information System (INIS)

    Dearnaley, Geoffrey

    1975-01-01

    First, ion implantation in semiconductors is discussed: ion penetration, annealing of damage, gettering, ion implanted semiconductor devices, equipement requirements for ion implantation. The importance of channeling for ion implantation is studied. Then, some applications of ion implantation in metals are presented: study of the corrosion of metals and alloys; influence or ion implantation on the surface-friction and wear properties of metals; hyperfine interactions in implanted metals

  17. Dimensions of Organizational Coordination

    DEFF Research Database (Denmark)

    Jensen, Andreas Schmidt; Aldewereld, Huib; Dignum, Virginia

    2013-01-01

    be supported to include organizational objectives and constraints into their reasoning processes by considering two alternatives: agent reasoning and middleware regulation. We show how agents can use an organizational specification to achieve organizational objectives by delegating and coordinating...... their activities with other agents in the society, using the GOAL agent programming language and the OperA organizational model....

  18. Reusability of coordination programs

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1996-01-01

    textabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability, and reusability of parallel and/or distributed software. This can be achieved by moving communication primitives (such as SendMessage and

  19. [Civilian-military coordination].

    Science.gov (United States)

    de Montravel, G

    2002-01-01

    Current humanitarian emergencies create complex, mutidimensional situations that stimulate simultaneous responses from a wide variety of sources including governments, non-governmental organizations (NGO), United Nations agencies, and private individuals. As a result, it has become essential to establish a coherent framework in which each actor can contribute promptly and effectively to the overall effort. This is the role of the United Nations Office for the Coordination of Humanitarian Affairs. Regardless of the circumstances and level of coordination, cooperation and collaboration between humanitarian and military personnel, it is necessary to bear in mind their objectives. The purpose of humanitarian action is to reduce human suffering. The purpose of military intervention is to stop warfare. The author of this article will discuss the three major obstacles to civilian-military coordination (strategic, tactical, and operational). Operations cannot be conducted smoothly and differences cannot be ironed out without mutual respect between the two parties, an explicit definition of their respective duties and responsibilities, a clear understanding of their cultural differences, and the presence of an organization and facilities for coordination and arbitrage by a neutral referee.

  20. Coordination of hand shape.

    Science.gov (United States)

    Pesyna, Colin; Pundi, Krishna; Flanders, Martha

    2011-03-09

    The neural control of hand movement involves coordination of the sensory, motor, and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In the first experiment, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, and pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support, or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus, somatosensory and motor information appear to be coordinated in an object-based, spatial-coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness.

  1. Block coordination copolymers

    Science.gov (United States)

    Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

    2012-11-13

    The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

  2. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

    Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose

    2012-01-01

    on the efficient equilibrium, we consider sunspots as a potential reason for coordination failure. We conduct an experiment with a three player 2x2x2 game in which coordination on the efficient equilibrium is easy and should normally occur. In the control session, we find almost perfect coordination on the payoff......-dominant equilibrium, but in the sunspot treatment, dis-coordination is frequent. Sunspots lead to significant inefficiency, and we conclude that sunspots can indeed cause coordination failure....

  3. Thermodynamic stability of binary systems involving metal ions and the 4-methoxy benzylidenepyruvate in aqueous solution; Estabilidade termodinamica de sistemas binarios envolvendo ions metalicos e o 4-metoxibenzalpiruvato, em solucao aquosa

    Energy Technology Data Exchange (ETDEWEB)

    Redigolo, H.

    1989-12-31

    A review on studies previously carried out in this laboratory involving metal ions and benzylidene-pyruvate, in aqueous solutions, is presented; emphasis is mainly placed on complexes comprising 4-Dimethyl-amino-benzylidene-pyruvate (DMBP, p{sup K}{sub a} 3.79) and 2-Chloro-4-Dimethyl-amino-benzylidene-pyruvate (2 Cl-DMBP, p{sup k}{sub a} = 3.08). In an endeavour to extend the previous work, the dissociation constant of 4-methoxy-benzylidene-pyruvic acid (H-4-Me O-BP) was determined spectrophotometrically at 25.0 +- 0.1{sup 0} C and ionic strength 0.500 M, held with sodium perchlorate (p{sup k}{sub a} = 1.473). The complex formation equilibria in M-4-Me O-BP systems, where M = Cu(II), La(III), Pr(III), Sm(III), Lu(III), Sc (III), In(III), Ga(III) or Th(IV) were investigated, also spectrophotometrically, in the above mentioned experimental conditions. In addition, the system involving Sm(III) was reinvestigated at ionic strengths 0.100 and 2.00 M, the remaining experimental conditions being maintained. The study is mostly concerned with the determination of formation constants of 1:1 complex species ({beta}{sub 1}) and spectrophotometric parameters associated with these species. The investigation of possible higher binary complexes (ML{sub n}, n > 1) was prevented by solubility limitations. For all considered metal ions, log {beta}{sub 1} (DMBP) > log {beta}{sub 1} (4-Me O-BP) indicating that the stability is governed, at least in part, by ligand basicity. (author). 121 refs, 36 figs, 20 tabs.

  4. Use of mass spectrometry for study of coordination compounds

    International Nuclear Information System (INIS)

    Gehrbehlehu, N.V.; Indrichan, K.M.

    1981-01-01

    A review on mass-spectrometry of coordination compounds including the works published up to 1979 inclusive is provided. Mainly the products of metals with bi- and tetradentate ligands are considered using the method. Mo and Be carboxylates for which molecular ions lines are found in mass-spectra are studied. The study of mass-spectra for VO chelates with thiosemicarbazone of salicyl aldehyde is carried out. Application of the mass-spectrometry method permits to establish the mass of coordination compounds, the structure of complexes, dentate structure and the way of ligand coordination, the bond strength [ru

  5. Mechanical signaling coordinates the embryonic heartbeat

    Science.gov (United States)

    Chiou, Kevin K.; Rocks, Jason W.; Chen, Christina Yingxian; Cho, Sangkyun; Merkus, Koen E.; Rajaratnam, Anjali; Robison, Patrick; Tewari, Manorama; Vogel, Kenneth; Majkut, Stephanie F.; Prosser, Benjamin L.; Discher, Dennis E.; Liu, Andrea J.

    2016-01-01

    In the beating heart, cardiac myocytes (CMs) contract in a coordinated fashion, generating contractile wave fronts that propagate through the heart with each beat. Coordinating this wave front requires fast and robust signaling mechanisms between CMs. The primary signaling mechanism has long been identified as electrical: gap junctions conduct ions between CMs, triggering membrane depolarization, intracellular calcium release, and actomyosin contraction. In contrast, we propose here that, in the early embryonic heart tube, the signaling mechanism coordinating beats is mechanical rather than electrical. We present a simple biophysical model in which CMs are mechanically excitable inclusions embedded within the extracellular matrix (ECM), modeled as an elastic-fluid biphasic material. Our model predicts strong stiffness dependence in both the heartbeat velocity and strain in isolated hearts, as well as the strain for a hydrogel-cultured CM, in quantitative agreement with recent experiments. We challenge our model with experiments disrupting electrical conduction by perfusing intact adult and embryonic hearts with a gap junction blocker, β-glycyrrhetinic acid (BGA). We find this treatment causes rapid failure in adult hearts but not embryonic hearts—consistent with our hypothesis. Last, our model predicts a minimum matrix stiffness necessary to propagate a mechanically coordinated wave front. The predicted value is in accord with our stiffness measurements at the onset of beating, suggesting that mechanical signaling may initiate the very first heartbeats. PMID:27457951

  6. Particle simulation in curvilinear coordinate systems

    International Nuclear Information System (INIS)

    LeBrun, M.J.; Tajima, T.

    1989-01-01

    We present methods for particle simulation of plasmas in a nearly arbitrary coordinate metric and describe a toroidal electrostatic simulation code that evolved from this effort. A Mercier-type coordinate system is used, with a nonuniform radial grid for improved cross-field resolution. A fast iterative method for solving the Poisson equation is employed, and the interpolation/filtering technique shown to be momentum and energy conserving in the continuum limit. Lorentz ion and drift electron species are used. The code has been thoroughly tested for its reproduction of linear and nonlinear physics, and has been applied to the toroidal drift wave problem and its impact on anomalous transport in tokamaks. 40 refs., 10 figs., 1 tab

  7. Improving Project Manufacturing Coordination

    Directory of Open Access Journals (Sweden)

    Korpivaara Ville

    2014-09-01

    Full Text Available The objective of this research is to develop firms’ project manufacturing coordination. The development will be made by centralizing the manufacturing information flows in one system. To be able to centralize information, a deep user need assessment is required. After user needs have been identified, the existing system will be developed to match these needs. The theoretical background is achieved through exploring the literature of project manufacturing, development project success factors and different frameworks and tools for development project execution. The focus of this research is rather in customer need assessment than in system’s technical expertise. To ensure the deep understanding of customer needs this study is executed by action research method. As a result of this research the information system for project manufacturing coordination was developed to respond revealed needs of the stakeholders. The new system improves the quality of the manufacturing information, eliminates waste in manufacturing coordination processes and offers a better visibility to the project manufacturing. Hence it provides a solid base for the further development of project manufacturing.

  8. Universal mechatronics coordinator

    Science.gov (United States)

    Muir, Patrick F.

    1999-11-01

    Mechatronic systems incorporate multiple actuators and sensor which must be properly coordinated to achieve the desired system functionality. Many mechatronic systems are designed as one-of-a-kind custom projects without consideration for facilitating future system or alterations and extensions to the current syste. Thus, subsequent changes to the system are slow, different, and costly. It has become apparent that manufacturing processes, and thus the mechatronics which embody them, need to be agile in order to more quickly and easily respond to changing customer demands or market pressures. To achieve agility, both the hardware and software of the system need to be designed such that the creation of new system and the alteration and extension of current system is fast and easy. This paper describes the design of a Universal Mechatronics Coordinator (UMC) which facilitates agile setup and changeover of coordination software for mechatronic systems. The UMC is capable of sequencing continuous and discrete actions that are programmed as stimulus-response pairs, as state machines, or a combination of the two. It facilitates the modular, reusable programing of continuous actions such as servo control algorithms, data collection code, and safety checking routines; and discrete actions such as reporting achieved states, and turning on/off binary devices. The UMC has been applied to the control of a z- theta assembly robot for the Minifactory project and is applicable to a spectrum of widely differing mechatronic systems.

  9. Transport of Alkali Metal Ions through a Liquid Membrane System ...

    African Journals Online (AJOL)

    crown-6, [K(MF18C6)](picrate) was determined by X-ray crystallography and showed that each potassium ion is eight-coordinate; each K+ ion is coordinated to the six oxygen atoms of the crown, to the phenolate oxygen atom and to one of the ...

  10. Coordinator, Translation Services | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Coordinator, Translation Services coordinates the overall operations of the ... services in IDRC by acting as the main resource person for internal clients ... all operational issues in order to ensure good quality products delivered on time.

  11. Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect

    NARCIS (Netherlands)

    Helliwell, John R.; Tanley, Simon W. M.; Schreurs, Antoine M. M.; Kroon - Batenburg, Louise

    2016-01-01

    Following the interest of L Messori and A Merlino 2016 Coordination Chemistry Reviews in the platinum ions coordination geometries in our PDB entries 4dd4 and 4dd6 we have extended our original analyses.

  12. Recursive Advice for Coordination

    DEFF Research Database (Denmark)

    Terepeta, Michal Tomasz; Nielson, Hanne Riis; Nielson, Flemming

    2012-01-01

    Aspect-oriented programming is a programming paradigm that is often praised for the ability to create modular software and separate cross-cutting concerns. Recently aspects have been also considered in the context of coordination languages, offering similar advantages. However, introducing aspects...... challenging. This is important since ensuring that a system does not contain errors is often equivalent to proving that some states are not reachable. In this paper we show how to solve these challenges by applying a successful technique from the area of software model checking, namely communicating pushdown...

  13. A novel one-dimensional chain built of vanadyl ions and pyrazine-2,5-dicarboxylate

    NARCIS (Netherlands)

    Lankelma, M.; de Boer, J.; Ferbinteanu, M.; Dantas Ramos, A.L.; Tanasa, R.; Rothenberg, G.; Tanase, S.

    2015-01-01

    We present a new coordination polymer, {[VO(pzdc)(H2O)(2)] H2O}(n), built from vanadyl and pyrazine-2,5-dicarboxylate (pzdc) ions. It consists of a one-dimensional chain of vanadyl ions linked by pzdc ions. The carboxylate groups show monodentate coordination, while the pyrazine ring is present both

  14. Metal selective co-ordinative self-assembly of π-donors

    Indian Academy of Sciences (India)

    Metal selective co-ordinative nanostructures were constructed by the supramolecular ... observed an anomalous binding of metal ion to the core sulphur groups causing redox changes in the TTF ... attention on metal-assisted co-ordinative self-assembly ..... M TTF-Py in 1:1 CHCl3: MeCN and (c) photographs showing visual.

  15. Network Coordinator Report

    Science.gov (United States)

    Himwich, Ed; Strand, Richard

    2013-01-01

    This report includes an assessment of the network performance in terms of lost observing time for the 2012 calendar year. Overall, the observing time loss was about 12.3%, which is in-line with previous years. A table of relative incidence of problems with various subsystems is presented. The most significant identified causes of loss were electronics rack problems (accounting for about 21.8% of losses), antenna reliability (18.1%), RFI (11.8%), and receiver problems (11.7%). About 14.2% of the losses occurred for unknown reasons. New antennas are under development in the USA, Germany, and Spain. There are plans for new telescopes in Norway and Sweden. Other activities of the Network Coordinator are summarized.

  16. Coordinating Group report

    International Nuclear Information System (INIS)

    1994-01-01

    In December 1992, western governors and four federal agencies established a Federal Advisory Committee to Develop On-site Innovative Technologies for Environmental Restoration and Waste Management (the DOIT Committee). The purpose of the Committee is to advise the federal government on ways to improve waste cleanup technology development and the cleanup of federal sites in the West. The Committee directed in January 1993 that information be collected from a wide range of potential stakeholders and that innovative technology candidate projects be identified, organized, set in motion, and evaluated to test new partnerships, regulatory approaches, and technologies which will lead to improve site cleanup. Five working groups were organized, one to develop broad project selection and evaluation criteria and four to focus on specific contaminant problems. A Coordinating Group comprised of working group spokesmen and federal and state representatives, was set up to plan and organize the routine functioning of these working groups. The working groups were charged with defining particular contaminant problems; identifying shortcomings in technology development, stakeholder involvement, regulatory review, and commercialization which impede the resolution of these problems; and identifying candidate sites or technologies which could serve as regional innovative demonstration projects to test new approaches to overcome the shortcomings. This report from the Coordinating Group to the DOIT Committee highlights the key findings and opportunities uncovered by these fact-finding working groups. It provides a basis from which recommendations from the DOIT Committee to the federal government can be made. It also includes observations from two public roundtables, one on commercialization and another on regulatory and institutional barriers impeding technology development and cleanup

  17. Coordination structure of adsorbed Zn(II) at Water-TiO2 interfaces

    Energy Technology Data Exchange (ETDEWEB)

    He, G.; Pan, G.; Zhang, M.; Waychunas, G.A.

    2011-01-15

    The local structure of aqueous metal ions on solid surfaces is central to understanding many chemical and biological processes in soil and aquatic environments. Here, the local coordination structure of hydrated Zn(II) at water-TiO{sub 2} interfaces was identified by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) spectroscopy combined with density functional theory (DFT) calculations. A nonintegral coordination number of average {approx}4.5 O atoms around a central Zn atom was obtained by EXAFS analysis. DFT calculations indicated that this coordination structure was consistent with the mixture of 4-coordinated bidentate binuclear (BB) and 5-coordinated bidentate mononuclear (BM) metastable equilibrium adsorption (MEA) states. The BB complex has 4-coordinated Zn, while the monodentate mononuclear (MM) complex has 6-coordinated Zn, and a 5-coordinated adsorbed Zn was found in the BM adsorption mode. DFT calculated energies showed that the lower-coordinated BB and BM modes were thermodynamically more favorable than the higher-coordinated MM MEA state. The experimentally observed XANES fingerprinting provided additional direct spectral evidence of 4- and 5-coordinated Zn-O modes. The overall spectral and computational evidence indicated that Zn(II) can occur in 4-, 5-, and 6-oxygen coordinated sites in different MEA states due to steric hindrance effects, and the coexistence of different MEA states formed the multiple coordination environments.

  18. Metal Ion Controlled Polymorphism of a Peptide

    DEFF Research Database (Denmark)

    Hemmingsen, Lars Bo Stegeager; Jancso, Attila; Szunyogh, Daniel

    2011-01-01

    ions on fully or partially unstructured proteins, or the effect of metal ions on protein aggregation. Metal ions may be employed to fold (or misfold) individual peptides in a controlled manner depending on the potential metal ion coordinating amino acid side chains (Cys, His, Asp, Glu......In this work a metal ion binding model dodecapeptide was investigated in terms of its capacity to adopt different structures depending on the metal ion to peptide stoichiometry. The dodecapeptide is much simpler than real proteins, yet displays sufficient complexity to model the effect of metal......, …) in the peptide, and the ligand and structural preferences of the metal ion (in our studies Zn2+, Cd2+, Hg2+, Cu+/2+). Simultaneously, new species such as metal ion bridged ternary complexes or even oligomers may be formed. In recent previous studies we have observed similar polymorphism of zinc finger model...

  19. Coordinates in relativistic Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1984-01-01

    The physical (covariant and measurable) coordinates of free particles and covariant coordinates of the center of inertia are found for three main forms of relativistic dynamics. In the point form of dynamics, the covariant coordinates of two directly interacting particles are found, and the equations of motion are brought to the explicitly covariant form. These equations are generalized to the case of interaction with an external electromagnetic field

  20. Gold nanoparticles modified with coordination compounds of metals: synthesis and application

    International Nuclear Information System (INIS)

    Beloglazkina, Elena K; Majouga, Alexander G; Romashkina, Renata B; Zyk, Nikolai V; Zefirov, Nikolai S

    2012-01-01

    The data on the preparation methods and applications of gold nanoparticles with coordinated metal ions on the surfaces are generalized. The currently available data on the interaction of metal ions with gold nanoparticles modified with organic (particularly, sulfur-containing) ligands comprising terminal chelating groups are considered in detail as well as the applications of such modified nanoparticles. The bibliography includes 141 references.

  1. Coordination symmetry determination of some lanthanide complexes by x-ray diffraction

    International Nuclear Information System (INIS)

    Oliveira Paiva Santos, C. de.

    1983-01-01

    The x-ray determination of the crystal and molecular structures of three lanthanide complexes is described. The work is a contribution to the study of the coordination chemistry of lanthanide ions with organic ligands and in particular, it aims to compare the observed point symmetry of the ion environment with spectroscopic predictions. (author)

  2. COORDINATION OF CASSAVA STARCH TO METAL IONS AND ...

    African Journals Online (AJOL)

    a

    starch. On the other hand, the decomposition proceeded at a lower rate than the decomposition of ... Metal salts influenced the thermal decomposition of starches [4, 5]. Thus, properly ..... reactions of starch resulting in dextrins. After the ...

  3. Six-Coordinate Ln(III Complexes with Various Coordination Geometries Showing Distinct Magnetic Properties

    Directory of Open Access Journals (Sweden)

    Mei Guo

    2018-01-01

    Full Text Available The syntheses, structural characterization, and magnetic properties of three lanthanide complexes with formulas [Ln(L13] (Ln = Dy (1Dy; Er (1Er; and [Dy(L22] (2Dy were reported. Complexes 1Dy and 1Er are isostructural with the metal ion in distorted trigonal-prismatic coordination geometry, but exhibit distinct magnetic properties due to the different shapes of electron density for DyIII (oblate and ErIII (prolate ions. Complex 1Dy shows obvious SMM behavior under a zero direct current (dc field with an effective energy barrier of 31.4 K, while complex 1Er only features SMM behavior under a 400 Oe external field with an effective energy barrier of 23.96 K. In stark contrast, complex 2Dy with the octahedral geometry only exhibits the frequency dependence of alternating current (ac susceptibility signals without χ″ peaks under a zero dc field.

  4. Coordination of Conditional Poisson Samples

    Directory of Open Access Journals (Sweden)

    Grafström Anton

    2015-12-01

    Full Text Available Sample coordination seeks to maximize or to minimize the overlap of two or more samples. The former is known as positive coordination, and the latter as negative coordination. Positive coordination is mainly used for estimation purposes and to reduce data collection costs. Negative coordination is mainly performed to diminish the response burden of the sampled units. Poisson sampling design with permanent random numbers provides an optimum coordination degree of two or more samples. The size of a Poisson sample is, however, random. Conditional Poisson (CP sampling is a modification of the classical Poisson sampling that produces a fixed-size πps sample. We introduce two methods to coordinate Conditional Poisson samples over time or simultaneously. The first one uses permanent random numbers and the list-sequential implementation of CP sampling. The second method uses a CP sample in the first selection and provides an approximate one in the second selection because the prescribed inclusion probabilities are not respected exactly. The methods are evaluated using the size of the expected sample overlap, and are compared with their competitors using Monte Carlo simulation. The new methods provide a good coordination degree of two samples, close to the performance of Poisson sampling with permanent random numbers.

  5. Coordination in continuously repeated games

    NARCIS (Netherlands)

    Weeren, A.J.T.M.; Schumacher, J.M.; Engwerda, J.C.

    1995-01-01

    In this paper we propose a model to describe the effectiveness of coordination in a continuously repeated two-player game. We study how the choice of a decision rule by a coordinator affects the strategic behavior of the players, resulting in more or less cooperation. Our model requires the analysis

  6. Coordinated Transportation: Problems and Promise?

    Science.gov (United States)

    Fickes, Michael

    1998-01-01

    Examines the legal, administrative, and logistical barriers that have prevented the wide acceptance of coordinating community and school transportation services and why these barriers may be breaking down. Two examples of successful implementation of coordinated transportation are examined: employing a single system to serve all transportation…

  7. Bare coordination: the semantic shift

    NARCIS (Netherlands)

    de Swart, Henriette; Le Bruyn, Bert

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type,

  8. Ion Colliders

    CERN Document Server

    Fischer, W

    2014-01-01

    High-energy ion colliders are large research tools in nuclear physics to study the Quark-Gluon-Plasma (QGP). The range of collision energy and high luminosity are important design and operational considerations. The experiments also expect flexibility with frequent changes in the collision energy, detector fields, and ion species. Ion species range from protons, including polarized protons in RHIC, to heavy nuclei like gold, lead and uranium. Asymmetric collision combinations (e.g. protons against heavy ions) are also essential. For the creation, acceleration, and storage of bright intense ion beams, limits are set by space charge, charge change, and intrabeam scattering effects, as well as beam losses due to a variety of other phenomena. Currently, there are two operating ion colliders, the Relativistic Heavy Ion Collider (RHIC) at BNL, and the Large Hadron Collider (LHC) at CERN.

  9. Recoil ions

    International Nuclear Information System (INIS)

    Cocke, C.L.; Olson, R.E.

    1991-01-01

    The collision of a fast moving heavy ion with a neutral atomic target can produce very highly charged but slowly moving target ions. This article reviews experimental and theoretical work on the production and use of recoil ions beyond the second ionization state by beams with specific energies above 0.5 MeV/amu. A brief historical survey is followed by a discussion of theoretical approaches to the problem of the removal of many electrons from a neutral target by a rapid, multiply charged projectile. A discussion of experimental techniques and results for total and differential cross sections for multiple ionization of atomic and molecular targets is given. Measurements of recoil energy are discussed. The uses of recoil ions for in situ spectroscopy of multiply charged ions, for external beams of slow, highly charged ions and in ion traps are reviewed. Some possible future opportunities are discussed. (orig.)

  10. Multipole structure and coordinate systems

    International Nuclear Information System (INIS)

    Burko, Lior M

    2007-01-01

    Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the lowest non-vanishing one.) This result is demonstrated for the case of two equal like electric charges. Specifically, an adapted coordinate system in which the potential is given by a monopole term only is explicitly found, the coefficients of all higher multipoles vanish identically. It is suggested that this result can be generalized to other potential problems, by making equal coordinate surfaces adapt to the potential problem's equipotential surfaces

  11. CARE07 Coordinated Accelerator Research in Europe

    CERN Multimedia

    2007-01-01

    Annual Meeting, at CERN, 29-31 October 2007 The CARE project started on 1st January 2004 and will end on 31st December 2008. At the end of each year, the progress and status of its activities are reported in a general meeting. This year, the meeting takes place at CERN. The CARE objective is to generate structured and integrated European cooperation in the field of accelerator research and related R&D. The programme includes the most advanced scientific and technological developments, relevant to accelerator research for particle physics. It is articulated around three Networking Activities and four Joint Activities. The Networking Activities ELAN, BENE and HHH aim to better coordinate R&D efforts at the European level and to strengthen Europe’s ability to produce intense and high-energy particle beams (electrons and positrons, muons and neutrinos, protons and ions, respectively). The Joint Activities, SRF, PHIN, HIPPI and NED, aim at technical developments on s...

  12. CARE07 Coordinated Accelerator Research in Europe

    CERN Multimedia

    2007-01-01

    Annual Meeting, at CERN, 29-31 October 2007 The CARE project started on 1st January 2004 and will end on 31st December 2008. At the end of each year, the progress and status of its activities are reported in a general meeting. This year, the meeting is taking place at CERN. The CARE objective is to generate structured and integrated European cooperation in the field of accelerator research and related R&D. The programme includes the most advanced scientific and technological developments, relevant to accelerator research for particle physics. It is articulated around three Networking Activities and four Joint Activities. The Networking Activities ELAN, BENE and HHH aim to better coordinate R&D efforts at the European level and to strengthen Europe’s ability to produce intense and high-energy particle beams (electrons and positrons, muons and neutrinos, protons and ions, respectively). The Joint Activities, SRF, PHIN, HIPPI and NED, aim at technical developments ...

  13. Seventeen-coordinate actinide helium complexes

    Energy Technology Data Exchange (ETDEWEB)

    Kaltsoyannis, Nikolas [School of Chemistry, The University of Manchester (United Kingdom)

    2017-06-12

    The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe{sub 17}{sup 3+}, ThHe{sub 17}{sup 4+}, and PaHe{sub 17}{sup 4+} are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHe{sub n}{sup 3+} (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these systems as having closed shell, charge-induced dipole bonding. Excellent correlations (R{sup 2}>0.95) are found between QTAIM metrics (bond critical point electron densities and delocalization indices) and the average Ac-He distances, and also with the incremental He binding energies. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Double-double effect and coordination number

    International Nuclear Information System (INIS)

    Mioduski, T.

    1992-01-01

    The original method of interpretation together with its theoretical foundations is developed, making it possible to use location and direction of the double-double (tetrad) effect within the Ln and An series to determine the coordination number (CN) complexes of the f-block elements. The method is applied for potentiometric and radiometric equilibrium studies. It has been pointed and that the decisive factor for the direction of the double-double effect in the case of the Gibbs energy variations is a difference in the CN of the f-element ion between the reaction product complex and that for the reaction substrate the ''regular'' effect for a given tetrad is accompanied by decrease in the CN while the ''reverse'' effect by increase in the CN. (author). 122 refs, 5 tabs, 8 figs

  15. Heteroditopic receptors for ion-pair recognition.

    Science.gov (United States)

    McConnell, Anna J; Beer, Paul D

    2012-05-21

    Ion-pair recognition is a new field of research emerging from cation and anion coordination chemistry. Specific types of heteroditopic receptor designs for ion pairs and the complexity of ion-pair binding are discussed to illustrate key concepts such as cooperativity. The importance of this area of research is reflected by the wide variety of potential applications of ion-pair receptors, including applications as membrane transport and salt solubilization agents and sensors. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Ion colliders

    International Nuclear Information System (INIS)

    Fischer, W.

    2010-01-01

    Ion colliders are research tools for high-energy nuclear physics, and are used to test the theory of Quantum Chromo Dynamics (QCD). The collisions of fully stripped high-energy ions create matter of a temperature and density that existed only microseconds after the Big Bang. Ion colliders can reach higher densities and temperatures than fixed target experiments although at a much lower luminosity. The first ion collider was the CERN Intersecting Storage Ring (ISR), which collided light ions (77Asb1, 81Bou1). The BNL Relativistic Heavy Ion Collider (RHIC) is in operation since 2000 and has collided a number of species at numerous energies. The CERN Large Hadron Collider (LHC) started the heavy ion program in 2010. Table 1 shows all previous and the currently planned running modes for ISR, RHIC, and LHC. All three machines also collide protons, which are spin-polarized in RHIC. Ion colliders differ from proton or antiproton colliders in a number of ways: the preparation of the ions in the source and the pre-injector chain is limited by other effects than for protons; frequent changes in the collision energy and particle species, including asymmetric species, are typical; and the interaction of ions with each other and accelerator components is different from protons, which has implications for collision products, collimation, the beam dump, and intercepting instrumentation devices such a profile monitors. In the preparation for the collider use the charge state Z of the ions is successively increased to minimize the effects of space charge, intrabeam scattering (IBS), charge change effects (electron capture and stripping), and ion-impact desorption after beam loss. Low charge states reduce space charge, intrabeam scattering, and electron capture effects. High charge states reduce electron stripping, and make bending and acceleration more effective. Electron stripping at higher energies is generally more efficient. Table 2 shows the charge states and energies in the

  17. Ion colliders

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, W.

    2011-12-01

    Ion colliders are research tools for high-energy nuclear physics, and are used to test the theory of Quantum Chromo Dynamics (QCD). The collisions of fully stripped high-energy ions create matter of a temperature and density that existed only microseconds after the Big Bang. Ion colliders can reach higher densities and temperatures than fixed target experiments although at a much lower luminosity. The first ion collider was the CERN Intersecting Storage Ring (ISR), which collided light ions [77Asb1, 81Bou1]. The BNL Relativistic Heavy Ion Collider (RHIC) is in operation since 2000 and has collided a number of species at numerous energies. The CERN Large Hadron Collider (LHC) started the heavy ion program in 2010. Table 1 shows all previous and the currently planned running modes for ISR, RHIC, and LHC. All three machines also collide protons, which are spin-polarized in RHIC. Ion colliders differ from proton or antiproton colliders in a number of ways: the preparation of the ions in the source and the pre-injector chain is limited by other effects than for protons; frequent changes in the collision energy and particle species, including asymmetric species, are typical; and the interaction of ions with each other and accelerator components is different from protons, which has implications for collision products, collimation, the beam dump, and intercepting instrumentation devices such a profile monitors. In the preparation for the collider use the charge state Z of the ions is successively increased to minimize the effects of space charge, intrabeam scattering (IBS), charge change effects (electron capture and stripping), and ion-impact desorption after beam loss. Low charge states reduce space charge, intrabeam scattering, and electron capture effects. High charge states reduce electron stripping, and make bending and acceleration more effective. Electron stripping at higher energies is generally more efficient. Table 2 shows the charge states and energies in the

  18. Keep Meaning in Conversational Coordination

    Directory of Open Access Journals (Sweden)

    Elena Clare Cuffari

    2014-12-01

    Full Text Available Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making. These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination.

  19. Coordinating distributed work : Exploring situated coordination with gaming-simulation

    NARCIS (Netherlands)

    van Laere, J.

    2003-01-01

    Organizational work has become more and more distributed nowadays. Information and communication technologies (ICT) provide opportunities to improve coordination of distributed work, but in practice many organizations struggle with integrating new organizational structures, new work practices and

  20. RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium.

    Directory of Open Access Journals (Sweden)

    José Diogo L Dutra

    Full Text Available The RM1 model for the lanthanides is parameterized for complexes of the trications of lanthanum, cerium, and praseodymium. The semiempirical quantum chemical model core stands for the [Xe]4fn electronic configuration, with n =0,1,2 for La(III, Ce(III, and Pr(III, respectively. In addition, the valence shell is described by three electrons in a set of 5d, 6s, and 6p orbitals. Results indicate that the present model is more accurate than the previous sparkle models, although these are still very good methods provided the ligands only possess oxygen or nitrogen atoms directly coordinated to the lanthanide ion. For all other different types of coordination, the present RM1 model for the lanthanides is much superior and must definitely be used. Overall, the accuracy of the model is of the order of 0.07Å for La(III and Pr(III, and 0.08Å for Ce(III for lanthanide-ligand atom distances which lie mostly around the 2.3Å to 2.6Å interval, implying an error around 3% only.

  1. Coordination chemistry of the tiing tris(2-sallicilamidoetil)amina

    International Nuclear Information System (INIS)

    Fernandez Montalto, A. C.

    1997-01-01

    Synthesizes a new one tiing hexadented denominated tris (2-salicilamidoetil)amina, starting from the tris (2-aminoetil) amina and three equivalent of fenilo salicilato (salol). The aductos that are formed starting from this tiing with metallic ions of transition di- and trivalent, they are complex of the type LHM and LM respectively, showing a sphere of coordination pseudooctaedrica. The complex Lfe, Lcr and LHCu were synthesized, which were characterized by means of methods spectroscopy and magnetic [es

  2. The coordinate transforming in geography information system

    International Nuclear Information System (INIS)

    Zhao Xiang; Chen Gang

    2003-01-01

    The coordinate transforming of geography information system includes two kinds of transforming, map projection and coordinate-transforming. This paper proposed a arithmetic of coordinate-transforming, it implement the transforming between the longitude-latitude coordinate and the screen coordinate and apply it in the GIS. The preferable effect was made. (authors)

  3. Who matters in coordination problems?

    Czech Academy of Sciences Publication Activity Database

    Sákovics, J.; Steiner, Jakub

    2012-01-01

    Roč. 102, č. 7 (2012), s. 3439-3461 ISSN 0002-8282 Institutional support: RVO:67985998 Keywords : coordination problem s * heterogeneous agents Subject RIV: AH - Economics Impact factor: 2.792, year: 2012

  4. Coordination Processes in International Organisations

    DEFF Research Database (Denmark)

    Nedergaard, Peter

    2008-01-01

    The EU is not a member of the International Labour Organisation (ILO), but relatively elaborate EU coordination takes place anyway. This paper addresses two research questions: 1) How is it possible to evaluate the coordination of the EU in its specific observable configuration in the ILO?, and 2......-à-vis their principals, the Member States. The Commission is the leading agent in the phase leading up to the Conference; the Presidency then takes over. On the one hand, due to the Treaty obligations and their interpretations by the Court of Justice, both the Presidency and the Commission are kept within tight limits...... by the principals. On the other hand, both before and during the Conference, the Member States accept the so-called discursive coordination of the Commission, which seems to be of great (but often neglected) importance. Owing to the organisational set-up in which coordination takes place, the EU is able...

  5. Hall effect in noncommutative coordinates

    International Nuclear Information System (INIS)

    Dayi, Oemer F.; Jellal, Ahmed

    2002-01-01

    We consider electrons in uniform external magnetic and electric fields which move on a plane whose coordinates are noncommuting. Spectrum and eigenfunctions of the related Hamiltonian are obtained. We derive the electric current whose expectation value gives the Hall effect in terms of an effective magnetic field. We present a receipt to find the action which can be utilized in path integrals for noncommuting coordinates. In terms of this action we calculate the related Aharonov-Bohm phase and show that it also yields the same effective magnetic field. When magnetic field is strong enough this phase becomes independent of magnetic field. Measurement of it may give some hints on spatial noncommutativity. The noncommutativity parameter θ can be tuned such that electrons moving in noncommutative coordinates are interpreted as either leading to the fractional quantum Hall effect or composite fermions in the usual coordinates

  6. Future in actinoids coordination chemistry

    International Nuclear Information System (INIS)

    Kitazawa, Takafumi

    2006-01-01

    Actinoids coordination chemistry is concerned with spent nuclear fuel reprocessing, specifically with solid-state chemistry of nuclear fuels, separation process with radioactive substances, and geological disposal of high-level radioactive substances. In the 21st century, accumulation of minor actinides, Np, Am, Cm, and others will be realized according with the present program of nuclear energy development. The present article briefly introduces general properties of actinide elements, followed by their coordination chemistry compared with rare earths coordination chemistry. Special facility needed to treat actinoids as well as their chemistry is briefly explained, together with the specific experimental apparatus such as X-ray Absorption Fine Structure (XAFS) and time-resolved laser-induced fluorescence spectrometry (TRLFS) with synchrotron radiation facilities. The effect of coordination with actinoids in the environment chemistry is important in underground disposal of high-level radioactive wastes. For theoretical analysis of the results with actinoids chemistry, relativistic calculation is needed. (S. Ohno)

  7. Coordination theory and collaboration technology

    CERN Document Server

    Olson, Gary M; Smith, John B

    2001-01-01

    The National Science Foundation funded the first Coordination Theory and Collaboration Technology initiative to look at systems that support collaborations in business and elsewhere. This book explores the global revolution in human interconnectedness. It will discuss the various collaborative workgroups and their use in technology. The initiative focuses on processes of coordination and cooperation among autonomous units in human systems, in computer and communication systems, and in hybrid organizations of both systems. This initiative is motivated by three scientific issues which have been

  8. Path integrals in curvilinear coordinates

    International Nuclear Information System (INIS)

    Prokhorov, L.V.

    1984-01-01

    Integration limits are studied for presenting the path integral curvilinear coordinates. For spherical (and topoloqically equivalent) coordinates it is shown that in formulas involving classical action in the exponent integration over all variables should be carried out within infinite limits. Another peculiarity is associated with appearance of the operator q which provides a complete definition of the wave functions out of the physical region. arguments are given upporting the validity of the cited statament in the general case

  9. ion irradiation

    Indian Academy of Sciences (India)

    Swift heavy ions interact predominantly through inelastic scattering while traversing any polymer medium and produce excited/ionized atoms. Here samples of the polycarbonate Makrofol of approximate thickness 20 m, spin coated on GaAs substrate were irradiated with 50 MeV Li ion (+3 charge state). Build-in ...

  10. Ion microprobes

    International Nuclear Information System (INIS)

    Coles, J.N.; Long, J.V.P.

    1977-01-01

    An ion microprobe is described that has an ion extraction arrangement comprising two separate paths for ions and electrons diverging from a common point. A cone shaped or pyramidal guard electrode surrounds each path the apex angles being equal and coinciding with the said point. The guard electrodes are positioned to lie tangentially to each other and to a planar surface including the said point. An aperture is provided for the two paths at the apexes of both guard electrodes, and electrical connections between the guard electrodes enable the same potential to be applied to both guard electrodes. Means are provided for generating oppositely polarised electric fields within the guard electrodes, together with means for causing a focused ion beam to strike the common point without suffering astigmatism. The means for causing a focused ion beam to strike the said point includes an ion gun for directing an ion beam along one of the paths and means to provide an axial accelerating field there along. Optical viewing means are also provided. Existing designs enable only ions or electrons, but not both, to be extracted at any one time. (U.K.)

  11. Managing interteam coordination within and between organizations

    NARCIS (Netherlands)

    de Vries, Thomas Arend

    2015-01-01

    To accomplish complex tasks and effectively respond to environmental contingencies, teams must coordinate task-related issues with other teams (i.e., interteam coordination). Regrettably, interteam coordination is often complicated by misunderstandings that can arise from differences in teams’

  12. Motor coordination uses external spatial coordinates independent of developmental vision.

    Science.gov (United States)

    Heed, Tobias; Röder, Brigitte

    2014-07-01

    The constraints that guide bimanual movement coordination are informative about the processing principles underlying movement planning in humans. For example, symmetry relative to the body midline benefits finger and hand movements independent of hand posture. This symmetry constraint has been interpreted to indicate that movement coordination is guided by a perceptual code. Although it has been assumed implicitly that the perceptual system at the heart of this constraint is vision, this relationship has not been tested. Here, congenitally blind and sighted participants made symmetrical and non-symmetrical (that is, parallel) bimanual tapping and finger oscillation movements. For both groups, symmetrical movements were executed more correctly than parallel movements, independent of anatomical constraints like finger homology and hand posture. For the blind, the reliance on external spatial factors in movement coordination stands in stark contrast to their use of an anatomical reference frame in perceptual processing. Thus, the externally coded symmetry constraint evident in bimanual coordination can develop in the absence of the visual system, suggesting that the visual system is not critical for the establishment of an external-spatial reference frame in movement coordination. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. On the solvation of actinide ions

    International Nuclear Information System (INIS)

    Hagberg, D.

    2007-01-01

    Complete text of publication follows: Simulation of the universal ions in water solution is a standardized tool commonly used today. The route to simulation of actinide ions is normally tough because the evaluation of the simulation parameters are normally not given empirically and standard Hartree-Fock calculations are not accurate enough. We use multiconfigurational quantum chemical calculations when deriving the parameters for actinide ion-water potential [1]. The parameters are then simulated using classical molecular dynamics. A case study of the Cm 3+ ion will be presented on the poster. Results from the simulations will be also be discussed, e.g. the radial distribution functions and the coordination number. [1] D. Hagberg, G. Karlstrom, B.O. Roos and L. Gagliardi The coordination of uranyl in water: a combined quantum chemical and molecular simulation study J. Am. Chem. Soc. 127, 14250-14256 (2005)

  14. One dimensional coordination polymers: Synthesis, crystal structures and spectroscopic properties

    Science.gov (United States)

    Karaağaç, Dursun; Kürkçüoğlu, Güneş Süheyla; Şenyel, Mustafa; Şahin, Onur

    2016-11-01

    Two new one dimensional (1D) cyanide complexes, namely [M(4-aepy)2(H2O)2][Pt(CN)4], (4-aepy = 4-(2-aminoethyl)pyridine M = Cu(II) (1) or Zn(II) (2)), have been synthesized and characterized by vibrational (FT-IR and Raman) spectroscopy, single crystal X-ray diffraction, thermal and elemental analyses techniques. The crystallographic analyses reveal that 1 and 2 are isomorphous and isostructural, and crystallize in the monoclinic system and C2 space group. The Pt(II) ions are coordinated by four cyanide-carbon atoms in the square-planar geometry and the [Pt(CN)4]2- ions act as a counter ion. The M(II) ions display an N4O2 coordination sphere with a distorted octahedral geometry, the nitrogen donors belonging to four molecules of the organic 4-aepy that act as unidentate ligands and two oxygen atoms from aqua ligands. The crystal structures of 1 and 2 are similar each other and linked via intermolecular hydrogen bonding, Pt⋯π interactions to form 3D supramolecular network. Vibration assignments of all the observed bands are given and the spectral features also supported to the crystal structures of the complexes.

  15. Metal ion interaction with phosphorylated tyrosine analogue monolayers on gold.

    Science.gov (United States)

    Petoral, Rodrigo M; Björefors, Fredrik; Uvdal, Kajsa

    2006-11-23

    Phosphorylated tyrosine analogue molecules (pTyr-PT) were assembled onto gold substrates, and the resulting monolayers were used for metal ion interaction studies. The monolayers were characterized by X-ray photoelectron spectroscopy (XPS), infrared reflection-absorption spectroscopy (IRAS), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS), both prior to and after exposure to metal ions. XPS verified the elemental composition of the molecular adsorbate and the presence of metal ions coordinated to the phosphate groups. Both the angle-dependent XPS and IRAS results were consistent with the change in the structural orientation of the pTyr-PT monolayer upon exposure to metal ions. The differential capacitance of the monolayers upon coordination of the metal ions was evaluated using EIS. These metal ions were found to significantly change the capacitance of the pTyr-PT monolayers in contrast to the nonphosphorylated tyrosine analogue (TPT). CV results showed reduced electrochemical blocking capabilities of the phosphorylated analogue monolayer when exposed to metal ions, supporting the change in the structure of the monolayer observed by XPS and IRAS. The largest change in the structure and interfacial capacitance was observed for aluminum ions, compared to calcium, magnesium, and chromium ions. This type of monolayer shows an excellent capability to coordinate metal ions and has a high potential for use as sensing layers in biochip applications to monitor the presence of metal ions.

  16. Co2+ ion exchange with NaY

    International Nuclear Information System (INIS)

    Garcia, I.; Solache-Rios, M.; Bulbulian, S.; Bosch, P.

    1993-01-01

    Co 2+ ion exchange from aqueous cobalt chloride-sodium chloride solutions with NaY zeolite has been investigated. The effect of contact time on the sorption of Co 2+ by dehydrated Y zeolite at 150 degrees C is unusual. A fast sorption uptake is observed in which 1.73 mequiv/g of zeolite of Na + ions is replaced by cobalt ions, followed by a desorption process where the uptake decreases to 1.56 mequiv/g of zeolite. This behavior is explained by the location and coordination of cobalt in Y zeolite sites. It is suggested that the maximum uptake corresponds to cobalt ions being simultaneously in two sites; tetrahedrally coordinated in the sodalite units and octahedrally coordinated in the large cavities. It is also suggested that the desorption process is a consequence of a reaction between Cl - ions and the tetrahedral species. 20 refs., 4 figs

  17. Uranyl oxo activation and functionalization by metal cation coordination

    International Nuclear Information System (INIS)

    Arnold Polly, L.; Pecharman, A. F.; Hollis, E.; Parsons, S.; Love, J. B.; Yahia, A.; Maron, L.; Yahia, A.; Maron, L.

    2010-01-01

    The oxo groups in the uranyl ion [UO 2 ] 2+ - one of many oxo cations formed by metals from across the periodic table - are particularly inert, which explains the dominance of this ion in the laboratory and its persistence as an environmental contaminant. In contrast, transition metal oxo (M=O) compounds can be highly reactive and carry out difficult reactions such as the oxygenation of hydrocarbons. Here we show how the sequential addition of a lithium metal base to the uranyl ion constrained in a 'Pacman' environment results in lithium coordination to the U=O bonds and single-electron reduction. This reaction depends on the nature and stoichiometry of the lithium reagent and suggests that competing reduction and C-H bond activation reactions are occurring. (authors)

  18. Uranyl oxo activation and functionalization by metal cation coordination

    Energy Technology Data Exchange (ETDEWEB)

    Arnold Polly, L; Pecharman, A F; Hollis, E; Parsons, S; Love, J B [Univ Edinburgh, EaStCHEM Sch Chem, Edinburgh EH9 3JJ, Midlothian (United Kingdom); Yahia, A; Maron, L [Univ Toulouse 3, LPCNO, UMR 5215, INSA, CNRS, F-31077 Toulouse 4 (France); Yahia, A; Maron, L [Univ Montpellier 2, ENSCM, CNRS, ICSM, UMR 5257, CEA, Ctr Marcoule, F-30207 Bagnols Sur Ceze (France)

    2010-07-01

    The oxo groups in the uranyl ion [UO{sub 2}]{sup 2+} - one of many oxo cations formed by metals from across the periodic table - are particularly inert, which explains the dominance of this ion in the laboratory and its persistence as an environmental contaminant. In contrast, transition metal oxo (M=O) compounds can be highly reactive and carry out difficult reactions such as the oxygenation of hydrocarbons. Here we show how the sequential addition of a lithium metal base to the uranyl ion constrained in a 'Pacman' environment results in lithium coordination to the U=O bonds and single-electron reduction. This reaction depends on the nature and stoichiometry of the lithium reagent and suggests that competing reduction and C-H bond activation reactions are occurring. (authors)

  19. Ion implantation

    International Nuclear Information System (INIS)

    Johnson, E.

    1986-01-01

    It is the purpose of the present paper to give a review of surface alloy processing by ion implantation. However, rather than covering this vast subject as a whole, the survey is confined to a presentation of the microstructures that can be found in metal surfaces after ion implantation. The presentation is limited to alloys processed by ion implantation proper, that is to processes in which the alloy compositions are altered significantly by direct injection of the implanted ions. The review is introduced by a presentation of the processes taking place during development of the fundamental event in ion implantation - the collision cascade, followed by a summary of the various microstructures which can be formed after ion implantation into metals. This is compared with the variability of microstructures that can be achieved by rapid solidification processing. The microstructures are subsequently discussed in the light of the processes which, as the implantations proceed, take place during and immediately after formation of the individual collision cascades. These collision cascades define the volumes inside which individual ions are slowed down in the implanted targets. They are not only centres for vigorous agitation but also the sources for formation of excess concentrations of point defects, which will influence development of particular microstructures. A final section presents a selection of specific structures which have been observed in different alloy systems. (orig./GSCH)

  20. Charge-transfer spectra of tetravalent lanthanide ions in oxides

    NARCIS (Netherlands)

    Hoefdraad, H.E.

    The charge-transfer spectra of Ce4+, Pr4+ and Tb4+ in a number of oxides are reported. It is noted that the position of the first charge-transfer band is fixed for the metal ion in an oxygen coordination of VI, but varies in VIII coordination as a function of the host lattice. It is argued that this

  1. Ion accelerator based on plasma vircator

    CERN Document Server

    Onishchenko, I N

    2001-01-01

    The conception of a collective ion accelerator is proposed to be developed in the frameworks of STCU project 1569 (NSC KIPT, Ukraine) in coordination with the ISTC project 1629 (VNIEF, Russia). The main processes of acceleration are supposed to be consisted of two stages.First one is the plasma assistance virtual cathode (VC) in which plasma ions are accelerated in a potential well of VC. Along with ion acceleration the relaxation oscillations, caused by diminishing the potential well due to ion compensation, arise that provides the low-frequency (inverse ion transit time) temporal modulation of an intense relativistic electron beam (IREB) current. At the second stage temporally modulated IREB is injected into the spatially periodic magnetic field. The further ion acceleration is realized by the slow space charge wave that arises in IREB due to its simultaneous temporal and spatial modulation.

  2. Self-assembly of a constitutional dynamic library of Cu(II) coordination polygons and reversible sorting by crystallization.

    Science.gov (United States)

    Rancan, Marzio; Tessarolo, Jacopo; Zanonato, Pier Luigi; Seraglia, Roberta; Quici, Silvio; Armelao, Lidia

    2013-06-07

    A small coordination constitutional dynamic library (CDL) is self-assembled from Cu(2+) ions and the ortho bis-(3-acetylacetone)benzene ligand. Two coordination polygons, a rhomboid and a triangle, establish a dynamic equilibrium. Quantitative sorting of the rhomboidal polygon is reversibly obtained by crystallization. Thermodynamic and kinetic aspects ruling the CDL system have been elucidated.

  3. Lanthanum(III) and Lutetium(III) in Nitrate-Based Ionic Liquids: A Theoretical Study of Their Coordination Shell.

    Science.gov (United States)

    Bodo, Enrico

    2015-09-03

    By using ab initio molecular dynamics, we investigate the solvent shell structure of La(3+) and Lu(3+) ions immersed in two ionic liquids, ethylammonium nitrate (EAN) and its hydroxy derivative (2-ethanolammonium nitrate, HOEAN). We provide the first study of the coordination properties of these heavy metal ions in such a highly charged nonacqueous environment. We find, as expected, that the coordination in the liquid is mainly due to nitrate anions and that, due to the bidentate nature of the ligand, the complexation shell of the central ion has a nontrivial geometry and a coordination number in terms of nitrate molecules that apparently violates the decrease of ionic radii along the lanthanides series, since the smaller Lu(3+) ion seems to coordinate six nitrate molecules and the La(3+) ion only five. A closer inspection of the structural features obtained from our calculations shows, instead, that the first shell of oxygen atoms is more compact for Lu(3+) than for La(3+) and that the former coordinates 8 oxygen atoms while the latter 10 in accord with the typical lanthanide's trend along the series and that their first solvation shells have a slight irregular and complex geometrical pattern. When moving to the HOEAN solutions, we have found that the solvation of the central ion is possibly also due to the cation itself through the oxygen atom on the side chain. Also, in this liquid, the coordination numbers in terms of oxygen atoms in both solvents is 10 for La(3+) and 8 for Lu(3+).

  4. Isotopic Ligand Exchange of Some Hexa-Coordinated Inorganic Complexes with Halide Ions in Solution and in Crystals; Echanges Isotopiques de Coordinats de Complexes Inorganiques Hexacoordonnes Avec des Ions Halogenures en Solution et dans les Cristaux; Izotopnyj obmen ligand v nekotorykh geksakoordinirovannykh ne- organicheskikh kompleksakh s ionami galoidov v rastvore i kristallakh; Intercambio Isotopico de Ligandos de Complejos Inorganicos Hexacoordinados y Iones Haluro en Solucion y en Cristales

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, G. B. [Institut fuer Kernchemie der Universitaet Koeln, Cologne, Federal Republic of Germany (Germany)

    1965-10-15

    The kinetics of isotopic exchange reactions give information about the lability of complexes in solution and about the mechanisms of substitution. The exchange of {sup 82}Br-labelled [Rh(NH{sub 3}){sub 5}Br]{sup 2+} and [Ii(NH{sub 3}){sub 5}Br]{sup 2+} complexes with Br{sup -} ions, of trans-[Rh(en){sub 2}Cl{sub 2}]{sup +} and trans- [Co(en){sub 2} Cl{sub 2}]{sup +}]+ with Cl{sup -} ions, of trans- [Co(en){sub 2}Br{sub 2}]{sup +} with Br{sup -} and of [OSCl{sub 6}]{sup 2-} and [OsI{sub 6}]{sup 2-} with Cl{sup -} and I{sup -} ions, respectively, was investigated in acid solutions. The iridium pentamminebromo complex exchanges about 60 times slower than the corresponding rhodium pentamminebromo complex. The rate constant for the Rh- complex was found to be k = (1.03 {+-} 0,02) x 10{sup -2} min{sup -1} at 100 Degree-Sign C, for the Ir-complex k{sub 100 Degree-Sign C} = 1.7 x 10{sup -4} min{sup -1}. For both complexes the exchange rate R is first-order in the complex concentration; in acid solution R is nearly independent of the bromide and hydrogen concentration as well as of the ionic strength. This indicates that the exchange takes place by a dissociation mechanism. Activation energies of 24 and 23 kcal/ mole forthe Rh- and Ir-complex, respectively, were calculated. Rate constants of the {sup 36}Cl isotopic exchange between 60 and 100 Degree-Sign C were measured for the trans- [Rh(en){sub 2} Cl{sub 2}]{sup +} complex and an Arrhenius activation energy of 25 kcal/mole was determined. Here again the increase of the rate R is of first order in the complex concentration; but it is only slightly dependent on the hydrogen and chloride concentration. The exchange seems to occur by aquation. In methanolic HCl solution the exchange rate of this complex is immeasurably slow at 60 Degree-Sign C. The halide exchanges of trans-[Co(en){sub 2} Cl{sub 2}]{sup +} and trans [Co(en){sub 2} Br{sub 2}]{sup +} were measured in methanolic solutions between 30 and 60 Degree-Sign C. Further

  5. Federal interagency radiation policy coordination

    International Nuclear Information System (INIS)

    Young, A.L.

    1984-01-01

    The author discusses Federal interagency radiation policy coordination. The Committee on Interagency Radiation Research and Policy Coordination (CIRRPC) is explained as being dedicated to the success and forward motion of enhanced radiation research and policy coordination. Both CIRRPC and the Science Panel are staffed with Federal employees. Their expertise includes many and various radiation disciplines including cytogenetics, dosimetry, epidemiology, genetics, health physics, nuclear medicine, radiology, radiation carcinogenesis, and risk assessment. Ten scientific and technical issues in their preliminary order are presented: radioepidemiological tables; de minimis radiation levels; radon progeny health effects; occupational exposure registry; measurement, recording, and control of radiation; food irradiation; use of radiation in science, industry, and medicine; nonionizing radiation; and remedial actions

  6. An argument for VP coordination: scene-setting coordination and ...

    African Journals Online (AJOL)

    This article demonstrates the properties of this curious construction type and proposes the first analysis to date. It is argued that this is an instance of VP coordination and that this configuration allows the possibility of high merger of direct objects in a constrained fashion. Southern African Linguistics and Applied Language ...

  7. Evaluating the Relational Coordination instrument

    DEFF Research Database (Denmark)

    Edwards, Kasper; Lundstrøm, Sanne Lykke

    2014-01-01

    consistency, interrater agreement and reliability, structural validity, content validity. However as relational coordination is being used as a diagnostics tool it is important to examine further if the instrument can measure changes. Indeed we need to know how precise and sensitive the instrument is when....... We distinguish between statistical and clinical significance. Statistical significance is calculated using T-test. Clinical significance is the minimal amount of change in relational coordination score that is not considered noise. Sensitivity of the instrument i.e. the ability of the instrument...

  8. Cation coordination in oxychloride glasses

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J A [Energy Technology Division, Argonne National Laboratory, Argonne, IL (United States); Holland, D [Physics Department, Warwick University, Coventry (United Kingdom); Bland, J [Physics Department, University of Liverpool, PO Box 147, Liverpool (United Kingdom); Johnson, C E [Physics Department, Northern Illinois University, DeKalb, IL (United States); Thomas, M F [Physics Department, University of Liverpool, PO Box 147, Liverpool (United Kingdom)

    2003-02-19

    Glasses containing mixtures of cations and anions of nominal compositions [Sb{sub 2}O{sub 3}]{sub x} - [ZnCl{sub 2}]{sub 1-x} where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Moessbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated. The main contributing species are of the form [Sb(OSb){sub 2}(OZn)] and [Zn(ClZn){sub 2}(OSb){sub 2}].

  9. Cation coordination in oxychloride glasses

    International Nuclear Information System (INIS)

    Johnson, J A; Holland, D; Bland, J; Johnson, C E; Thomas, M F

    2003-01-01

    Glasses containing mixtures of cations and anions of nominal compositions [Sb 2 O 3 ] x - [ZnCl 2 ] 1-x where x = 0.25, 0.50, 0.75, and 1.00, have been studied by means of neutron diffraction and Raman and Moessbauer spectroscopy. There is preferential bonding within the system with the absence of Sb-Cl bonds. Antimony is found to be threefold coordinated to oxygen, and zinc fourfold coordinated. The main contributing species are of the form [Sb(OSb) 2 (OZn)] and [Zn(ClZn) 2 (OSb) 2

  10. Bare coordination: the semantic shift

    OpenAIRE

    de Swart, Henriette; Le Bruyn, Bert

    2014-01-01

    This paper develops an analysis of the syntax-semantics interface of two types of split coordination structures. In the first type, two bare singular count nouns appear as arguments in a coordinated structure, as in bride and groom were happy. We call this the N&N construction. In the second type, the determiner shows agreement with the first conjunct, while the second conjunct is bare, as in the Spanish example el hornero y hornera cobraban en panes (‘thesg.m bakersg.m and bakersg.f werepl p...

  11. Amorphous infinite coordination polymer microparticles: a new class of selective hydrogen storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, You-Moon; Heo, Jungseok; Mirkin, Chad A [Department of Chemistry, International Institute for Nanotechnology, Northwestern University, 2145 Sheridan Road, Evanston, IL (United States); Armatas, Gerasimos S [Department of Chemistry, Northwestern University, Evanston, IL (United States); Kanatzidis, Mercouri G [Materials Science Division, Argonne National Laboratory, Argonne, IL (United States)

    2008-06-04

    A new class of micrometer-sized amorphous infinite coordination particles is selectively prepared from the coordination chemistry of a metallo-salen building block and Zn{sup 2+} ions. The particles show moderately high H{sub 2} uptake and almost no N{sub 2} adsorption, even though they are amorphous and do not have the well-defined channels typically used to explain such selectivity in metal-organic framework systems. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  12. 47 CFR 95.1113 - Frequency coordinator.

    Science.gov (United States)

    2010-10-01

    ... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review and...

  13. 29 CFR 42.8 - Coordination plan.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 1 2010-07-01 2010-07-01 true Coordination plan. 42.8 Section 42.8 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.8 Coordination plan. (a) Based upon, among other things, the... coordination plan concerning farm labor-related responsibilities of the Department, including migrant housing...

  14. Service Coordination Policies and Models: National Status.

    Science.gov (United States)

    Harbin, Gloria L.; Bruder, M.; Mazzarella, C.; Gabbard, G.; Reynolds, C.

    This report discusses the findings of a study that investigated state coordination of early intervention services for infants, toddlers, and young children with disabilities. State Part C coordinators participated in a survey that sought their perceptions of values under girding service coordination, approach to service coordination, policies,…

  15. Useful forms of the Hamiltonian for ion-optical systems

    International Nuclear Information System (INIS)

    Davies, W.G.

    1991-04-01

    The symbiosis of differential algebra and the Lie-algebraic formulation of optics provides a set of very powerful tools for analyzing and understanding the orbit dynamics of complex accelerators up to very high orders. In order to use these tools effectively it is usually necessary to express the Hamiltonian in the appropriate coordinate system. In this report, the relativistic Hamiltonian is derived in curvilinear (the fundamental coordinate system for ion-optics), Cartesian and polar coordinates, in forms suitable for solving problems in ion optics and accelerator physics both with and without the help of differential algebra

  16. Redox ratio and optical absorption of polyvalent ions in industrial ...

    Indian Academy of Sciences (India)

    WINTEC

    Co2+ ions are not affected by their concentration but de- pend directly on glass ... This means that the coordination of these ions, octahedral sites for Mn3+, Cu2+ and .... Duffy J A and Ingram M D 2002 C.R. Chimie 5 797. Jones A R, Winter R, ...

  17. U.S. CWMD Coordination

    Science.gov (United States)

    2012-12-11

    coordination. For example, it conducted joint vehicle inspection training for Pakistani Customs and Border Guard personnel at a US- Mexico border...biological material, including such hazards as: anthrax, botulism, cholera , Ebola virus hemorrhagic fever, E. coli, Plague, and smallpox 79

  18. Collective coordinates on symplectic manifolds

    International Nuclear Information System (INIS)

    Razumov, A.V.; Taranov, A.Yu.

    1981-01-01

    For an arbitrary Lie group of canonical transformations on a symplectic manifold collective coordinates are introduced. They describe a motion of the dynamical system as a whole under the group transformations. Some properties of Lie group of canonical transformations are considered [ru

  19. Motivic amplitudes and cluster coordinates

    International Nuclear Information System (INIS)

    Golden, J.K.; Goncharov, A.B.; Spradlin, M.; Vergu, C.; Volovich, A.

    2014-01-01

    In this paper we study motivic amplitudes — objects which contain all of the essential mathematical content of scattering amplitudes in planar SYM theory in a completely canonical way, free from the ambiguities inherent in any attempt to choose particular functional representatives. We find that the cluster structure on the kinematic configuration space Conf n (ℙ 3 ) underlies the structure of motivic amplitudes. Specifically, we compute explicitly the coproduct of the two-loop seven-particle MHV motivic amplitude A 7,2 M and find that like the previously known six-particle amplitude, it depends only on certain preferred coordinates known in the mathematics literature as cluster X-coordinates on Conf n (ℙ 3 ). We also find intriguing relations between motivic amplitudes and the geometry of generalized associahedrons, to which cluster coordinates have a natural combinatoric connection. For example, the obstruction to A 7,2 M being expressible in terms of classical polylogarithms is most naturally represented by certain quadrilateral faces of the appropriate associahedron. We also find and prove the first known functional equation for the trilogarithm in which all 40 arguments are cluster X-coordinates of a single algebra. In this respect it is similar to Abel’s 5-term dilogarithm identity

  20. Co-ordinated Classroom Lectures.

    Science.gov (United States)

    Harmon, Darell Boyd

    From a series of lectures, a selection of eight are oriented principally toward the biologically developing child, and the physiological operations in visual process. The numbered lectures are--(1) The Coordinated Classroom, its Philosophy and Principles, (2) An Outline of a Biological Point of View, (3) The Evolution of Structure--despite man's…

  1. Henry Taube and Coordination Chemistry

    Science.gov (United States)

    dropdown arrow Site Map A-Z Index Menu Synopsis Henry Taube and Coordination Chemistry Resources with Professor of Chemistry, Emeritus, at Stanford University, received the 1983 Nobel Prize in Chemistry " there from 1940-41. "I became deeply interested in chemistry soon after I came to Berkeley,"

  2. Possibility of extending space-time coordinates

    International Nuclear Information System (INIS)

    Wang Yongcheng.

    1993-11-01

    It has been shown that one coordinate system can describe a whole space-time region except some supersurfaces on which there are coordinate singularities. The conditions of extending a coordinate from real field to complex field are studied. It has been shown that many-valued coordinate transformations may help us to extend space-time regions and many-valued metric functions may make one coordinate region to describe more than one space-time regions. (author). 11 refs

  3. A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates

    International Nuclear Information System (INIS)

    Shiga, Motoyuki; Fujisaki, Hiroshi

    2012-01-01

    We propose a generalization of the intrinsic reaction coordinate (IRC) for quantum many-body systems described in terms of the mass-weighted ring polymer centroids in the imaginary-time path integral theory. This novel kind of reaction coordinate, which may be called the ''centroid IRC,'' corresponds to the minimum free energy path connecting reactant and product states with a least amount of reversible work applied to the center of masses of the quantum nuclei, i.e., the centroids. We provide a numerical procedure to obtain the centroid IRC based on first principles by combining ab initio path integral simulation with the string method. This approach is applied to NH 3 molecule and N 2 H 5 - ion as well as their deuterated isotopomers to study the importance of nuclear quantum effects in the intramolecular and intermolecular proton transfer reactions. We find that, in the intramolecular proton transfer (inversion) of NH 3 , the free energy barrier for the centroid variables decreases with an amount of about 20% compared to the classical one at the room temperature. In the intermolecular proton transfer of N 2 H 5 - , the centroid IRC is largely deviated from the ''classical'' IRC, and the free energy barrier is reduced by the quantum effects even more drastically.

  4. A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

    International Nuclear Information System (INIS)

    Li, Xiu-Hua; Zhang, Qi; Hu, Ping

    2014-01-01

    A multifunctional homochiral coordination polymer, [Co(H 2 O)(BDC)(4,4′-BPY)]∙3H 2 O (1) (H 2 BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions

  5. On coordinates and coordinate transformation in Einstein's theory of gravitation

    International Nuclear Information System (INIS)

    Chou Peiyuan

    1983-01-01

    This investigation is a further exposition of the significance of coordinates and their transformation in Einstein's theory of gravitation. The author considers the static axisymmetric field as an example, starts with its metric in the cylindrical coordinates, transforms this metric and the field equations into the Weyl-Levi-Civita system of coordinates, and supplements them with the harmonic condition. Both of the field equations and the harmonic condition are then transformed back to the original Cartesian system. Solutions for the static fields of an infinite plane with uniform surface density and an infinite rod with uniform linear density of matter, and of a body with spherical symmetry, are obtained again to show the necessity of the harmonic condition in their solutions. The fact that under the harmonic condition the solutions of the field equations for these problems contain their corresponding Newtonian potentials as approximations, is a strong support to the argument that the harmonic condition should be a physical supplement to Einstein's theory of gravitation. (Auth.)

  6. Synthesis and characterization of templated ion exchange resins for the selective complexation of actinide ions. 1998 annual progress report

    International Nuclear Information System (INIS)

    Murray, G.M.; Uy, O.M.

    1998-01-01

    'The purpose of this research is to develop polymeric extractants for the selective complexation of uranyl ions (and subsequently other actinyl and actinide ions) from aqueous solutions (lakes, streams, waste tanks and body fluids). Selectivity for a specific actinide ion is obtained by providing polymers with cavities lined with complexing ligands so arranged as to match the charge, coordination number, coordination geometry, and size of the actinide metal ion. These cavity-containing polymers will be produced using a specific actinide ion (or surrogate) as a template around which monomeric complexing ligands will be polymerized. The polymers will provide useful sequestering agents for removing actinide ions from wastes and will form the basis for a variety of analytical techniques for actinide determinations.'

  7. Multicavity SCRF calculation of ion hydration energies

    International Nuclear Information System (INIS)

    Diercksen, B.H.F.; Karelson, M.; Tamm, T.

    1994-01-01

    The hydration energies of the proton, hydroxyl ion, and several inorganic ions were calculated using the multicavity self-consistent reaction field (MCa SCRF) method developed for the quantum-mechanical modeling of rotationally or flexible systems in dielectric media. The ionic complexes H 3 O + (H2O) 4 , OH - (H2O) 4 , NH + 4 (H2O) 4 , and Hal - (H2O) 4 , where Hal = F, Cl, or Br, have been studied. Each complex was divided between five spheres, corresponding to the central ion and four water molecules in their first coordination sphere, respectively. Each cavity was surrounded by a polarizable medium with the dielectric permittivity of water at room temperature (80). The ionic hydration energies of ions were divided into specific and nonspecific parts. After accounting for the cavity-formation energy using scaled particle theory, good agreement between the total calculated and experimental hydration energies was obtained for all ions studied

  8. TURNAROUND COORDINATOR. YES OR NOT?

    Directory of Open Access Journals (Sweden)

    Martin HROMÁDKA

    2013-12-01

    Full Text Available Both low cost carriers ‘fresh wind’ and liberalisation of ground handling market makes airlines to be cost-wise in every single field. Thus, ground handling contract are cutting down in terms of their costs. Handling companies struggle with pressure being put from the market environment, they rush 25 minutes turnaround with couple of people. This can be potentially dangerous from the safety point of view. One of possible solutions seems to be introducing turnaround coordinator, person who would supervise the ramp handling procedures. This paper discusses the role of turnaround coordinator within the aircraft turnaround process. Duties and responsibilities of this person are described. However, not every airport is staffing this position. The survey shows that smaller airports pay much more attention to this issue than the big ones.

  9. A coordination language for databases

    DEFF Research Database (Denmark)

    Li, Ximeng; Wu, Xi; Lluch Lafuente, Alberto

    2017-01-01

    We present a coordination language for the modeling of distributed database applications. The language, baptized Klaim-DB, borrows the concepts of localities and nets of the coordination language Klaim but re-incarnates the tuple spaces of Klaim as databases. It provides high-level abstractions...... and primitives for the access and manipulation of structured data, with integrity and atomicity considerations. We present the formal semantics of Klaim-DB and develop a type system that avoids potential runtime errors such as certain evaluation errors and mismatches of data format in tables, which are monitored...... in the semantics. The use of the language is illustrated in a scenario where the sales from different branches of a chain of department stores are aggregated from their local databases. Raising the abstraction level and encapsulating integrity checks in the language primitives have benefited the modeling task...

  10. Coordinating talk and practical action

    DEFF Research Database (Denmark)

    Oshima, Sae; Streeck, Jürgen

    2015-01-01

    This paper investigates how talk and practical action are coordinated during one type of activity involving professional communication: the service-assessment sequence in hair salons. During this activity, a practical inspection of the haircut must be coupled with sequentially produced verbal acts....... Our analysis of four examples reveals that there is no fixed relationship between the organization of talk and practical action. Instead, people manipulate this relationship on a moment-by-moment basis, often coordinating the two into a single, integral package, or relying on one stream of action...... to achieve progress in the other. These findings imply that some multimodal activities that are brought into alignment may have their own, separate and independent procedural logic and sequencing patterns and that these can be brought into play to create or deal with constraints in each other....

  11. Improving Channel Coordination Through Franchising

    OpenAIRE

    Rajiv Lal

    1990-01-01

    In this paper, we explore the role of franchising arrangements in improving coordination between channel members. In particular we focus on two elements of the franchising contract, namely, the royalty structure and the monitoring technology. We begin with a simple analysis where a manufacturer distributes its product through a retailer and the retail demand is affected by the retail price and the service provided by the retailer. In this context we show that neither royalty payments nor moni...

  12. Coordination in the European Union

    OpenAIRE

    Martin Feldstein

    2013-01-01

    This paper examines the sources of current conflict within the EU and the EMU. The topics discussed include the recent ECB policy of bond buying (the OMT policy), the attempts to advance the "European Project" of stronger political union (the fiscal compact, the banking union, and the proposals for budget supervision). Contrary to the claims of the European leadership, the progress that has been made has been by individual countries and not by coordinated action. The special problems of Franc...

  13. Coordination strategies of crew management

    Science.gov (United States)

    Conley, Sharon; Cano, Yvonne; Bryant, Don

    1991-01-01

    An exploratory study that describes and contrasts two three-person flight crews performing in a B-727 simulator is presented. This study specifically attempts to delineate crew communication patterns accounting for measured differences in performance across routine and nonroutine flight patterns. The communication patterns in the two crews evaluated indicated different modes of coordination, i.e., standardization in the less effective crew and planning/mutual adjustment in the more effective crew.

  14. Monetary and Fiscal Policy Coordination

    OpenAIRE

    Hanif, Muhammad N.; Arby, Muhammad Farooq

    2003-01-01

    Macroeconomic policies are meant to achieve non-inflationary, stable growth. There are two major groups of policy instruments to achieve the purpose; one is related to monetary conditions and the other to fiscal conditions. Monetary instruments are employed by the central bank and fiscal instruments are employed by ministry of finance. The objectives and implications of policy measures taken by the two institutions often conflict with each other and thus call for policy coordination for effec...

  15. Inorganic, coordination and organometallic compounds

    International Nuclear Information System (INIS)

    Jursik, F.

    1978-01-01

    Separation of cations and anions of inorganic, coordination and metalloorganic compounds by the method of liquid column chromatography is considered. Common scheme of multicomponent cation mixture is suggesteed. Separation conditions, adsrbents, eluents, pH value solution concenstration, elution rate are also suggested. Separation of rare earth elements Cs, Be, Cd, Te, Th, U, Mo, Re, V, Ru, Zr, In compounds is considered as an example of liquid column chromatography application. Data on column chromatography application are summarized in a table

  16. The coordination chemistry of macrocyclic ligands II

    International Nuclear Information System (INIS)

    Klimes, J.; Knoechel, A.; Rudolph, G.

    1977-01-01

    Compounds of UO 2 (NO 3 ) 2 .6H 2 0 or Th(NO 3 ) 4 .5H 2 0 with five selected crown ethers were prepared according to the method described in Knoeckel et al., Inorg.Nucl.Chem.Lett.; 11:787 (1975). The products were characterized by chemical analysis, NMR, IR and Raman spectroscopy. The results are analyzed and discussed. It is shown that the NO 3 groups remain free after combination, and the H 2 0 groups form the bonds to the polyether. It is concluded that the polyether molecule is attached to two units of UO 2 (NO 3 ) 2 .2H 2 0 (or Th(NO 3 ) 4 .3H 2 0), one each side of the polyether. This would be contrary to the assumption in previous publications, that the U0 2 2+ and Th 4+ ions were coordinated inside the macrocyclic ligand structure. The present hypothesis, however, agrees with a recently published x-ray structure for the uranium compound. In view of the new proposed structure it is suggested that the compounds should be regarded as adducts rather than complexes. (U.K.)

  17. Rare earth niobate coordination polymers

    Science.gov (United States)

    Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E. S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May

    2018-03-01

    Rare-earth (RE) coordination polymers are infinitely tailorable to yield luminescent materials for various applications. Here we described the synthesis of a heterometallic rare-earth coordination compound ((CH3)2SO)3(RE)NbO(C2O4)3((CH3)2SO) = dimethylsulfoxide, DMSO, (C2O2= oxalate), (RE=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb). The structure was obtained from single crystal X-ray diffraction of the La analogue. The Nb˭O and DMSO terminal-bonding character guides assembly of an open framework structure with noncentrosymmetric RE-coordination geometry, and large spacing between the RE centers. A second structure was observed by PXRD for the smaller rare earths (Dy, Ho, Er, Yb); this structure has not yet been determined. The materials were further characterized using FTIR, and photoluminescence measurements. Characteristic excitation and emission transitions were observed for RE = Nd, Sm, Eu, and Tb. Quantum yield (QY) measurements were performed by exciting Eu and Tb analoges at 394 nm (QY 66%) and 464 nm (QY 71%) for Eu; and 370 nm (QY=40%) for Tb. We attribute the high QY and bright luminescence to two main structure-function properties of the system; namely the absence of water in the structure, and absence of concentration quenching.

  18. Ion channeling

    International Nuclear Information System (INIS)

    Erramli, H.; Blondiaux, G.

    1994-01-01

    Channeling phenomenon was predicted, many years ago, by stark. The first channeling experiments were performed in 1963 by Davies and his coworkers. Parallely Robinson and Oen have investigated this process by simulating trajectories of ions in monocrystals. This technique has been combined with many methods like Rutherford Backscattering Spectrometry (R.B.S.), Particles Induced X-rays Emission (P.I.X.E) and online Nuclear Reaction (N.R.A.) to localize trace elements in the crystal or to determine crystalline quality. To use channeling for material characterization we need data about the stopping power of the incident particle in the channeled direction. The ratios of channeled to random stopping powers of silicon for irradiation in the direction have been investigated and compared to the available theoretical results. We describe few applications of ion channeling in the field of materials characterization. Special attention is given to ion channeling combined with Charged Particle Activation Analysis (C.P.A.A.) for studying the behaviour of oxygen atoms in Czochralski silicon lattices under the influence of internal gettering and in different gaseous atmospheres. Association between ion channeling and C.P.A.A was also utilised for studying the influence of the growing conditions on concentration and position of carbon atoms at trace levels in the MOVPE Ga sub (1-x) Al sub x lattice. 6 figs., 1 tab., 32 refs. (author)

  19. Ion source

    International Nuclear Information System (INIS)

    1977-01-01

    The specifications of a set of point-shape electrodes of non-corrodable material that can hold a film of liquid material of equal thickness is described. Contained in a jacket, this set forms an ion source. The electrode is made of tungsten with a glassy carbon layer for insulation and an outer layer of aluminium-oxide ceramic material

  20. Coordination compounds of metals with imidazoles and benzimidazoles

    International Nuclear Information System (INIS)

    Novikova, G.A.; Molodkin, A.K.; Kukalenko, S.S.

    1988-01-01

    Methods of preparation, composition and structure of UO 2 2+ , Th 4+ , Mo 3+ , Cd 2+ , Ln 3+ metal ion complexes with imidazoles and benzimidazoles are considered in reviews of native and foreign literature of up to 1985. Complexes are customarily prepared by direct interaction of ligands with inorganic salts in different organic solvents. Complex composition is defined by the nature of complexing metal and inorganic salt anion, ligand volume and basicity, as well as solvent characteristics. Effect of R substituent in imidazole and benzimidazole side chain on composition of coordination compounds is considered

  1. Ion-ion and ion-solvent interactions in lithium imidazolide electrolytes studied by Raman spectroscopy and DFT models.

    Science.gov (United States)

    Scheers, Johan; Niedzicki, Leszek; Zukowska, Grażyna Z; Johansson, Patrik; Wieczorek, Władysław; Jacobsson, Per

    2011-06-21

    Molecular level interactions are of crucial importance for the transport properties and overall performance of ion conducting electrolytes. In this work we explore ion-ion and ion-solvent interactions in liquid and solid polymer electrolytes of lithium 4,5-dicyano-(2-trifluoromethyl)imidazolide (LiTDI)-a promising salt for lithium battery applications-using Raman spectroscopy and density functional theory calculations. High concentrations of ion associates are found in LiTDI:acetonitrile electrolytes, the vibrational signatures of which are transferable to PEO-based LiTDI electrolytes. The origins of the spectroscopic changes are interpreted by comparing experimental spectra with simulated Raman spectra of model structures. Simple ion pair models in vacuum identify the imidazole nitrogen atom of the TDI anion to be the most important coordination site for Li(+), however, including implicit or explicit solvent effects lead to qualitative changes in the coordination geometry and improved correlation of experimental and simulated Raman spectra. To model larger aggregates, solvent effects are found to be crucial, and we finally suggest possible triplet and dimer ionic structures in the investigated electrolytes. In addition, the effects of introducing water into the electrolytes-via a hydrate form of LiTDI-are discussed.

  2. Coordinate-sensitive charged particle detector for spectroscopy

    Directory of Open Access Journals (Sweden)

    Sidorenko V. P.

    2016-10-01

    Full Text Available The authors have designed, manufactured and tested a coordinate-sensitive detector for charged particle spectroscopy. The detector can be used in the devices for the elemental analysis of materials, providing simultaneous analysis of all the elemental composition with high sensitivity and precision. The designed device is based on an integrated circuit (IC and a microchannel plate (MCP electron multiplier. The IC is mounted on a ceramic substrate. Ions fall on the MCP mounted above the IC. Giving rise to a pulse which typically exceeds 106 electrons, each ion falls on the detector electrodes and these pulses are counted. In this research, a two stage stack of MCPs (Hamamatsu was used. The MCPs have a channel diameter of 12 μm on a 15 μm pitch. The results of tests carried out in a mass spectrometer are presented. The designed detector is small, light, and low-power.

  3. Multisites Coordination in Shared Multicast Trees

    National Research Council Canada - National Science Library

    Dommel, H-P; Garcia-Luna-Aceves, J. J

    1999-01-01

    .... The protocol supports Internet-wide coordination for large and highly interactive groupwork, relying on transmission of coordination directives between group members across a shared end-to-end multicast tree...

  4. International Coordination of Lunar Polar Volatiles Exploration

    Science.gov (United States)

    Gruener, J. E.; Suzuki, N. H.; Carpenter, J. D.

    2015-10-01

    The International Space Exploration Coordination Group (ISECG) has established a study team to coordinate the worldwide interest in lunar polar volatiles, and in particular water ice, in an effort to stimulate cooperation and collaboration.

  5. The Imperative for Improved Global Economic Coordination

    OpenAIRE

    Stiglitz, Joseph E.

    2009-01-01

    While global coordination is absolutely essential, success in achieving it may prove difficult because economic globalization has outpaced political globalization. If we are to succeed, we will have to manage coordination better than we have in the past.

  6. Dreams: a framework for distributed synchronous coordination

    NARCIS (Netherlands)

    Proença, J.; Clarke, D.; Vink, de E.P.; Arbab, F.

    2012-01-01

    Synchronous coordination systems, such as Reo, exchange data via indivisible actions, while distributed systems are typically asynchronous and assume that messages can be delayed or get lost. To combine these seemingly contradictory notions, we introduce the Dreams framework. Coordination patterns

  7. Reusable coordinator modules for massively concurrent applications

    NARCIS (Netherlands)

    F. Arbab (Farhad); C.L. Blom (Kees); F.J. Burger (Freek); C.T.H. Everaars (Kees)

    1998-01-01

    htmlabstractIsolating computation and communication concerns into separate pure computation and pure coordination modules enhances modularity, understandability and reusability of parallel and/or distributed software. MANIFOLD is a pure coordination language that encourages this separation. We use

  8. Coordinator, Evaluation Unit | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Job Summary The Evaluation Unit Coordinator is expected to: ... with Centre policies and procedures and disseminates information to Unit staff on changes ... Coordinates the planning and organization of technical and administrative meetings ...

  9. Process Coordination & Policy Officer | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Such liaison aims to ensure that the operational aspects and requirements are taken into account. ... Business Process Coordination and Change Management ... plan and coordinating the update of the Division's work plan by all managers; ...

  10. Modeling Coordination Problems in a Music Ensemble

    DEFF Research Database (Denmark)

    Frimodt-Møller, Søren R.

    2008-01-01

    This paper considers in general terms, how musicians are able to coordinate through rational choices in a situation of (temporary) doubt in an ensemble performance. A fictitious example involving a 5-bar development in an unknown piece of music is analyzed in terms of epistemic logic, more...... to coordinate. Such coordination can be described in terms of Michael Bacharach's theory of variable frames as an aid to solve game theoretic coordination problems....

  11. Parenting Coordinators' Practices Recommendations: A Qualitative Study

    OpenAIRE

    Hirsch, Barbara Phyllis

    2016-01-01

    This qualitative study used a phenomenological approach to understand the experiences of seven parenting coordinators in using parenting coordination practices that they have found to be effective and would recommend to other parenting coordinators to achieve the following goals: educating parents, increasing the quality of parenting and co-parenting, managing conflict, and involving children and other family members in the process of parenting coordination. Data were collected with semi-str...

  12. Ion-ion collisions and ion storage rings

    International Nuclear Information System (INIS)

    Mowat, J.R.

    1988-01-01

    Improved understanding of fundamental ion-ion interactions is expected to emerge from research carried out with ion storage rings. In this short survey the significant advantages and unique features that make stored ions useful targets for collision experiments are reviewed and discussed. It is pointed out that improvements to existing ion-ion experiments, as well as qualitatively new experiments, should occur over the next few years as ion storage rings become available for atomic physics. Some new experiments are suggested which are difficult if not impossible with present-day technology, but which seem feasible at storage rings facilities. (orig.)

  13. A Dynamic Coordination Mechanism Using Adjustable Autonomy

    NARCIS (Netherlands)

    Neef, R.M.; Vecht, B. van der; Dignum, F.; Meyer, J.J.C.

    2008-01-01

    Agents in an organization need to coordinate their actions in order to reach the organizational goals. This research describes the relation between types of coordination and the autonomy of actors. In an experimental setting we show that there is not one best way to coordinate in all situations. The

  14. A Dynamic Coordination Mechanism Using Adjustable Autonomy

    NARCIS (Netherlands)

    Vecht, B. van der; Dignum, F.; Meyer, J.J.C.; Neef, R.M.

    2007-01-01

    Agents in an organization need to coordinate their actions in order to reach the organizational goals. This research describes the relation between types of coordination and the autonomy of actors. In an experimental setting we show that there is not one best way to coordinate in all situations. The

  15. 45 CFR 1310.23 - Coordinated transportation.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Coordinated transportation. 1310.23 Section 1310... START PROGRAM HEAD START TRANSPORTATION Special Requirements § 1310.23 Coordinated transportation. (a) Each agency providing transportation services must make reasonable efforts to coordinate transportation...

  16. The unified coordination language UnCL.

    NARCIS (Netherlands)

    F.S. de Boer (Frank); J.V. Guillen Scholten (Juan); J.F. Jacob (Joost)

    2005-01-01

    textabstractIn this paper we show how to use a (subset) of UML as an Unified Coordination Language (UnCL) that is based on a separation of concerns between coordination and computation. As such UnCL provides a general language for the coordination of, in particular, object-oriented applications. The

  17. A Note on the Dipole Coordinates

    OpenAIRE

    Kageyama, Akira; Sugiyama, Tooru; Watanabe, Kunihiko; Sato, Tetsuya

    2004-01-01

    A couple of orthogonal coordinates for dipole geometry are proposed for numerical simulations of plasma geophysics in the Earth's dipole magnetic field. These coordinates have proper metric profiles along field lines in contrast to the standard dipole coordinate system that is commonly used in analytical studies for dipole geometry.

  18. Optimization of strong and weak coordinates

    NARCIS (Netherlands)

    Swart, M.; Bickelhaupt, F.M.

    2006-01-01

    We present a new scheme for the geometry optimization of equilibrium and transition state structures that can be used for both strong and weak coordinates. We use a screening function that depends on atom-pair distances to differentiate strong coordinates from weak coordinates. This differentiation

  19. 47 CFR 27.57 - International coordination.

    Science.gov (United States)

    2010-10-01

    ... COMMUNICATIONS SERVICES Technical Standards § 27.57 International coordination. (a) WCS operations in the border areas shall be subject to coordination with those countries and provide protection to non-U.S... 47 Telecommunication 2 2010-10-01 2010-10-01 false International coordination. 27.57 Section 27.57...

  20. 40 CFR 109.6 - Coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Coordination. 109.6 Section 109.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA FOR STATE, LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination...

  1. 49 CFR 214.325 - Train coordination.

    Science.gov (United States)

    2010-10-01

    ..., DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination. Working limits established by a roadway worker through the use of train coordination shall comply with the... 49 Transportation 4 2010-10-01 2010-10-01 false Train coordination. 214.325 Section 214.325...

  2. Computation at a coordinate singularity

    Science.gov (United States)

    Prusa, Joseph M.

    2018-05-01

    Coordinate singularities are sometimes encountered in computational problems. An important example involves global atmospheric models used for climate and weather prediction. Classical spherical coordinates can be used to parameterize the manifold - that is, generate a grid for the computational spherical shell domain. This particular parameterization offers significant benefits such as orthogonality and exact representation of curvature and connection (Christoffel) coefficients. But it also exhibits two polar singularities and at or near these points typical continuity/integral constraints on dependent fields and their derivatives are generally inadequate and lead to poor model performance and erroneous results. Other parameterizations have been developed that eliminate polar singularities, but problems of weaker singularities and enhanced grid noise compared to spherical coordinates (away from the poles) persist. In this study reparameterization invariance of geometric objects (scalars, vectors and the forms generated by their covariant derivatives) is utilized to generate asymptotic forms for dependent fields of interest valid in the neighborhood of a pole. The central concept is that such objects cannot be altered by the metric structure of a parameterization. The new boundary conditions enforce symmetries that are required for transformations of geometric objects. They are implemented in an implicit polar filter of a structured grid, nonhydrostatic global atmospheric model that is simulating idealized Held-Suarez flows. A series of test simulations using different configurations of the asymptotic boundary conditions are made, along with control simulations that use the default model numerics with no absorber, at three different grid sizes. Typically the test simulations are ∼ 20% faster in wall clock time than the control-resulting from a decrease in noise at the poles in all cases. In the control simulations adverse numerical effects from the polar

  3. Na Cl ion pair association in water-DMSO mixtures: Effect of ion pair ...

    Indian Academy of Sciences (India)

    The 12-6-1 potential model predicts running coordination numbers closest to experimental data. Keywords. ... value of interaction energy minimum between the Na. + and Cl. − ..... ion pair mostly remains as a CIP, a fair amount of SAIP is also ...

  4. Application coordination in pervasive systems

    CERN Document Server

    Majuntke, Verena Elisabeth

    2013-01-01

    Pervasive applications are designed to support users in their daily life. For this purpose, applications interact with their environment, i.e. their context. They are able to adapt themselves to context changes or to explicitly change the context via actuators. If multiple applications are executed in the same context, interferences are likely to occur. To manage interferences, a coordination framework is presented in this thesis. Interferences are detected using a context model and information about applications' interaction with the context. The resolution of interference is achieved through

  5. Coordination compounds in nuclear medicine

    International Nuclear Information System (INIS)

    Jurisson, S.; Berning, D.; Wei Jia; Dangshe Ma

    1993-01-01

    Radiopharmaceuticals, drugs containing a radionuclide, are used routinely in nuclear medicine departments for the diagnosis of disease and are under investigation for use in the treatment of disease. Nuclear medicine takes advantage of both the nuclear properties of the radionuclide and the pharmacological properties of the radiopharmaceutical. Herein lies the real strength of nuclear medicine, the ability to monitor biochemical and physiological functions in vivo. This review discusses the coordination chemistry that forms the basis for nuclear medicine applications of the FDA-approved radiopharmaceuticals that are in clinical use, and of the most promising diagnostic and therapeutic radiopharmaceuticals that are in various stages of development. 232 refs

  6. Coordinated hybrid automatic repeat request

    KAUST Repository

    Makki, Behrooz

    2014-11-01

    We develop a coordinated hybrid automatic repeat request (HARQ) approach. With the proposed scheme, if a user message is correctly decoded in the first HARQ rounds, its spectrum is allocated to other users, to improve the network outage probability and the users\\' fairness. The results, which are obtained for single- and multiple-antenna setups, demonstrate the efficiency of the proposed approach in different conditions. For instance, with a maximum of M retransmissions and single transmit/receive antennas, the diversity gain of a user increases from M to (J+1)(M-1)+1 where J is the number of users helping that user.

  7. Meso-Helical Ag(I) Coordination Polymer Based on a Pyridylimidazole Ligand

    International Nuclear Information System (INIS)

    Kang, Youngjin; Kim, Jinho; Lee, Eunji; Park, Ki-Min; Moon, Suk-Hee

    2016-01-01

    In the fields of material science and metallosupramolecular chemistry, coordination polymers with various helical types have been extensively explored because of their charming structures, and their potential applications in material chemistry. Among them, meso-helical coordination polymers consisting of achiral 1D strands, which are generally constructed by a crystallographic inversion symmetry, are relatively rare. The coordination polymer 1 exhibits a rare one-dimensional meso-helical chain topology constructed by its internal inversion symmetry. The skeleton of this meso-helical chain is preserved up to 300°C. The complexation of silver(I) ion to the free pyim ligand give rise to the enhanced photoluminescence intensity and slightly blue-shifted emission maximum, originated from intraligand (IL) π[BOND]π* transition and rigidochromic effect. Further exploration of complexation of this ligand with other transition metal ions is currently in progress

  8. Solar-Pumping Upconversion of Interfacial Coordination Nanoparticles.

    Science.gov (United States)

    Ishii, Ayumi; Hasegawa, Miki

    2017-01-30

    An interfacial coordination nanoparticle successfully exhibited an upconversion blue emission excited by very low-power light irradiation, such as sunlight. The interfacial complex was composed of Yb ions and indigo dye, which formed a nano-ordered thin shell layer on a Tm 2 O 3 nanoparticle. At the surface of the Tm 2 O 3 particle, the indigo dye can be excited by non-laser excitation at 640 nm, following the intramolecular energy transfer from the indigo dye to the Yb ions. Additionally, the excitation energy of the Yb ion was upconverted to the blue emission of the Tm ion at 475 nm. This upconversion blue emission was achieved by excitation with a CW Xe lamp at an excitation power of 0.14 mW/cm 2 , which is significantly lower than the solar irradiation power of 1.4 mW/cm 2 at 640 ± 5 nm.

  9. Synthesis, Structure and Properties of Two Novel 2D Zinc(II) Coordination Polymers based on Fluconazole and Benzene Carboxylic Acid

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Ganghong; Tang, Jingniu; Xu, Wenjia; Liang, Peng; Huang, Zhongjing [Guangxi University for Nationalities, Nanning (China)

    2013-12-15

    The design and synthesis of coordination polymers have aroused great interest owing to their intriguing aesthetic structures and potential applications in nonlinear optics, gas storage, ion exchange, luminescence, magnetism and catalysis. Self-assembly of bridging organic ligands (connectors) and multi-connected metal ions can give rise to various types of interesting coordination polymers. Since metal ion Zn(II) with d{sup 10} electronic configuration permits a variety of coordination numbers and geometries which are not dependent on ligand field stabilization but on ligand size and charge, it is well suited for the construction of various coordination polymers. Its borderline hardness allows the coordination of N, O and S donor atoms.

  10. Unpacking Coordination Benefits in Supply Networks

    DEFF Research Database (Denmark)

    Petrick, Irene J.; Maitland, Carleen; Pogrebnyakov, Nicolai

    2016-01-01

    This paper examines how coordination among firms in supply networks generates benefits in the short and long terms for firms. It focuses on information technology (IT) and process improvement coordination. Analysis was performed on quantitative and qualitative data from a sample of SMEs in plastics...... manufacturing in Pennsylvania. Results indicate that coordination on both IT and process improvement leads to short- and long-term benefits. These relationships were mediated by the adoption of innovations (when coordinating on IT) and access to new capabilities (in process improvement coordination......). These results extend the understanding of how participation in supply networks benefits individual firms....

  11. Three-Dimensional Cadmium(II Cyanide Coordination Polymers with Ethoxy-, Butoxy- and Hexyloxy-ethanol

    Directory of Open Access Journals (Sweden)

    Takeshi Kawasaki

    2016-08-01

    Full Text Available The three novel cadmium(II cyanide coordination polymers with alkoxyethanols, [Cd(CN2(C2H5OCH2CH2OH]n (I, [{Cd(CN2(C4H9OCH2CH2OH}3{Cd(CN2}]n (II and [{Cd(CN2(H2O2}{Cd(CN2}3·2(C6H13OCH2CH2OH]n (III, were synthesized and charcterized by structural determination. Three complexes have three-dimensional Cd(CN2 frameworks; I has distorted tridymite-like structure, and, II and III have zeolite-like structures. The cavities of Cd(CN2 frameworks of the complexes are occupied by the alkoxyethanol molecules. In I and II, hydroxyl oxygen atoms of alkoxyethanol molecules coordinate to the Cd(II ions, and the Cd(II ions exhibit slightly distort trigonal-bipyramidal coordination geometry. In II, there is also tetrahedral Cd(II ion which is coordinated by only the four cyanides. The hydroxyl oxygen atoms of alkoxyethanol connects etheric oxygen atoms of the neighboring alkoxyethanol by hydrogen bond in I and II. In III, hexyloxyethanol molecules do not coordinate to the Cd(II ions, and two water molecules coordnate to the octahedral Cd(II ions. The framework in III contains octahedral Cd(II and tetrahedral Cd(II in a 1:3 ratio. The Cd(CN2 framework structures depended on the difference of alkyl chain for alkoxyethanol molecules.

  12. Ion Beam Extraction by Discrete Ion Focusing

    DEFF Research Database (Denmark)

    2010-01-01

    An apparatus (900) and methods are disclosed for ion beam extraction. In an implementation, the apparatus includes a plasma source (or plasma) (802) and an ion extractor (804). The plasma source is adapted to generate ions and the ion extractor is immersed in the plasma source to extract a fracti...

  13. Coordinating International Response to Emergencies

    International Nuclear Information System (INIS)

    Bice, S. D.

    2007-01-01

    Pandemic disease, natural disasters and terrorism can affect thousands of people in a relatively short period of time anywhere in the world. Our recent international experience with hurricanes, earthquakes, tsunamis and infectious diseases (AIDS, TB and highly pathogenic avian influenza) show us that we must respond with a coordinated approach or we will fail the very people we intend to help. Nations from around the world are often eager to send assistance to the site of a disaster, but coordinating the incoming aid is more often flawed and imprecise than it must be in order to save lives and mitigate suffering. How can any one country, suffering from a horrendous calamity coordinate the incoming aid from around the world? Can any one agency hope to coordinate the myriad nation's response let alone that of the hundreds of non-governmental organizations? Currently, the answer is sadly, no. The purpose of this presentation is not to recommend one over the many international bodies which claim to oversee humanitarian assistance; the purpose of this presentation is to discuss the elements of only one aspect of the overall response effort: public health and medical response coordination. Public health response is of course different than a purely medical response. Traditionally, in a natural disaster, immediate public health concerns center around water, sewerage/waste disposal, potential for disease outbreaks, etc, whereas medical response concentrates on triage, saving those who can be saved, patching up the injured, and to a lesser extent, primary care to the survivors. In order to avoid political controversy, this presentation will use the example of Hurricane Iniki in Hawaii, September 1992, to illustrate key concepts. The State of Hawaii is no stranger to natural disasters. Their emergency response mechanisms are well honed, exercised and quite capable. However, the local community leaders on Kauai Island went thru each of the following phases before they

  14. Hydration numbers of trivalent lanthanide and actinide ions

    International Nuclear Information System (INIS)

    David, F.; Fourest, B.; Duplessis, J.

    1987-01-01

    Investigations on the structure of actinide aquo ions and determination of hydration numbers have to be studied, essentially, through radiochemical methods. They measured the transport numbers, diffusion coefficient D by the open end capillary method and ionic mobility u by electrophoresis. Both methods show a discontinuity in the transport number corresponding to the crystallographic radius of Eu 3+ or Bk 3+ ion. They deduced the volume of the actinide aquo ions, and the coordination number in the primary sphere. From calculations of the electrostriction phenomenon in the vicinity of central ion, they obtained effective volume of the water molecules and the dynamic hydration number corresponding to the second hydration sphere

  15. Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

    Science.gov (United States)

    Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J

    2016-03-14

    Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here.

  16. Bis(morpholine) hydrogen bond pincer - a novel series of heteroleptic Cu(II) coordination compounds as receptors for electron rich guests

    NARCIS (Netherlands)

    Stilinovic, Vladimir; Uzarevic, Krunoslav; Cvrtila, Ivica; Kaitner, Branko

    2012-01-01

    Crystallisation from morpholine (morph) solutions of copper(II) salts with monovalent anions (A) and 1,3-diketones (Hdkt) yielded nine heteroleptic coordination compounds [Cu(dkt)(morph)(2)A]. The coordination polyhedron of the copper ion in these compounds is a square pyramid with a monovalent

  17. Coordinated control of electrical drives

    International Nuclear Information System (INIS)

    Keresztely, S.

    1983-01-01

    The control system developed for the fuel handling machine of nuclear power plants contains seven microcomputers. Redundant hardware and software structure ensures high reliability and availability. The sensors are doubled and each set is connected to its own microcomputer for evaluation of measurements. The control program, coordinating seven electrical drives, is run on two identical microcomputers, and has access to both sets of measurement results. Two control desks are provided. The seventh microcomputer generates the digital picture of the working site around the actual position and the picture is sent to color TV monitors at the control desks. System reliability: failure of any part of the system causes an error message and no action. System availability: for emergency purposes, one of every pair of the identical subsystems must be operational. In this emergency mode unconditional reliability is lost. (author)

  18. Coordination control of distributed systems

    CERN Document Server

    Villa, Tiziano

    2015-01-01

    This book describes how control of distributed systems can be advanced by an integration of control, communication, and computation. The global control objectives are met by judicious combinations of local and nonlocal observations taking advantage of various forms of communication exchanges between distributed controllers. Control architectures are considered according to  increasing degrees of cooperation of local controllers:  fully distributed or decentralized control,  control with communication between controllers,  coordination control, and multilevel control.  The book covers also topics bridging computer science, communication, and control, like communication for control of networks, average consensus for distributed systems, and modeling and verification of discrete and of hybrid systems. Examples and case studies are introduced in the first part of the text and developed throughout the book. They include: control of underwater vehicles, automated-guided vehicles on a container terminal, contro...

  19. Coordinating towards a Common Good

    Science.gov (United States)

    Santos, Francisco C.; Pacheco, Jorge M.

    2010-09-01

    Throughout their life, humans often engage in collective endeavors ranging from family related issues to global warming. In all cases, the tragedy of the commons threatens the possibility of reaching the optimal solution associated with global cooperation, a scenario predicted by theory and demonstrated by many experiments. Using the toolbox of evolutionary game theory, I will address two important aspects of evolutionary dynamics that have been neglected so far in the context of public goods games and evolution of cooperation. On one hand, the fact that often there is a threshold above which a public good is reached [1, 2]. On the other hand, the fact that individuals often participate in several games, related to the their social context and pattern of social ties, defined by a social network [3, 4, 5]. In the first case, the existence of a threshold above which collective action is materialized dictates a rich pattern of evolutionary dynamics where the direction of natural selection can be inverted compared to standard expectations. Scenarios of defector dominance, pure coordination or coexistence may arise simultaneously. Both finite and infinite population models are analyzed. In networked games, cooperation blooms whenever the act of contributing is more important than the effort contributed. In particular, the heterogeneous nature of social networks naturally induces a symmetry breaking of the dilemmas of cooperation, as contributions made by cooperators may become contingent on the social context in which the individual is embedded. This diversity in context provides an advantage to cooperators, which is particularly strong when both wealth and social ties follow a power-law distribution, providing clues on the self-organization of social communities. Finally, in both situations, it can be shown that individuals no longer play a defection dominance dilemma, but effectively engage in a general N-person coordination game. Even if locally defection may seem

  20. ION GUN

    Science.gov (United States)

    Dandl, R.A.

    1961-10-24

    An ion gun is described for the production of an electrically neutral ionized plasma. The ion gun comprises an anode and a cathode mounted in concentric relationship with a narrow annulus between. The facing surfaces of the rear portions of the anode and cathode are recessed to form an annular manifold. Positioned within this manifold is an annular intermediate electrode aligned with the an nulus between the anode and cathode. Gas is fed to the manifold and an arc discharge is established between the anode and cathode. The gas is then withdrawn from the manifold through the annulus between the anode and cathode by a pressure differential. The gas is then ionized by the arc discharge across the annulus. The ionized gas is withdrawn from the annulus by the combined effects of the pressure differential and a collimating magnetic field. In a 3000 gauss magnetic field, an arc voltage of 1800 volts, and an arc current of 0.2 amp, a plasma of about 3 x 10/sup 11/ particles/cc is obtained. (AEC)

  1. Heavy ions

    CERN Multimedia

    CERN. Geneva; Antinori, Federico

    2001-01-01

    Colliding two heavy nuclei at ultrarelativistic energies allows to create in the laboratory a bulk system with huge density, pressure and temperature and to study its properties. It is estimated that in Pb-Pb collisions at CERN-SPS we reach over an appreciable volume an energy density which exceeds by more than a factor 20 that of normal nuclear matter. At such densities, the hadrons are so closely packed that they interpenetrate; novel physics phenomena are expected to appear. QCD predicts that under such conditions a phase transition from a system composed of colourless hadrons to a Quark-Gluon Plasma (QGP) should occur. A rich ultrarelativistic heavy-ion physics programme is under way both at BNL-AGS and at CERN-SPS since 1986. The results obtained so far have led CERN to officially announce evidence for a new state of matter last year. A long-range programme of heavy-ion physics at higher energies is under way (BNL-RHIC) and in preparation (CERN-LHC). These lectures are meant as an introduction to the phy...

  2. Heavy ions

    CERN Multimedia

    CERN. Geneva. Audiovisual Unit

    2002-01-01

    Colliding two heavy nuclei at ultrarelativistic energies allows to create in the laboratory a bulk system with huge density, pressure and temperature and to study its properties. It is estimated that in Pb-Pb collisions at CERN-SPS we reach over an appreciable volume an energy density which exceeds by more than a factor 20 that of normal nuclear matter. At such densities, the hadrons are so closely packed that they interpenetrate; novel physics phenomena are expected to appear. QCD predicts that under such conditions a phase transition from a system composed of colourless hadrons to a Quark-Gluon Plasma (QGP) should occur. A rich ultrarelativistic heavy-ion physics programme is under way both at BNL-AGS and at CERN-SPS since 1986. The results obtained so far have led CERN to officially announce evidence for a new state of matter last year. A long-range programme of heavy-ion physics at higher energies is under way (BNL-RHIC) and in preparation (CERN-LHC). These lectures are meant as an introduction to the phy...

  3. Adaptable coordination of U(IV) in the 2D-(4,4) uranium oxalate network: From 8 to 10 coordinations in the uranium (IV) oxalate hydrates

    International Nuclear Information System (INIS)

    Duvieubourg-Garela, L.; Vigier, N.; Abraham, F.; Grandjean, S.

    2008-01-01

    Crystals of uranium (IV) oxalate hydrates, U(C 2 O 4 ) 2 .6H 2 O (1) and U(C 2 O 4 ) 2 .2H 2 O (2), were obtained by hydrothermal methods using two different U(IV) precursors, U 3 O 8 oxide and nitric U(IV) solution in presence of hydrazine to avoid oxidation of U(IV) into uranyl ion. Growth of crystals of solvated monohydrated uranium (IV) oxalate, U(C 2 O 4 ) 2 .H 2 O.(dma) (3), dma=dimethylamine, was achieved by slow diffusion of U(IV) into a gel containing oxalate ions. The three structures are built on a bi-dimensional complex polymer of U(IV) atoms connected through bis-bidentate oxalate ions forming [U(C 2 O 4 )] 4 pseudo-squares. The flexibility of this supramolecular arrangement allows modifications of the coordination number of the U(IV) atom which, starting from 8 in 1 increases to 9 in 3 and, finally increases, to 10 in 2. The coordination polyhedron changes from a distorted cube, formed by eight oxygen atoms of four oxalate ions, in 1, to a mono-capped square anti-prism in 3 and, finally, to a di-capped square anti-prism in 2, resulting from rotation of the oxalate ions and addition of one and two water oxygen atoms in the coordination of U(IV). In 1, the space between the ∞ 2 [U(C 2 O 4 ) 2 ] planar layers is occupied by non-coordinated water molecules; in 2, the space between the staggered ∞ 2 [U(C 2 O 4 ) 2 .2H 2 O] layers is empty, finally in 3, the solvate molecules occupy the interlayer space between corrugated ∞ 2 [U(C 2 O 4 ) 2 .H 2 O] sheets. The thermal decomposition of U(C 2 O 4 ) 2 .6H 2 O under air and argon atmospheres gives U 3 O 8 and UO 2 , respectively. - Graphical abstract: The adaptable environment of U(IV) in U(IV) oxalates: from eight cubic coordination in U(C 2 O 4 ) 2 .6H 2 O (a) completed by water oxygens to nine in [U(C 2 O 4 ) 2 .H 2 O](C 2 NH 5 ) (b) and ten coordination in U(C 2 O 4 ) 2 .2H 2 O (c)

  4. Control coordination abilities in shock combat sports

    Directory of Open Access Journals (Sweden)

    Natalya Boychenko

    2014-12-01

    Full Text Available Purpose: optimize the process control level of coordination abilities in martial arts. Material and Methods: analysis and compilation of scientific and methodological literature, interviews with coaches of drum martial arts, video analysis techniques, teacher observations. Results: identified specific types of coordination abilities in shock combat sports. Pod branny and offered specific and nonspecific tests to monitor the level of species athletes coordination abilities. Conclusion: it is determined that in order to achieve victory in the fight martial artists to navigate the space to be able to assess and manage dynamic and spatio-temporal parameters of movements, maintain balance, have a high coordination of movements. The proposed tests to monitor species coordination abilities athletes allow an objective assessment of not only the overall level of coordination, and the level of specific types of manifestations of this ability.

  5. Hamiltonization of theories with degenerate coordinates

    International Nuclear Information System (INIS)

    Gitman, D.M.; Tyutin, I.V.

    2002-01-01

    We consider a class of Lagrangian theories where part of the coordinates does not have any time derivatives in the Lagrange function (we call such coordinates degenerate). We advocate that it is reasonable to reconsider the conventional definition of singularity based on the usual Hessian and, moreover, to simplify the conventional hamiltonization procedure. In particular, in such a procedure, it is not necessary to complete the degenerate coordinates with the corresponding conjugate momenta

  6. Hamiltonization of theories with degenerate coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Gitman, D.M. E-mail: gitman@fma.if.usp.br; Tyutin, I.V. E-mail: tyutin@lpi.ru

    2002-05-27

    We consider a class of Lagrangian theories where part of the coordinates does not have any time derivatives in the Lagrange function (we call such coordinates degenerate). We advocate that it is reasonable to reconsider the conventional definition of singularity based on the usual Hessian and, moreover, to simplify the conventional hamiltonization procedure. In particular, in such a procedure, it is not necessary to complete the degenerate coordinates with the corresponding conjugate momenta.

  7. Convergence of barycentric coordinates to barycentric kernels

    KAUST Repository

    Kosinka, Jiří

    2016-02-12

    We investigate the close correspondence between barycentric coordinates and barycentric kernels from the point of view of the limit process when finer and finer polygons converge to a smooth convex domain. We show that any barycentric kernel is the limit of a set of barycentric coordinates and prove that the convergence rate is quadratic. Our convergence analysis extends naturally to barycentric interpolants and mappings induced by barycentric coordinates and kernels. We verify our theoretical convergence results numerically on several examples.

  8. Convergence of barycentric coordinates to barycentric kernels

    KAUST Repository

    Kosinka, Jiří ; Barton, Michael

    2016-01-01

    We investigate the close correspondence between barycentric coordinates and barycentric kernels from the point of view of the limit process when finer and finer polygons converge to a smooth convex domain. We show that any barycentric kernel is the limit of a set of barycentric coordinates and prove that the convergence rate is quadratic. Our convergence analysis extends naturally to barycentric interpolants and mappings induced by barycentric coordinates and kernels. We verify our theoretical convergence results numerically on several examples.

  9. Knowledge coordination in distributed software management

    DEFF Research Database (Denmark)

    Persson, John Stouby; Mathiassen, Lars

    2012-01-01

    Software organizations are increasingly relying on cross-organizational and cross-border collaboration, requiring effective coordination of distributed knowledge. However, such coordination is challenging due to spatial separation, diverging communities-of-practice, and unevenly distributed...... communication breakdowns on recordings of their combined teleconferencing and real-time collaborative modeling. As a result, we offer theoretical propositions that explain how distributed software managers can deal with communication breakdowns and effectively coordinate knowledge through multimodal virtual...

  10. Group Coordination Support in Networked Multimedia Systems

    National Research Council Canada - National Science Library

    Dommel, Hans-Peter

    1999-01-01

    .... In this dissertation, we address network control and coordination functions to orchestrate synchronous multimedia groupwork, establishing a sharing discipline on multimedia resources and guaranteeing...

  11. EPOS for Coordination of Asynchronous Sensor Webs

    Data.gov (United States)

    National Aeronautics and Space Administration — Develop, integrate, and deploy software-based tools to coordinate asynchronous, distributed missions and optimize observation planning spanning simultaneous...

  12. Quantization in rotating co-ordinates revisited

    International Nuclear Information System (INIS)

    Hussain, F.; Qadir, A.

    1982-07-01

    Recent work on quantization in rotating co-ordinates showed that no radiation would be seen by an observer rotating with a constant angular speed. This work used a Galilean-type co-ordinate transformation. We show that the same result holds for a Lorentz-type co-ordinate system, in spite of the fact that the metric has a co-ordinate singularity at rΩ = 1. Further, we are able to define positive and negative energy modes for a particular case of a non-static, non-stationary metric. (author)

  13. Co(II) Coordination in Prokaryotic Zinc Finger Domains as Revealed by UV-Vis Spectroscopy

    Science.gov (United States)

    Sivo, Valeria; D'Abrosca, Gianluca; Russo, Luigi; Iacovino, Rosa; Pedone, Paolo Vincenzo; Fattorusso, Roberto

    2017-01-01

    Co(II) electronic configuration allows its use as a spectroscopic probe in UV-Vis experiments to characterize the metal coordination sphere that is an essential component of the functional structure of zinc-binding proteins and to evaluate the metal ion affinities of these proteins. Here, exploiting the capability of the prokaryotic zinc finger to use different combinations of residues to properly coordinate the structural metal ion, we provide the UV-Vis characterization of Co(II) addition to Ros87 and its mutant Ros87_C27D which bears an unusual CysAspHis2 coordination sphere. Zinc finger sites containing only one cysteine have been infrequently characterized. We show for the CysAspHis2 coordination an intense d-d transition band, blue-shifted with respect to the Cys2His2 sphere. These data complemented by NMR and CD data demonstrate that the tetrahedral geometry of the metal site is retained also in the case of a single-cysteine coordination sphere. PMID:29386985

  14. Coordinating with the "Inner GPS".

    Science.gov (United States)

    Fenton, André A

    2015-06-01

    The 2014 Nobel Prize for Physiology or Medicine was awarded for the discoveries that have elucidated the components of the internal positioning system that is centered on the hippocampus and entorhinal cortex. Here I provide a less than objective discussion of the importance of these accomplishments to systems neuroscience. By identifying positioning components like place, direction, distance, borders and the like, the field is given the opportunity to have a shot at piecing together how these components are integrated into the synthetic positioning sense. We are also given what is in my view, the most experimentally accessible and therefore potentially understandable, cognitive representation. Lest we feel too confident in the completeness of our understanding, and to inspire redoubled curiosity, I briefly describe a preliminary observation from our work with the psychosis-inducing drug phencyclidine (PCP). While PCP does not disturb where individual place cells fire, it dramatically discoordinates how these cells discharge together in time. Trying to understand how the positioning component cells are coordinated to provide useful knowledge is an exciting and tenable problem to be working on. © 2015 Wiley Periodicals, Inc.

  15. N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhuang Guilin, E-mail: glzhuang@zjut.edu.cn [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Chen Wulin [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Zheng Jun [Center of Modern Experimental Technology, Anhui University, Hefei 230039 (China); Yu Huiyou [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Wang Jianguo, E-mail: jgw@zjut.edu.cn [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China)

    2012-08-15

    A series of lanthanide coordination polymers have been obtained through the hydrothermal reaction of N-(sulfoethyl) iminodiacetic acid (H{sub 3}SIDA) and Ln(NO{sub 3}){sub 3} (Ln=La, 1; Pr, 2; Nd, 3; Gd, 4). Crystal structure analysis exhibits that lanthanide ions affect the coordination number, bond length and dimension of compounds 1-4, which reveal that their structure diversity can be attributed to the effect of lanthanide contraction. Furthermore, the combination of magnetic measure with quantum Monte Carlo(QMC) studies exhibits that the coupling parameters between two adjacent Gd{sup 3+} ions for anti-anti and syn-anti carboxylate bridges are -1.0 Multiplication-Sign 10{sup -3} and -5.0 Multiplication-Sign 10{sup -3} cm{sup -1}, respectively, which reveals weak antiferromagnetic interaction in 4. - Graphical abstract: Four lanthanide coordination polymers with N-(sulfoethyl) iminodiacetic acid were obtained under hydrothermal condition and reveal the weak antiferromagnetic coupling between two Gd{sup 3+} ions by Quantum Monte Carlo studies. Highlights: Black-Right-Pointing-Pointer Four lanthanide coordination polymers of H{sub 3}SIDA ligand were obtained. Black-Right-Pointing-Pointer Lanthanide ions play an important role in their structural diversity. Black-Right-Pointing-Pointer Magnetic measure exhibits that compound 4 features antiferromagnetic property. Black-Right-Pointing-Pointer Quantum Monte Carlo studies reveal the coupling parameters of two Gd{sup 3+} ions.

  16. Ion beam monitoring

    International Nuclear Information System (INIS)

    McKinney, C.R.

    1980-01-01

    An ion beam analyzer is specified, having an ion source for generating ions of a sample to be analyzed, means for extracting the sample ions, means for focusing the sample ions into a beam, separation means positioned along the ion beam for selectively deflecting species of ions, and means for detecting the selected species of ions. According to the specification, the analyzer further comprises (a) means for disabling at least a portion of the separation means, such that the ion beam from the source remains undeflected; (b) means located along the path of the undeflected ion beam for sensing the sample ions; and (c) enabling means responsive to the sensing means for automatically re-enabling the separation means when the sample ions reach a predetermined intensity level. (author)

  17. Emission and null coordinates: geometrical properties and physical construction

    International Nuclear Information System (INIS)

    Coll, Bartolome; Ferrando, Joan J; Morales-Lladosa, Juan A

    2011-01-01

    A Relativistic Positioning System is defined by four clocks (emitters) broadcasting their proper time. Then, every event reached by the signals is naturally labeled by these four times which are the emission coordinates of this event. The coordinate hypersurfaces of the emission coordinates are the future light cones based on the emitter trajectories. For this reason the emission coordinates have been also named null coordinates or light coordinates. Nevertheless, other coordinate systems used in different relativistic contexts have the own right to be named null or light coordinates. Here we analyze when one can say that a coordinate is a null coordinate and when one can say that a coordinate system is null. Moreover, we examine the physical construction and the geometrical properties of several n ull coordinate systems : the emission and the reception coordinates, the radar coordinates, and the Bondi-Sachs coordinates, among others.

  18. Vaidya spacetime in the diagonal coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Berezin, V. A., E-mail: berezin@inr.ac.ru; Dokuchaev, V. I., E-mail: dokuchaev@inr.ac.ru; Eroshenko, Yu. N., E-mail: eroshenko@inr.ac.ru [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation)

    2017-03-15

    We have analyzed the transformation from initial coordinates (v, r) of the Vaidya metric with light coordinate v to the most physical diagonal coordinates (t, r). An exact solution has been obtained for the corresponding metric tensor in the case of a linear dependence of the mass function of the Vaidya metric on light coordinate v. In the diagonal coordinates, a narrow region (with a width proportional to the mass growth rate of a black hole) has been detected near the visibility horizon of the Vaidya accreting black hole, in which the metric differs qualitatively from the Schwarzschild metric and cannot be represented as a small perturbation. It has been shown that, in this case, a single set of diagonal coordinates (t, r) is insufficient to cover the entire range of initial coordinates (v, r) outside the visibility horizon; at least three sets of diagonal coordinates are required, the domains of which are separated by singular surfaces on which the metric components have singularities (either g{sub 00} = 0 or g{sub 00} = ∞). The energy–momentum tensor diverges on these surfaces; however, the tidal forces turn out to be finite, which follows from an analysis of the deviation equations for geodesics. Therefore, these singular surfaces are exclusively coordinate singularities that can be referred to as false fire-walls because there are no physical singularities on them. We have also considered the transformation from the initial coordinates to other diagonal coordinates (η, y), in which the solution is obtained in explicit form, and there is no energy–momentum tensor divergence.

  19. A polythreaded Ag(I) coordination polymer: A rare three-dimensional Pseudo-polyrotaxana constructed from the same components

    Energy Technology Data Exchange (ETDEWEB)

    Im, Han Su; Lee, Eunji; Lee, Shim Sung; Kim, Tae Ho; Park, Ki Min [Research Institute of Natural Science and Dept. of Chemistry, Gyeongsang National University, Jinju (Korea, Republic of); Moon, Suk Hee [Dept. of Food and Nutrition, Kyungnam College of Information and Technology, Busan (Korea, Republic of)

    2017-01-15

    In supramolecular chemistry, a lot of mechanically poly-threaded coordination polymers, such as polyrotaxanes, based on self-assembly of organic ligands and transition metal ions have attracted great attention over the past two decades because of their fascinating architectures as well as their potential application in material science. Among them, 1D + 2D → 3D pseudo-polyrotaxane constructed by the penetration of 1D coordination polymer chains into 1D channels formed by parallel stacking of 2D porous coordination layers is a quite rare topology. Until now, only a few examples of 1D + 2D → 3D pseudo-polyrotaxanes have been reported.

  20. A polythreaded Ag(I) coordination polymer: A rare three-dimensional Pseudo-polyrotaxana constructed from the same components

    International Nuclear Information System (INIS)

    Im, Han Su; Lee, Eunji; Lee, Shim Sung; Kim, Tae Ho; Park, Ki Min; Moon, Suk Hee

    2017-01-01

    In supramolecular chemistry, a lot of mechanically poly-threaded coordination polymers, such as polyrotaxanes, based on self-assembly of organic ligands and transition metal ions have attracted great attention over the past two decades because of their fascinating architectures as well as their potential application in material science. Among them, 1D + 2D → 3D pseudo-polyrotaxane constructed by the penetration of 1D coordination polymer chains into 1D channels formed by parallel stacking of 2D porous coordination layers is a quite rare topology. Until now, only a few examples of 1D + 2D → 3D pseudo-polyrotaxanes have been reported

  1. Effects of metal-ion replacement on pyrazinamidase activity: A quantum mechanical study.

    Science.gov (United States)

    Khadem-Maaref, Mahmoud; Mehrnejad, Faramarz; Phirouznia, Arash

    2017-05-01

    Pyrazinamidase (PZase), a metalloenzyme, is responsible for acidic modification of pyrazinamide (PZA), a drug used in tuberculosis treatment. The metal coordination site of the enzyme is able to coordinate various divalent metal cofactors. Previous experimental studies have demonstrated that metal ions, such as Co 2+ , Mn 2+ , and Zn 2+ , are able to reactivate metal-depleted PZase, while others including Cu 2+ , Fe 2+ , and Mg 2+ , cannot restore activity. In this study, we investigated binding of various metal ions to the metal coordination site (MCS) of the enzyme using quantum mechanical calculations. We calculated the metal-ligand (residue) binding energy and the atomic partial charges in the presence of various ions. The results indicated that the tendency of alkaline earth metals to bind to PZase MCS is very low and not suitable for enzyme structural and catalytic function. In contrast, Co 2+ and Ni 2+ ions have very high binding affinity and are favorable to the structural and functional properties of the enzyme. Furthermore, we observed that the rate at which Ni 2+ , Co 2+ and Fe 2+ ions in PZase MCS polarize the OH bond of coordinated water molecules is much higher than the polarization rate created by other ions. This finding suggests that the coordination of Ni 2+ , Co 2+ , or Fe 2+ to PZase facilitates the deprotonation of coordinated water molecules to generate a nucleophile that catalyzes the enzymatic reaction. Copyright © 2017 Elsevier Inc. All rights reserved.

  2. On distortions of TPC coordinates: inhomogeneities of electric and magnetic field

    CERN Document Server

    Dydak, F

    2003-01-01

    After a general discussion of electron drift in a gas volume with electric and magnetic fields, distortions in the r and r phi coordinates arising from inhomogeneities of the electric and magnetic fields in the HARP TPC are calculated. Inhomogeneities of the electric field arise from i) positive ions released by cosmic rays, ii) positive ions released by interaction secondaries, iii) positive ions released by beam muons, iv) positive ions released from beam particles downstream of the inner field cage, and v) a high voltage misalignment between the outer and inner field cages. Also, distortions arising from the inhomogeneity of the magnetic field are calculated. These effects resolve the controversy on unphysical numbers of 'wrong-charge' TPC tracks. The bad news are that effects are too big to be neglected. The good news are that, with enough sweat and tears, they can be adequately corrected.

  3. Poisoning of liquid membrane carriers in extraction of metal ions

    International Nuclear Information System (INIS)

    Wang, Yuchun; Wang, Dexian

    1992-01-01

    As means of effective separation and preconcentration, emulsion liquid membranes (ELMs) have found application in many fields including biochemical separation, wastewater treatment, hydrometallurgy, and preconcentration in analytical chemistry. In the extraction of desired metal (scandium, mixed rare earths) ions using chelating extractants (TTA, HDEHP) as liquid membrane carriers, the carriers will become poisoned owing to the presence of even minute quantity of certain high ionic potential ions in the feed solution. The reason for the poisoning of carriers is that those ions have so much greater affinity than the desired ions for the membrane carrier that the ion-carrier coordination compound cannot be stripped at the interior interface of the membrane and gradually no more free carrier transports any metal ions across the membrane. The calculated results are in agreement with the experiments, and methods to avoid the poisoning are given in the paper

  4. On superfield covariant quantization in general coordinates

    International Nuclear Information System (INIS)

    Gitman, D.M.; Moshin, P. Yu.; Tomazelli, J.L.

    2005-01-01

    We propose a natural extension of the BRST-antiBRST superfield covariant scheme in general coordinates. Thus, the coordinate dependence of the basic tensor fields and scalar density of the formalism is extended from the base supermanifold to the complete set of superfield variables. (orig.)

  5. On superfield covariant quantization in general coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Gitman, D.M. [Universidade de Sao Paulo, Instituto de Fisica, Sao Paulo, S.P (Brazil); Moshin, P. Yu. [Universidade de Sao Paulo, Instituto de Fisica, Sao Paulo, S.P (Brazil); Tomsk State Pedagogical University, Tomsk (Russian Federation); Tomazelli, J.L. [UNESP, Departamento de Fisica e Quimica, Campus de Guaratingueta (Brazil)

    2005-12-01

    We propose a natural extension of the BRST-antiBRST superfield covariant scheme in general coordinates. Thus, the coordinate dependence of the basic tensor fields and scalar density of the formalism is extended from the base supermanifold to the complete set of superfield variables. (orig.)

  6. Self-triggered coordination with ternary controllers

    NARCIS (Netherlands)

    De Persis, Claudio; Frasca, Paolo

    2012-01-01

    This paper regards coordination of networked systems with ternary controllers. We develop a hybrid coordination system which implements a self-triggered communication policy, based on polling the neighbors upon need. We prove that the proposed scheme ensures finite-time convergence to a neighborhood

  7. Politics of coordination in environmental health

    DEFF Research Database (Denmark)

    Holm, Jesper; Kjærgård, Bente; Jelsøe, Erling

    2015-01-01

    on environmental policy integration, for studying the efforts and paradoxes in sector co-ordination, in order to reflect on the pro et cons of integrative approaches to environment and public health. We will give an overview of the various approaches to coordinative efforts from an international to a national...

  8. Project Coordinator - Karianet | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Primary Duties or Responsibilities. The specific responsibilities of the Project Coordinator are grouped into three categories: Knowledge Management, Research Management and Project Management. As Knowledge Manager, the program coordinator will play a lead role in: Introducing and using knowledge management ...

  9. Energy Materials Coordinating Committee (EMaCC)

    Energy Technology Data Exchange (ETDEWEB)

    1991-05-31

    This report summarizes EMaCC activities for fiscal year 1990 and describes the materials research programs of various offices and divisions within the department. The DOE Energy Materials Coordinating Committee (EMaCC) serves primarily to enhance coordination among the Department's materials programs and to further the effective use of materials expertise within the department. (JL)

  10. Conventions and institutions in coordination problems

    NARCIS (Netherlands)

    van der Lecq, S.G.

    1996-01-01

    This survey article starts with a game-theory interpretation of coordination problems that occur in an economy. Three types of games are discussed in which the degree of coordination versus conflict varies. It is shown that game-theoretic techniques for equilibrium selection or securing the highest

  11. 78 FR 73819 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-12-09

    ... DEPARTMENT OF AGRICULTURE Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of Cancellation. SUMMARY: The U.S. Department of Agriculture, Forest Service was required to cancel the October 17-18, 2013 meeting of the Forest Resource Coordinating Committee...

  12. 78 FR 57128 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-09-17

    ... agencies and the private sector, to effectively address the national priorities for non-industrial private... Coordinating Committee Web site at http://www.fs.fed.us/spf/coop/frcc/ . Visitors are encouraged to call ahead... Resource Coordinating Committee can be found by visiting the Committee's Web site at: http://www.fs.fed.us...

  13. You're a "What"? Recycling Coordinator

    Science.gov (United States)

    Torpey, Elka Maria

    2011-01-01

    Recycling coordinators supervise curbside and dropoff recycling programs for municipal governments or private firms. Today, recycling is mandatory in many communities. And advancements in collection and processing methods have helped to increase the quantity of materials for which the recycling coordinator is responsible. In some communities,…

  14. 40 CFR 35.272 - Funding coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  15. 40 CFR 35.691 - Funding coordination.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

  16. 40 CFR 233.31 - Coordination requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Coordination requirements. 233.31 Section 233.31 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) OCEAN DUMPING 404 STATE PROGRAM REGULATIONS Program Operation § 233.31 Coordination requirements. (a) If a proposed...

  17. 7 CFR 624.5 - Coordination.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 6 2010-01-01 2010-01-01 false Coordination. 624.5 Section 624.5 Agriculture Regulations of the Department of Agriculture (Continued) NATURAL RESOURCES CONSERVATION SERVICE, DEPARTMENT OF AGRICULTURE WATER RESOURCES EMERGENCY WATERSHED PROTECTION § 624.5 Coordination. (a) If the President declares...

  18. Vendor-Buyer Coordination in Supply Chains

    NARCIS (Netherlands)

    H.J.J. Verheijen (Bas)

    2010-01-01

    textabstractCollaboration between firms in order to coordinate supply chain operations can lead to both strategic and operational benefits. Many advanced forms of collaboration arrangements between firms exist with the aim to coordinate supply chain decisions and to reap these benefits. This

  19. Evaluation of vertical coordinate and vertical mixing algorithms in the HYbrid-Coordinate Ocean Model (HYCOM)

    Science.gov (United States)

    Halliwell, George R.

    Vertical coordinate and vertical mixing algorithms included in the HYbrid Coordinate Ocean Model (HYCOM) are evaluated in low-resolution climatological simulations of the Atlantic Ocean. The hybrid vertical coordinates are isopycnic in the deep ocean interior, but smoothly transition to level (pressure) coordinates near the ocean surface, to sigma coordinates in shallow water regions, and back again to level coordinates in very shallow water. By comparing simulations to climatology, the best model performance is realized using hybrid coordinates in conjunction with one of the three available differential vertical mixing models: the nonlocal K-Profile Parameterization, the NASA GISS level 2 turbulence closure, and the Mellor-Yamada level 2.5 turbulence closure. Good performance is also achieved using the quasi-slab Price-Weller-Pinkel dynamical instability model. Differences among these simulations are too small relative to other errors and biases to identify the "best" vertical mixing model for low-resolution climate simulations. Model performance deteriorates slightly when the Kraus-Turner slab mixed layer model is used with hybrid coordinates. This deterioration is smallest when solar radiation penetrates beneath the mixed layer and when shear instability mixing is included. A simulation performed using isopycnic coordinates to emulate the Miami Isopycnic Coordinate Ocean Model (MICOM), which uses Kraus-Turner mixing without penetrating shortwave radiation and shear instability mixing, demonstrates that the advantages of switching from isopycnic to hybrid coordinates and including more sophisticated turbulence closures outweigh the negative numerical effects of maintaining hybrid vertical coordinates.

  20. Coordinated School Health and the Contribution of a District Wellness Coordinator

    Science.gov (United States)

    Westrich, Lisa; Sanchez, Monika; Strobel, Karen

    2015-01-01

    Background: A San Francisco Bay Area school health initiative was established in fall 2010 to improve wellness programs in 4 local school districts using the Coordinated School Health (CSH) model. This study examines the role of district-wide wellness coordinators and the ways in which they contribute to intentional coordination of health and…

  1. Relational Coordination in Danish General Practice

    DEFF Research Database (Denmark)

    Lundstrøm, Sanne Lykke

    . The dissertation present the research study and a collection of three research papers prepared during the period from May 2010 to June 2014. Relational coordination and organisational social capital are measures of novel aspects of an organisation's performance. Relational coordination analyse the communication...... and relationship networks through which work is coordinated across functional and organisational boundaries. Previous studies have shown that relational coordination is positively associated with delivery of care for patients with chronic illness. Organisational social capital is used when analysing...... the psychosocial work environment in organisations, and is seen as a powerful resources for improving organisational performance. Relational coordination and organisational social capital may oer new insight and opportunities for general practice to learn. General practice provides cost-efficient, first...

  2. Coordinate metrology accuracy of systems and measurements

    CERN Document Server

    Sładek, Jerzy A

    2016-01-01

    This book focuses on effective methods for assessing the accuracy of both coordinate measuring systems and coordinate measurements. It mainly reports on original research work conducted by Sladek’s team at Cracow University of Technology’s Laboratory of Coordinate Metrology. The book describes the implementation of different methods, including artificial neural networks, the Matrix Method, the Monte Carlo method and the virtual CMM (Coordinate Measuring Machine), and demonstrates how these methods can be effectively used in practice to gauge the accuracy of coordinate measurements. Moreover, the book includes an introduction to the theory of measurement uncertainty and to key techniques for assessing measurement accuracy. All methods and tools are presented in detail, using suitable mathematical formulations and illustrated with numerous examples. The book fills an important gap in the literature, providing readers with an advanced text on a topic that has been rapidly developing in recent years. The book...

  3. Mass-selective isolation of ions stored in a quadrupole ion trap. A simulation study

    Science.gov (United States)

    March, Raymond E.; Londry, Frank A.; Alfred, Roland L.; Franklin, Anthony M.; Todd, John F. J.

    1992-01-01

    Trajectories of single ions stored in the quadrupole ion trap have been calculated using a simulation program described as the specific program for quadrupolar resonance (SPQR). Previously, the program has been used for the investigation of quadrupolar resonance excitation of ions with a static working point (or co-ordinates) in the stability diagram. The program has been modified to accommodate continuous d.c. and/or r.f. voltage ramps so as to permit calculation of ion trajectories while the working point is being changed. The modified program has been applied to the calculation of ion trajectories during ion isolation, or mass-selective storage, in the ion trap. The quadrupolar resonance excitation aspect of SPQR was not used in this study. Trajectories are displayed as temporal variations of ion kinetic energy, and axial and radial excursions from the centre of the ion trap. The working points of three ion species (m/z 144, 146 and 148), located initially on the qz, axis with qz [approximate] 0.12, were moved to the vicinity of the upper apex by a combination of r.f. and d.c. voltages applied in succession. Stable trajectories were maintained only for the ion species of m/z 146 for which the working point lay within this apex; the other ion species were ejected either radially or axially. The d.c. voltage was then reduced to zero so as to restore the working point of the isolated ion species to the qz axis. The amplitude of the r.f voltage was reduced to its initial value so as to retrieve the initial working point for m/z 146. The process extended over a real time of 2.9 ms, and was collision-free. The trajectory of the isolated ion was stable during this process; the ion species with m/z value lower than that of the target ion, that is, m/z 144, was ejected axially at the [beta]z = 1 boundary, while that with higher m/z value, that is, m/z 148, was ejected radially at the [beta]r = 0 boundary, as expected. The moderating effects of buffer gas were not taken

  4. The shallow water equations in Lagrangian coordinates

    International Nuclear Information System (INIS)

    Mead, J.L.

    2004-01-01

    Recent advances in the collection of Lagrangian data from the ocean and results about the well-posedness of the primitive equations have led to a renewed interest in solving flow equations in Lagrangian coordinates. We do not take the view that solving in Lagrangian coordinates equates to solving on a moving grid that can become twisted or distorted. Rather, the grid in Lagrangian coordinates represents the initial position of particles, and it does not change with time. We apply numerical methods traditionally used to solve differential equations in Eulerian coordinates, to solve the shallow water equations in Lagrangian coordinates. The difficulty with solving in Lagrangian coordinates is that the transformation from Eulerian coordinates results in solving a highly nonlinear partial differential equation. The non-linearity is mainly due to the Jacobian of the coordinate transformation, which is a precise record of how the particles are rotated and stretched. The inverse Jacobian must be calculated, thus Lagrangian coordinates cannot be used in instances where the Jacobian vanishes. For linear (spatial) flows we give an explicit formula for the Jacobian and describe the two situations where the Lagrangian shallow water equations cannot be used because either the Jacobian vanishes or the shallow water assumption is violated. We also prove that linear (in space) steady state solutions of the Lagrangian shallow water equations have Jacobian equal to one. In the situations where the shallow water equations can be solved in Lagrangian coordinates, accurate numerical solutions are found with finite differences, the Chebyshev pseudospectral method, and the fourth order Runge-Kutta method. The numerical results shown here emphasize the need for high order temporal approximations for long time integrations

  5. Recoil ion spectroscopy with heavy ions

    International Nuclear Information System (INIS)

    Beyer, H.F.; Mann, R.

    1984-01-01

    This chapter examines the production of very high charge state ions in single ion-atom collisions. Topics considered include some aspects of highly ionized atoms, experimental approaches, the production of highly charged target ions (monoatomic targets, recoil energy distribution, molecular fragmentation, outer-shell rearrangement, lifetime measurements, a comparison of projectile-, target-, and plasma-ion stripping), and secondary collision experiments (selective electron capture, potential applications). The heavy-ion beams for the described experiments were provided by accelerators such as tandem Van de Graaff facility and the UNILAC

  6. Moessbauer effect study of oxidation and coordination states of iron in some sodium borate glasse:;

    International Nuclear Information System (INIS)

    Eissa, N.A.; Sanad, A.M.; Youssef, S.M.; El-Henawii, S.A.; Gomaa, S.Sh.; Mostafa, A.G.

    1980-01-01

    A structural study of some sodium borate glasses containing iron was carried out applying ME spectroscopy. Both oxidation and coordination states of iron were investigated under the effect of gradual replacing of sodium carbonate by sodium nitrate in the glass batches. The glasses were melted in porcelain crucibles using an electrically heated furnace at 1000+-10 deg C, then were quenched on a steel plate at room temperature (R.T.). The ME source was 20 mCi radioactive Co-57 in chromium. The obtained ME spectra indicated that at lower sodium nitrate content both Fe 2+ and Fe 3+ are present in these glasses. At moderate concentrations some Fe 3+ ions were separated in a crystalline phase and the rest of the iron ions appeared as ferric ions in glassy state. At high sodium nitrate content only Fe 3+ ions in glassy state were detected. The values of the ME parameters for all iron ions indicated that all of them are in the octahedral coordination state. The density measurements confirm the separation of a crystalline phase at moderate sodium nitrate content. (author)

  7. Surface negative ion production in ion sources

    International Nuclear Information System (INIS)

    Belchenko, Y.

    1993-01-01

    Negative ion sources and the mechanisms for negative ion production are reviewed. Several classes of sources with surface origin of negative ions are examined in detail: surface-plasma sources where ion production occurs on the electrode in contact with the plasma, and ''pure surface'' sources where ion production occurs due to conversion or desorption processes. Negative ion production by backscattering, impact desorption, and electron- and photo-stimulated desorption are discussed. The experimental efficiencies of intense surface negative ion production realized on electrodes contacted with hydrogen-cesium or pure hydrogen gas-discharge plasma are compared. Recent modifications of surface-plasma sources developed for accelerator and fusion applications are reviewed in detail

  8. Design of magnetic coordination complexes for quantum computing.

    Science.gov (United States)

    Aromí, Guillem; Aguilà, David; Gamez, Patrick; Luis, Fernando; Roubeau, Olivier

    2012-01-21

    A very exciting prospect in coordination chemistry is to manipulate spins within magnetic complexes for the realization of quantum logic operations. An introduction to the requirements for a paramagnetic molecule to act as a 2-qubit quantum gate is provided in this tutorial review. We propose synthetic methods aimed at accessing such type of functional molecules, based on ligand design and inorganic synthesis. Two strategies are presented: (i) the first consists in targeting molecules containing a pair of well-defined and weakly coupled paramagnetic metal aggregates, each acting as a carrier of one potential qubit, (ii) the second is the design of dinuclear complexes of anisotropic metal ions, exhibiting dissimilar environments and feeble magnetic coupling. The first systems obtained from this synthetic program are presented here and their properties are discussed.

  9. Movement constraints on interpersonal coordination and communication.

    Science.gov (United States)

    Tolston, Michael T; Shockley, Kevin; Riley, Michael A; Richardson, Michael J

    2014-10-01

    The present study investigated how constraining movement affects interpersonal coordination and joint cognitive performance. Pairs of participants worked cooperatively to solve picture-puzzle tasks in which they conversed to identify differences between pictures in 3 degree-of-constraint conditions: both participants were free to move their hands (free-free; FF); both participants' hands were restrained (restrained-restrained; RR); and the hands of 1 participant were free while the hands of the other participant were restrained (free-restrained; FR). Eye tracking data were collected, and movement was measured at the waist, hand, and head. Data were analyzed using Cross-Recurrence Quantification Analysis (CRQ). Postural sway coordination, gaze coordination, and task performance were predicted to be highest in FF, followed by RR, and then by FR. Results showed the asymmetric FR condition generally exhibited lesser degrees of coordination than the symmetric Conditions FF and RR, and that the patterning of coordination in the symmetric conditions varied across the measured body segments. These results demonstrate that movement restraints affect not only interpersonal postural coordination, but also joint attention. Additionally, significant positive relationships were found between task performance and total amount of anterior-posterior movement measured at the head, hand and waist; number of utterances; and number of differences pairs found in the puzzles. These findings indicate a relationship between movement and task performance consistent with the hypotheses that both interpersonal coordination and cognitive performance are sensitive to local action constraints.

  10. Near-Horizon Geodesics for Astrophysical and Idealised Black Holes: Coordinate Velocity and Coordinate Acceleration

    Directory of Open Access Journals (Sweden)

    Petarpa Boonserm

    2018-05-01

    Full Text Available Geodesics (by definition have an intrinsic 4-acceleration zero. However, when expressed in terms of coordinates, the coordinate acceleration d 2 x i / d t 2 can very easily be non-zero, and the coordinate velocity d x i / d t can behave unexpectedly. The situation becomes extremely delicate in the near-horizon limit—for both astrophysical and idealised black holes—where an inappropriate choice of coordinates can quite easily lead to significant confusion. We shall carefully explore the relative merits of horizon-penetrating versus horizon-non-penetrating coordinates, arguing that in the near-horizon limit the coordinate acceleration d 2 x i / d t 2 is best interpreted in terms of horizon-penetrating coordinates.

  11. Study by magnetic resonance and relaxation of carbon 13 of some paramagnetic coordination complexes

    International Nuclear Information System (INIS)

    Ronfard-Haret, Jean-Claude

    1977-01-01

    This research thesis reports the study of coordination complexes by using NMR. After a brief recall of the theoretical background required for the processing of experimental data (hyper-fine coupling and magnetic resonance, spin density distribution, chemical displacement, dipolar, scalar and electronic relaxation), the author describes the conditions in which experiments have been performed and presents measurement methods (pulsed nuclear magnetic resonance, relaxation time measurement, determination of hyper-fine coupling constants, spectrometers and reactants). The next chapters address the study of different coordination complexes: [(pyridine-N-oxide) 2 Ni(acetylacetonate) 2 ], carbon 13 in alkyl-anilines-Ni II, complexation of 1- and 2-aminonaphthalene by transition ions, complexation of pyridine-N-oxide by the nickel Ni ++ ion in presence of water

  12. A new three-dimensional bis(benzimidazole)-based cadmium(II) coordination polymer

    Science.gov (United States)

    Hao, Shao Yun; Hou, Suo Xia; Hao, Zeng Chuan; Cui, Guang Hua

    2018-01-01

    A new coordination polymer (CP), formulated as [Cd(L)(DCTP)]n (1) (L = 1,1‧-(1,4-butanediyl)bis(2-methylbenzimidazole), H2DCTP = 2,5-dichloroterephthalic acid), was synthesized under hydrothermal conditions and the performance as luminescent probe was also investigated. Single-crystal X-ray diffraction reveals CP 1 is a 3D 3-fold interpenetrated dia network with large well-defined pores. It is found that CP 1 revealed highly sensitive luminescence sensing for Fe3 + ions in acetonitrile solution with a high quenching efficiency of KSV = 2541.238 L·mol- 1 and a low detection limit of 3.2 μM (S/N = 3). Moreover, the photocatalytic efficiency of 1 for degradation of methylene blue could reach 82.8% after 135 min. Therefore, this coordination polymer could be viewed as multifunctional material for selectively sensing Fe3 + ions and effectively degrading dyes.

  13. Tetraphenylborate as a non - coordinating anion in hexamethyphosphoramine (HMPA) and tetramethylurea (TMU) lanthanide complexes

    International Nuclear Information System (INIS)

    Kuya, M.K.; Serra, O.A.

    1979-01-01

    The synthesis of the HMPA and TMU complexes of rare earth ions using tetraphenylborate, a non-coordinating anion, as a precipitating agent is reported. The compounds obtained conform to the general formula LnL 6 (B PHI 4 ) 3 (Ln=Ce-Lu,Y, whe L=HMPA and Ln=nd, Sm,Eu,Er,Y when L=TMU). The characterization by conductance, infrared and visible measurements is consistent with the lack of donor capacity of tetraphenylborate ion, and with a coordination number six in a nearly octahedral site symmetry for both type of compounds. The TMU complexes seem to be more stable than the corresponding HMPA ones, indicating that the steric factor can be more important than the donor capacity of the ligands in this type of lanthanide compounds. (author) [pt

  14. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 1 covers papers on the advances of gas phase ion chemistry. The book discusses the advances in flow tubes and the measurement of ion-molecule rate coefficients and product distributions; the ion chemistry of the earth's atmosphere; and the classical ion-molecule collision theory. The text also describes statistical methods in reaction dynamics; the state selection by photoion-photoelectron coincidence; and the effects of temperature and pressure in the kinetics of ion-molecule reactions. The energy distribution in the unimolecular decomposition of ions, as well

  15. Coordination Logic for Repulsive Resolution Maneuvers

    Science.gov (United States)

    Narkawicz, Anthony J.; Munoz, Cesar A.; Dutle, Aaron M.

    2016-01-01

    This paper presents an algorithm for determining the direction an aircraft should maneuver in the event of a potential conflict with another aircraft. The algorithm is implicitly coordinated, meaning that with perfectly reliable computations and information, it will in- dependently provide directional information that is guaranteed to be coordinated without any additional information exchange or direct communication. The logic is inspired by the logic of TCAS II, the airborne system designed to reduce the risk of mid-air collisions between aircraft. TCAS II provides pilots with only vertical resolution advice, while the proposed algorithm, using a similar logic, provides implicitly coordinated vertical and horizontal directional advice.

  16. 9th Conference on Coordinate Measuring Machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo; Dorph, Pernille

    2001-01-01

    This one-day conference on coordinate measuring machines is the 9th in a row of conferences organised in connection with the Danish CMM Club, a users’ group regarding CMMs that has existed in Denmark since 1994. The Danish CMM Club was founded by the Department of Manufacturing Engineering...... termination of the second lifetime cycle of the club. This conference treates the traceability of geometrical measurements with particular reference to those obtained using coordinate measuring machines. A number of on-going activities and new achievements in coordinate metrology are presented by European...

  17. Distributed Coordination of Household Electricity Consumption

    DEFF Research Database (Denmark)

    Juelsgaard, Morten; Teixeira, Andre; Johansson, Mikael

    2014-01-01

    This work presents a distributed framework for coordination of flexible electricity consumption for a number of households in the distribution grid. We conduct coordination with the purpose of minimizing a trade-off between individual concerns about discomfort and electricity cost, on the one hand......, and joint concerns about grid losses and voltage variations on the other. Our contribution is mainly to illustrate how to conduct distributed coordination when consumers are jointly coupled by grid losses and voltage variations. In addition we illustrate the benefit of including consumption management...... in the grid operation, and how different types of consumption may present various benefits....

  18. Overview of theory and simulations in the Heavy Ion Fusion Science Virtual National Laboratory

    Science.gov (United States)

    Friedman, Alex

    2007-07-01

    The Heavy Ion Fusion Science Virtual National Laboratory (HIFS-VNL) is a collaboration of Lawrence Berkeley National Laboratory, Lawrence Livermore National Laboratory, and Princeton Plasma Physics Laboratory. These laboratories, in cooperation with researchers at other institutions, are carrying out a coordinated effort to apply intense ion beams as drivers for studies of the physics of matter at extreme conditions, and ultimately for inertial fusion energy. Progress on this endeavor depends upon coordinated application of experiments, theory, and simulations. This paper describes the state of the art, with an emphasis on the coordination of modeling and experiment; developments in the simulation tools, and in the methods that underly them, are also treated.

  19. Analysis of coordination polyhedra symmetry in pyrochlore and zirconolite structures

    International Nuclear Information System (INIS)

    Troole, A.Y.; Stefanovsky, S.V.

    1999-01-01

    Zirconolite and pyrochlore are considered as promising host phases for high level waste (HLW). However, correct information on substitution mechanisms, forms of dopants incorporation in their structures and distortions in coordination polyhedra is presently unavailable. To clarify these points the authors use the electron paramagnetic resonance (EPR). Pyrochlore and three of zirconolite polytypes: zirconolite-2M, zirconolite-3T, and zirconolite-3O are considered. Pyrochlore is the parent structure for zirconolite since any zirconolite variety is produced by means of distortion of the initial pyrochlore structure. Space groups of pyrochlore and basic polymorphous zirconolite varieties found from XRD and TEM data, as well as interatomic distances and angles, were taken from reference data. This allows the determination of the most probable sites for impurities, substitution mechanisms, and local symmetry of coordination polyhedra (initial). Ions chosen for EPR were Gd(III) as an analog of trivalent rare earth and actinide elements which are also occurred in HLW and Fe(III) as a typical corrosion product which occurs in all HLW. For Gd(III) a strong ligand field approximation is suggested, theoretical computation using perturbation theory in this approximation has been carried out. All the non-diagonal members plus magnetic field were chosen as perturbation and formulate for transition frequencies, estimations of fine structure and g-factors parameters in the given approximation have been obtained

  20. Coordination phenomena of cationic uranium(iv) complexes

    International Nuclear Information System (INIS)

    Rohwer, H.E.

    1974-12-01

    The coordination properties of the cationic uranium(IV) complexes UCl 3 + , UCl 2 2+ , UCl 3+ , and U 4+ were studied in a non-aqueous medium in the presence of perchlorate as counterion which, however, proved to coordinate to a much greater extent than expected. The strong neutral ligand, HMPA, could successively displace some of the perchlorates. An electrostatic model for the U(CIO 4 ) 4 -HMPA-acetone system compared favourably with the actual results. This emphasized the high ionic content in the bonding with actenoid cations, even with such a high charge as +4 . These conclusions are in agreement with studies 75 in which nitrate acts as counter ion. Correspondingly the uranium (IV) chemistry is characterized by the absence of typical 3d-organometallic chemistry, for example, strong bonding with CO, P(Phi) 3 etc, which strongly depends on covalent bonding. This stresses the fact that the d and f orbitals are not readily available for strong bond formation with the actenoids. 76

  1. Coordination Environment of Copper Sites in Cu-CHA Zeolite Investigated by Electron Paramagnetic Resonance

    DEFF Research Database (Denmark)

    Godiksen, Anita; Stappen, Frederick N.; Vennestrøm, Peter N. R.

    2014-01-01

    Cu-CHA combines high activity for the selective catalytic reduction (SCR) reaction with better hydrothermal stability and selectivity compared to other copper-substituted zeolites. At the same time Cu-CHA offers an opportunity for unraveling the coordination environment of the copper centers since...... the zeolite framework is very simple with only one crystallographically independent tetrahedral site (T-site). In this study the results of an X-band electron paramagnetic resonance (EPR) investigation of ion-exchanged Cu-CHA zeolite with a Si/Al ratio of 14 ± 1 is presented. Different dehydration treatments...... of the EPR silent monomeric Cu2+ in copper-substituted zeolites is suggested to be copper species with an approximate trigonal coordination sphere appearing during the dehydration. After complete dehydration at 250 °C the majority of the EPR silent Cu2+ is suggested to exist as Cu2+–OH– coordinated to two...

  2. From Coordination Cages to a Stable Crystalline Porous Hydrogen-Bonded Framework

    Energy Technology Data Exchange (ETDEWEB)

    Ju, Zhanfeng [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Liu, Guoliang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Yu-Sheng [ChemMatCARS, Center for Advanced Radiation Sources, The University of Chicago, Argonne Illinois 60439 USA; Yuan, Daqiang [State Key Lab of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou 350002 P. R. China; Chen, Banglin [Department of Chemistry, University of Texas at San Antonio, San Antonio Texas 78249-0698 USA

    2017-03-20

    A stable framework has been constructed through multiple charge-assisted H-bonds between cationic coordination cages and chloride ions. The framework maintained its original structure upon desolvation, which has been established by single-crystal structure analysis. This is the first fully characterized stable porous framework based on coordination cages after desolvation, with a moderately high Brunauer–Emmett–Teller (BET) surface area of 1201 m2 g-1. This work will not only give a light to construct stable porous frameworks based on coordination cages and thus broaden their applications, but will also provide a new avenue to the assembly of other porous materials such as porous organic cages and hydrogen-bonded organic frameworks (HOFs) through non covalent bonds.

  3. Emission properties of Sm(III) complex having ten-coordination structure

    International Nuclear Information System (INIS)

    Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi

    2008-01-01

    Sammarium(III) complex having ten-coordination structure, bis-(1,10-phenanthroline)tris-(hexafluoroacetylacetonato)samarium(III) (Sm(hfa) 3 (phen) 2 ) was prepared by chelation of tris-(hexafluoroacetylacetonato) samarium(III) (Sm(hfa) 3 (H 2 O) 2 ) with 1,10-phenantroline (phen). The characteristic ten-coordination structure of Sm(hfa) 3 (phen) 2 was determined by 1 H NMR and elemental analyses. Strong deep-red emission (λ max =643 nm) and narrow emission band (FWHM=5 nm) of Sm(hfa) 3 (phen) 2 originated from electronic allowed transition from characteristics ten coordinate structure. The emission quantum yields Sm(hfa) 3 (phen) 2 excited at absorption bands of ligands and Sm(III) ion were found to be 0.36 and 1.4%, respectively

  4. Laser ion sources

    Energy Technology Data Exchange (ETDEWEB)

    Bykovskij, Yu

    1979-02-01

    The characteristics a laser source of multiply-ionized ions are described with regard to the interaction of laser radiation and matter, ion energy spectrum, angular ion distribution. The amount of multiple-ionization ions is evaluated. Out of laser source applications a laser injector of multiple-ionization ions and nuclei, laser mass spectrometry, laser X-ray microradiography, and a laser neutron generators are described.

  5. Structure and electron-ion correlation in liquid Mg

    Energy Technology Data Exchange (ETDEWEB)

    Tahara, Shuta [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Fujii, Hiroyuki [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Yokota, Yukinobu [Graduate School of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Kawakita, Yukinobu [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan); Kohara, Shinji [Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Takeda, Shin' ichi [Department of Physics, Faculty of Sciences, Kyushu University, 4-2-1 Ropponmatsu Chuo-ku, Fukuoka 810-8560 (Japan)]. E-mail: takeda@rc.kyushu-u.ac.jp

    2006-11-15

    For liquid Mg at 700 deg. C, structure factors were obtained from both neutron and X-ray diffraction measurements. The bond angle and coordination number distributions were derived from the reverse Monte Carlo analysis. By a combination of both structure factors, charge density function and electron-ion partial structure factor were deduced.

  6. Surrey Ion Beam Centre: the EPSRC MRF for ion beam applications - 01002

    International Nuclear Information System (INIS)

    Webb, R.P.

    2016-01-01

    The SIBC (Surrey Ion Beam Centre) is an element of the Virtual Ion Beam Centre that coordinates 3 U.K. experimental facilities: SIBC (University of Surrey) for implantation and ion beam applications, Miami and MEIS facility (University of Huddersfield) and gamma ray and neutron irradiation emulation facility (University of Manchester). The SIBC works actively with industry, developing bespoke processes and services, particularly for the photonics industry and provides ion beam facilities to about 20 companies across the world. It operates a stringent quality control program and is one of the few ion beam laboratories in the world to operate under ISO 9001 certification. The equipment of SIBC is presented and some applications of ion beam analysis concerning the identification of gunshot residues, the determination of the origin of a painting, the analysis of proteins are described. Different techniques such as PIXE (Particle Induced X-ray Emission), RBS (Rutherford Backscattering Spectroscopy), NRA (Nuclear Reaction Analysis), SIMS (Secondary Ion Mass Spectrometry) are also explained in the slides of the presentation that have been added at the end of the paper

  7. Simultaneous detection and removal of radioisotopes with modified alginate beads containing an azo-based probe using RGB coordinates

    International Nuclear Information System (INIS)

    Jo, Ara; Jang, Geunseok; Namgung, Ho; Kim, Choongho; Kim, Daigeun; Kim, Yujun; Kim, Jongho; Lee, Taek Seung

    2015-01-01

    Highlights: • Modified alginate with azo-based probe (ABO) was synthesized by a reaction between sodium alginate and azo-based probe (BO2). • BO2 was found to be a good probe molecule for radioisotopes using colorimetric analysis. • Detection of Co 2+ and Sr 2+ was mainly carried out via interaction between BO2 and metal ions. • Simultaneous removal of radioisotopes was assessed by the ion-exchange of carboxylate groups in sodium alginate. • The alginate beads with dual functions of detection and removal of metal ions are successfully accomplished. - Abstract: We prepared alginate beads that were modified with an azo-based probe molecule to monitor simultaneously the removal (by alginate) and probing (by the azo-probe molecule) of radioisotopes such as cobalt, strontium, and cesium ions. As an azo-probe molecule, Basic Orange 2 (BO2) was immobilized to the alginate bead. The BO2 in aqueous solution exhibited a slight red shift in absorption with a change in color from orange to dark orange upon addition of cobalt and strontium ions. In contrast, the color of BO2 did not change upon exposure to cesium ions. Thus, the covalently embedded BO2 in alginate beads could adsorb cobalt and strontium ions resulting in recognizable color change of the beads, which was induced by the formation of a complex between BO2 and metal ions. The color changes of the beads in the presence of metal ions were determined quantitatively using RGB color coordinate values. In addition to effectively removing metal ions, the colorimetric coordinate method provides a convenient and simple sensing technique for naked-eye metal ion detection.

  8. Ion Beam Propulsion Study

    Science.gov (United States)

    2008-01-01

    The Ion Beam Propulsion Study was a joint high-level study between the Applied Physics Laboratory operated by NASA and ASRC Aerospace at Kennedy Space Center, Florida, and Berkeley Scientific, Berkeley, California. The results were promising and suggested that work should continue if future funding becomes available. The application of ion thrusters for spacecraft propulsion is limited to quite modest ion sources with similarly modest ion beam parameters because of the mass penalty associated with the ion source and its power supply system. Also, the ion source technology has not been able to provide very high-power ion beams. Small ion beam propulsion systems were used with considerable success. Ion propulsion systems brought into practice use an onboard ion source to form an energetic ion beam, typically Xe+ ions, as the propellant. Such systems were used for steering and correction of telecommunication satellites and as the main thruster for the Deep Space 1 demonstration mission. In recent years, "giant" ion sources were developed for the controlled-fusion research effort worldwide, with beam parameters many orders of magnitude greater than the tiny ones of conventional space thruster application. The advent of such huge ion beam sources and the need for advanced propulsion systems for exploration of the solar system suggest a fresh look at ion beam propulsion, now with the giant fusion sources in mind.

  9. Mass transport and chloride ion complexes in occluded cell

    International Nuclear Information System (INIS)

    Tsuru, T.; Hashimoto, K.; Nishikata, A.; Haruyama, S.

    1989-01-01

    Changes in the transport and the concentration of ions in a model occluded cell are traced during galvanostatic anodic polarization of a mild steel and a stainless steel. Apparent transport numbers of anions and cations, which were estimated from chemical analysis of solution, were different from those calculated from known mobility data. At the initial stage of the polarization, the transport number of chloride ion was almost unity, and then decreased gradually. For the mild steel, the concentration of total chloride ion accumulated in the occluded compartment increased with the anodic charge passed, and the amount of chloride ion complexed with cations also increased. The chloride complex was estimated as FeCl + . For SUS304 stainless steel, the total chloride ion increased, however, the free chloride ion, which responded to an Ag/AgCl electrode remained approximately 2 mol/dm 3 . Therefore, most of the chloride ions transferred into the occluded cell formed complex ions, such as CrCl n 3-n . The number of chloride ion coordinated to ferrous and chromic ions was estimated from the data fo mass transport for the case of the mild steel and the stainless steel. (author) 9 refs., 14 figs

  10. Superfield extended BRST quantization in general coordinates

    OpenAIRE

    Geyer, B.; Gitman, D. M.; Lavrov, P. M.; Moshin, P. Yu.

    2003-01-01

    We propose a superfield formalism of Lagrangian BRST-antiBRST quantization of arbitrary gauge theories in general coordinates with the base manifold of fields and antifields desribed in terms of both bosonic and fermionic variables.

  11. Modeling, Control and Coordination of Helicopter Systems

    CERN Document Server

    Ren, Beibei; Chen, Chang; Fua, Cheng-Heng; Lee, Tong Heng

    2012-01-01

    Modeling, Control and Coordination of Helicopter Systems provides a comprehensive treatment of helicopter systems, ranging from related nonlinear flight dynamic modeling and stability analysis to advanced control design for single helicopter systems, and also covers issues related to the coordination and formation control of multiple helicopter systems to achieve high performance tasks. Ensuring stability in helicopter flight is a challenging problem for nonlinear control design and development. This book is a valuable reference on modeling, control and coordination of helicopter systems,providing readers with practical solutions for the problems that still plague helicopter system design and implementation. Readers will gain a complete picture of helicopters at the systems level, as well as a better understanding of the technical intricacies involved. This book also: Presents a complete picture of modeling, control and coordination for helicopter systems Provides a modeling platform for a general class of ro...

  12. Axisymmetric magnetohydrodynamic equilibria in local polar coordinates

    International Nuclear Information System (INIS)

    Clemente, R.A.

    1982-01-01

    The Grad--Shafranov equation for an ideal magnetohydrodynamic axisymmetric toroidal configuration is solved analytically in a local polar coordinate system using a novel method which produces solutions valid up to the second order in the inverse aspect ratio expansion

  13. Selective Placement Program Coordinator (SPPC) Directory

    Data.gov (United States)

    Office of Personnel Management — List of the Selective Placement Program Coordinators (SPPC) in Federal agencies, updated as needed. Users can filter the list by choosing a state and/or agency name.

  14. Unraveling interlimb interactions underlying bimanual coordination

    NARCIS (Netherlands)

    Ridderikhoff, A.; Daffertshofer, A.; Peper, C.E.; Beek, P.J.

    2005-01-01

    Three sources of interlimb interactions have been postulated to underlie the stability characteristics of bimanual coordination but have never been evaluated in conjunction: integrated timing of feedforward control signals, phase entrainment by contralateral afference, and timing corrections based

  15. The Schwarzschild metric: It's the coordinates, stupid!

    Science.gov (United States)

    Fromholz, Pierre; Poisson, Eric; Will, Clifford M.

    2014-04-01

    Every general relativity textbook emphasizes that coordinates have no physical meaning. Nevertheless, a coordinate choice must be made in order to carry out real calculations, and that choice can make the difference between a calculation that is simple and one that is a mess. We give a concrete illustration of the maxim that "coordinates matter" using the exact Schwarzschild solution for a vacuum, static spherical spacetime. We review the standard textbook derivation, Schwarzschild's original 1916 derivation, and a derivation using the Landau-Lifshitz formulation of the Einstein field equations. The last derivation is much more complicated, has one aspect for which we have been unable to find a solution, and gives an explicit illustration of the fact that the Schwarzschild geometry can be described in infinitely many coordinate systems.

  16. HYbrid Coordinate Ocean Model (HYCOM): Global

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Global HYbrid Coordinate Ocean Model (HYCOM) and U.S. Navy Coupled Ocean Data Assimilation (NCODA) 3-day, daily forecast at approximately 9-km (1/12-degree)...

  17. Human Resources Coordinator | IDRC - International Development ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    The Human Resources Coordinator supports the HR Business Partner in the delivery of ... of various reports for HR Business Partners and HR management. ... services and information to candidates applying on job openings in IDRC, ...

  18. Coordination in Categorical Compositional Distributional Semantics

    Directory of Open Access Journals (Sweden)

    Dimitri Kartsaklis

    2016-08-01

    Full Text Available An open problem with categorical compositional distributional semantics is the representation of words that are considered semantically vacuous from a distributional perspective, such as determiners, prepositions, relative pronouns or coordinators. This paper deals with the topic of coordination between identical syntactic types, which accounts for the majority of coordination cases in language. By exploiting the compact closed structure of the underlying category and Frobenius operators canonically induced over the fixed basis of finite-dimensional vector spaces, we provide a morphism as representation of a coordinator tensor, and we show how it lifts from atomic types to compound types. Linguistic intuitions are provided, and the importance of the Frobenius operators as an addition to the compact closed setting with regard to language is discussed.

  19. Coordination Approaches for Complex Software Systems

    NARCIS (Netherlands)

    Bosse, T.; Hoogendoorn, M.; Treur, J.

    2006-01-01

    This document presents the results of a collaboration between the Vrije Universiteit Amsterdam, Department of Artificial Intelligence and Force Vision to investigate coordination approaches for complex software systems. The project was funded by Force Vision.

  20. Coordination Polymer Gels by Electron Beam

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ji Ha; Cho, Young Je; Jung, Jong Hwa [Gyeongsang National Univ., Jinju (Korea, Republic of)

    2011-07-01

    Hydrogenation of a pyridine derivative possessing tetrazole moieties as end groups, without long alkyl chain groups, results in the formation of a Mg(NO{sub 3}){sub 2} coordination polymer gel. The polymer exhibits a strong fluorescence enhancement upon gel formation. 1 can also be gloated with a variety of magnesium anions such as SO{sub 4}{sup 2-}, NO{sub 3}{sup -}, Cl{sup -}, Br{sup -} and I{sup -}, indicating that the coordination polymer gel formation of 1 does not strongly depends on anions. The Seam and ABM images of Mg{sup 2+} coordination polymer gel 1 display a flabbier network with several micrometers long, widths in the range 60-70 nm and thicknesses of about 3 nm. In addition, photophysical studies show that the hydrogel exhibits a typical {pi}-{pi} transition and gives rise to high fluorescence behavior. The coordination polymer hydrogel exhibits viscoelastic behavior as evidenced from the rheological studies.

  1. Coordinating Transit Transfers in Real Time

    Science.gov (United States)

    2016-05-06

    Transfers are a major source of travel time variability for transit passengers. Coordinating transfers between transit routes in real time can reduce passenger waiting times and travel time variability, but these benefits need to be contrasted with t...

  2. Junior Information and Records Coordinator | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Information and Records Operations (IRO) Program Support ... Coordinator to support him/her performing day to day business assigned to this position. ... Digitization and digital assets management are main tasks to guarantee that digital ...

  3. Process Coordination and Policy Officer | IDRC - International ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Such liaison aims to ensure that the operational aspects and requirements are taken into account. ... Business Process Coordination and Change Management ... Liaises with the Resources Planning and Development Officer of the Office of ...

  4. FENICIA: a generic plasma simulation code using a flux-independent field-aligned coordinate approach

    International Nuclear Information System (INIS)

    Hariri, Farah

    2013-01-01

    The primary thrust of this work is the development and implementation of a new approach to the problem of field-aligned coordinates in magnetized plasma turbulence simulations called the FCI approach (Flux-Coordinate Independent). The method exploits the elongated nature of micro-instability driven turbulence which typically has perpendicular scales on the order of a few ion gyro-radii, and parallel scales on the order of the machine size. Mathematically speaking, it relies on local transformations that align a suitable coordinate to the magnetic field to allow efficient computation of the parallel derivative. However, it does not rely on flux coordinates, which permits discretizing any given field on a regular grid in the natural coordinates such as (x, y, z) in the cylindrical limit. The new method has a number of advantages over methods constructed starting from flux coordinates, allowing for more flexible coding in a variety of situations including X-point configurations. In light of these findings, a plasma simulation code FENICIA has been developed based on the FCI approach with the ability to tackle a wide class of physical models. The code has been verified on several 3D test models. The accuracy of the approach is tested in particular with respect to the question of spurious radial transport. Tests on 3D models of the drift wave propagation and of the Ion Temperature Gradient (ITG) instability in cylindrical geometry in the linear regime demonstrate again the high quality of the numerical method. Finally, the FCI approach is shown to be able to deal with an X-point configuration such as one with a magnetic island with good convergence and conservation properties. (author) [fr

  5. Desynchronizing electrical and sensory coordinated reset neuromodulation

    OpenAIRE

    Popovych, Oleksandr V.; Tass, Peter A.

    2012-01-01

    Coordinated reset (CR) stimulation is a desynchronizing stimulation technique based on timely coordinated phase resets of sub-populations of a synchronized neuronal ensemble. It has initially been computationally developed for electrical deep brain stimulation (DBS), to enable an effective desynchronization and unlearning of pathological synchrony and connectivity (anti-kindling). Here we computationally show for ensembles of spiking and bursting model neurons interacting via excitatory and i...

  6. Desynchronizing Electrical and Sensory Coordinated Reset Neuromodulation

    OpenAIRE

    Oleksandr V. Popovych; Peter A. Tass; Peter A. Tass

    2012-01-01

    Coordinated reset (CR) stimulation is a desynchronizing stimulation technique based on timely coordinated phase resets of sub-populations of a synchronized neuronal ensemble. It has initially been computationally developed for electrical deep brain stimulation (DBS),to enable an effective desynchronization and unlearning of pathological synchrony and connectivity (anti-kindling). Here we computationally show for ensembles of spiking and bursting model neurons interacting via excitatory and in...

  7. Collaborative Supply Chain Planning and Coordination

    DEFF Research Database (Denmark)

    Wong, Chee Yew

    products, differentiating retailers, accurate response (with forecast adjustment and premature replenishment), quick response (order-penetration-point relocation and lead-time reduction). These analyses extend the Fisher Model of responsiveness and refine six propositions or principles of responsiveness...... processes, particularly the behaviour of risk-taking/avoidance, conflict resolutions, and self-interest. All these lead to conclusion of five propositions or principles of supply chain coordination, and the theory of coordination process and behaviour. Combining the propositions of responsiveness...

  8. Trends in coordination and transmission service

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    Investor-owned utilities increasingly are taking significant advantage of the benefits available from coordination transactions and transmission service. This chapter describes Edison Electric Institute (EEI's) estimate as to the growth in sales-for-resale (including coordination service) over the past two decades. With respect to transmission service, this chapter describes the significant growth in both the level of transmission service and the number of transmission agreements

  9. Co-ordinating Product Developing Activities

    DEFF Research Database (Denmark)

    Terkelsen, Søren Bendix

    1996-01-01

    The paper contains a presentation of research methods to be used in case studies in product development and a presentation on how to deal with Design Co-ordination according to litterature......The paper contains a presentation of research methods to be used in case studies in product development and a presentation on how to deal with Design Co-ordination according to litterature...

  10. Traceability and uncertainty estimation in coordinate metrology

    DEFF Research Database (Denmark)

    Hansen, Hans Nørgaard; Savio, Enrico; De Chiffre, Leonardo

    2001-01-01

    National and international standards have defined performance verification procedures for coordinate measuring machines (CMMs) that typically involve their ability to measure calibrated lengths and to a certain extent form. It is recognised that, without further analysis or testing, these results...... are required. Depending on the requirements for uncertainty level, different approaches may be adopted to achieve traceability. Especially in the case of complex measurement situations and workpieces the procedures are not trivial. This paper discusses the establishment of traceability in coordinate metrology...

  11. Control Coordination of Large Scale Hereditary Systems.

    Science.gov (United States)

    1985-07-01

    Theory - A Hilbert Space Approach, (Academic Press, New York, 1982). [4] W. Findeisen , F. N. Bailey, M. Brdys, K Malinowski, P. Tatjewski and A. Wozniak... Findeisen et al. (1980), in the sense that local models are used in the design of component control laws and a higher level coordination problem is...Vol. 1, pp. 590-591, 1985. 3. W. Findeisen , F.N. Bailley, M. Brdys, K. Malinowski, P. Tatjewski and A. Wozniak, Control Coordination in Hierarchical

  12. Negative ion sources

    International Nuclear Information System (INIS)

    Ishikawa, Junzo; Takagi, Toshinori

    1983-01-01

    Negative ion sources have been originally developed at the request of tandem electrostatic accelerators, and hundreds of nA to several μA negative ion current has been obtained so far for various elements. Recently, the development of large current hydrogen negative ion sources has been demanded from the standpoint of the heating by neutral particle beam injection in nuclear fusion reactors. On the other hand, the physical properties of negative ions are interesting in the thin film formation using ions. Anyway, it is the present status that the mechanism of negative ion action has not been so fully investigated as positive ions because the history of negative ion sources is short. In this report, the many mechanisms about the generation of negative ions proposed so far are described about negative ion generating mechanism, negative ion source plasma, and negative ion generation on metal surfaces. As a result, negative ion sources are roughly divided into two schemes, plasma extraction and secondary ion extraction, and the former is further classified into the PIG ion source and its variation and Duoplasmatron and its variation; while the latter into reflecting and sputtering types. In the second half of the report, the practical negative ion sources of each scheme are described. If the mechanism of negative ion generation will be investigated more in detail and the development will be continued under the unified know-how as negative ion sources in future, the development of negative ion sources with which large current can be obtained for any element is expected. (Wakatsuki, Y.)

  13. IGUN-A program for the simulation of positive ion extraction including magnetic fields

    International Nuclear Information System (INIS)

    Becker, R.; Herrmannsfeldt, W.B.

    1992-01-01

    IGUN is a program for the simulation of positive ion extraction from plasmas. It is based on the well known program EGUN for the calculation of electron and ion trajectories in electron guns and lenses. The mathematical treatment of the plasma sheath is based on a simple analytical model, which provides a numerically stable calculation of the sheath potentials. In contrast to other ion extraction programs, IGUN is able to determine the extracted ion current in succeeding cycles of iteration by itself. However, it is also possible to set values of current, plasma density, or ion current density. Either axisymmetric or rectangular coordinates can be used, including axisymmetric or transverse magnetic fields

  14. igun - A program for the simulation of positive ion extraction including magnetic fields

    Science.gov (United States)

    Becker, R.; Herrmannsfeldt, W. B.

    1992-04-01

    igun is a program for the simulation of positive ion extraction from plasmas. It is based on the well known program egun for the calculation of electron and ion trajectories in electron guns and lenses. The mathematical treatment of the plasma sheath is based on a simple analytical model, which provides a numerically stable calculation of the sheath potentials. In contrast to other ion extraction programs, igun is able to determine the extracted ion current in succeeding cycles of iteration by itself. However, it is also possible to set values of current, plasma density, or ion current density. Either axisymmetric or rectangular coordinates can be used, including axisymmetric or transverse magnetic fields.

  15. Coordinated supply chain dynamic production planning model

    Science.gov (United States)

    Chandra, Charu; Grabis, Janis

    2001-10-01

    Coordination of different and often contradicting interests of individual supply chain members is one of the important issues in supply chain management because the individual members can not succeed without success of the supply chain and vice versa. This paper investigates a supply chain dynamic production planning problem with emphasis on coordination. A planning problem is formally described using a supply chain kernel, which defines supply chain configuration, management policies, available resources and objectives both at supply chain or macro and supply chain member or micro levels. The coordinated model is solved in order to balance decisions made at the macro and micro levels and members' profitability is used as the coordination criterion. The coordinated model is used to determine inventory levels and production capacity across the supply chain. Application of the coordinated model distributes costs burden uniformly among supply chain members and preserves overall efficiency of the supply chain. Influence of the demand series uncertainty is investigated. The production planning model is a part of the integrated supply chain decision modeling system, which is shared among the supply chain members across the Internet.

  16. Ion sources for heavy ion fusion

    International Nuclear Information System (INIS)

    Yu, S.S.; Eylon, S.; Chupp, W.

    1995-09-01

    The development of ion sources for heavy ion fusion will be reported with particular emphasis on a recently built 2 MV injector. The new injector is based on an electrostatic quadrupole configuration, and has produced pulsed K + ions of 950 mA peak from a 6.7 inch curved alumino silicate source. The ion beam has reached 2.3 MV with an energy flatness of ±0.2% over 1 micros. The measured normalized edge emittance of less than 1 π mm-mr is close to the source temperature limit. The design, construction, performance, and comparisons with three-dimensional particle-in-cell simulations will be described

  17. Electron Beam Ion Sources

    CERN Document Server

    Zschornacka, G.; Thorn, A.

    2013-12-16

    Electron beam ion sources (EBISs) are ion sources that work based on the principle of electron impact ionization, allowing the production of very highly charged ions. The ions produced can be extracted as a DC ion beam as well as ion pulses of different time structures. In comparison to most of the other known ion sources, EBISs feature ion beams with very good beam emittances and a low energy spread. Furthermore, EBISs are excellent sources of photons (X-rays, ultraviolet, extreme ultraviolet, visible light) from highly charged ions. This chapter gives an overview of EBIS physics, the principle of operation, and the known technical solutions. Using examples, the performance of EBISs as well as their applications in various fields of basic research, technology and medicine are discussed.

  18. Functionalization of a heteroditopic cryptand: Exocyclic coordination ...

    Indian Academy of Sciences (India)

    Administrator

    Catecholate ligands with first-row transition metal ions as well as many heavier transition and post-transition metal ions have received enormous attention in recent years. Fe(III) forms a tris-catecholate complex with the highest formation constant (logKf » 52) of any iron chelate ever determined. A heteroditopic cryptand is ...

  19. Minor Actinide Separations Using Ion Exchangers Or Ionic Liquids

    International Nuclear Information System (INIS)

    Hobbs, D.; Visser, A.; Bridges, N.

    2011-01-01

    This project seeks to determine if (1) inorganic-based ion exchange materials or (2) electrochemical methods in ionic liquids can be exploited to provide effective Am and Cm separations. Specifically, we seek to understand the fundamental structural and chemical factors responsible for the selectivity of inorganic-based ion-exchange materials for actinide and lanthanide ions. Furthermore, we seek to determine whether ionic liquids can serve as the electrolyte that would enable formation of higher oxidation states of Am and other actinides. Experiments indicated that pH, presence of complexants and Am oxidation state exhibit significant influence on the uptake of actinides and lanthanides by layered sodium titanate and hybrid zirconium and tin phosphonate ion exchangers. The affinity of the ion exchangers increased with increasing pH. Greater selectivity among Ln(III) ions with sodium titanate materials occurs at a pH close to the isoelectric potential of the ion exchanger. The addition of DTPA decreased uptake of Am and Ln, whereas the addition of TPEN generally increases uptake of Am and Ln ions by sodium titanate. Testing confirmed two different methods for producing Am(IV) by oxidation of Am(III) in ionic liquids (ILs). Experimental results suggest that the unique coordination environment of ionic liquids inhibits the direct electrochemical oxidation of Am(III). The non-coordinating environment increases the oxidation potential to a higher value, while making it difficult to remove the inner coordination of water. Both confirmed cases of Am(IV) were from the in-situ formation of strong chemical oxidizers.

  20. Ions and light

    CERN Document Server

    Bowers, Michael T

    2013-01-01

    Gas Phase Ion Chemistry, Volume 3: Ions and Light discusses how ions are formed by electron impact, ion-molecule reactions, or electrical discharge. This book discusses the use of light emitted by excited molecules to characterize either the chemistry that formed the excited ion, the structure of the excited ion, or both.Organized into 10 chapters, this volume begins with an overview of the extension of the classical flowing afterglow technique to include infrared and chemiluminescence and laser-induced fluorescence detection. This text then examines the experiments involving molecules that ar

  1. Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts

    Science.gov (United States)

    Yadav, Sushma; Chandra, Amalendu

    2017-12-01

    We have investigated the characteristics of preferential solvation of ions, structure of solvation shells, ion pairing, and dynamics of aqueous solutions of divalent alkaline-earth metal nitrate salts at varying concentration by means of molecular dynamics simulations. Hydration shell structures and the extent of preferential solvation of the metal and nitrate ions in the solutions are investigated through calculations of radial distribution functions, tetrahedral ordering, and also spatial distribution functions. The Mg2+ ions are found to form solvent separated ion-pairs while the Ca2+ and Sr2+ ions form contact ion pairs with the nitrate ions. These findings are further corroborated by excess coordination numbers calculated through Kirkwood-Buff G factors for different ion-ion and ion-water pairs. The ion-pairing propensity is found to be in the order of Mg(NO3) 2 lead to the presence of substantial dynamical heterogeneity in these solutions of strongly interacting ions. The current study helps us to understand the molecular details of hydration structure, ion pairing, and dynamics of water in the solvation shells and also of ion diffusion in aqueous solutions of divalent metal nitrate salts.

  2. Homo- and heterodinuclear coordination polymers based on a tritopic cyclam bis-terpyridine unit: Structure and rheological properties

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Li; Fan, Jiangxia; Ren, Yong; Xiong, Kun [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Yan, Minhao, E-mail: yanminhao@swust.edu.cn [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Tuo, Xianguo, E-mail: tuoxg@swust.edu.cn [Laboratory of National Defense for Radioactive Waste and Environmental Security, Southwest University of Science and Technology, Mianyang 621010 (China); Terech, Pierre [SPrAM, UMR CEA/CNRS/UJF-Grenoble 1, INAC, Grenoble F-38054 (France); Royal, Guy [Université Joseph Fourier Grenoble I, Département de Chimie Moléculaire, UMR CNRS-5250, Institut de Chimie Moléculaire de Grenoble, FR CNRS-2607, BP 53, 38041 Grenoble Cedex 9 (France)

    2015-03-01

    An innovative coordination polymer based on a tritopic ligand having the bis-terpyridine cyclam (CHTT) unit is explored. Homo- or heteronuclear 1D coordination polymers can be formed with bivalent metal ions such as Co(II) and Ni(II) in solvent DMF. Creep-recovery curves of the (Co{sup II}){sub 2}CHTT gels formed from 1D coordination polymers were analyzed with the Burgers model and demonstrated an original self-healing property, unusual in the class of molecular gels. The influence of the metal type was studied through the structural features using small-angle neutron scattering (SANS) experiments. In gels, the corresponding network involves genuine fibers (R ≈ 35 Å), bundles of these fibers and also a fraction of finite size aggregates (rods with aspect ratio f ≈ 3–5). We found that the distribution of these latter structural components is sensitive to the metal ions type. Such tritopic 1D coordination polymers exhibit a range of original structural features and a facile control of the developed structures in solutions and gels by tuning their thermodynamic parameters. The versatility associated to the intrinsic dynamic ability of the systems should pave the way to original properties for molecular devices. - Graphical abstract: A tritopic ligand with a bis-terpyridine cyclam (CHTT) unit can form homo- and heterobinuclear coordination polymers with bivalent metal ions in DMF. Gels exhibit a remarkable self-healing property while structures of solutions and gels are studied by small-angle neutron scattering. - Highlights: • Homo- and heteronuclear coordination polymers based on innovative tritopic ligand. • The gels formed from the coordination polymers demonstrated self-healing property. • Influence of the metal type was studied through the structural properties by SANS. • Versatility of the singular system present original properties for molecular device.

  3. Theoretical study of the mode of the mass-selective nonstable axial output ions from the nonlinear trap

    International Nuclear Information System (INIS)

    Sudakov, M.Yu.

    2000-01-01

    One studied theoretically the mode of mass-selective unstable output of ions from three-dimensional quadrupole ion trap. One developed a method represent coordinates of ions per one period of supplying HF voltage with regard to nonlinear distortions of quadrupole potential. One derived equation for an envelope of ion oscillations in the form of motion equation of mass point in the efficient force field. One explained the effect of output delay of ions at presence of the field negative even harmonics. One proved that the positive even distortions of quadrupole potential favored realization of that mode and studied the dynamics of ions in the course of output [ru

  4. Building thiol and metal-thiolate functions into coordination nets: Clues from a simple molecule

    International Nuclear Information System (INIS)

    He Jun; Yang Chen; Xu Zhengtao; Zeller, Matthias; Hunter, Allen D.; Lin Jianhua

    2009-01-01

    The simple and easy-to-prepare bifunctional molecule 2,5-dimercapto-1,4-benzenedicarboxylic acid (H 4 DMBD) interacts with the increasingly harder metal ions of Cu + , Pb 2+ and Eu 3+ to form the coordination networks of Cu 6 (DMBD) 3 (en) 4 (Hen) 6 (1), Pb 2 (DMBD)(en) 2 (2) and Eu 2 (H 2 DMBD) 3 (DEF) 4 (3), where the carboxyl and thiol groups bind with distinct preference to the hard and soft metal ions, respectively. Notably, 1 features uncoordinated carboxylate groups and Cu 3 cluster units integrated via the thiolate groups into an extended network with significant interaction between the metal centers and the organic molecules; 2 features a 2D coordination net based on the mercapto and carboxylic groups all bonded to the Pb 2+ ions; 3 features free-standing thiol groups inside the channels of a metal-carboxylate-based network. This study illustrates the rich solid state structural features and potential functions offered by the carboxyl-thiol combination. - Graphical Abstract: Molecule 2,5-dimercapto-1,4-benzenedicarboxylic acid was reacted with Cu + , Pb 2+ and Eu 3+ ions to explore solid state networks with the rich structural features arising from the carboxyl-thiol combination.

  5. Atomic size effects on local coordination and medium range order in molten trivalent metal chlorides

    International Nuclear Information System (INIS)

    Tatlipinar, H.; Akdeniz, Z.; Pastore, G.

    1992-08-01

    Structural correlations in molten trivalent metal chlorides are evaluated as functions of the metal ion size R M across the range from LaCl 3 (R M approx. 1.4 A) to AlCl 3 (R M approx. 0.8 A), using a charged soft-sphere model and the hypernetted chain approximation. Main attention is given to trends in the local liquid structure (partial radial distribution functions, coordination numbers and bond lengths) and in the intermediate range order (first sharp diffraction peak in the number-number and partial structure factors). The trend towards fourfold local coordination of the metal ions, the stabilization of their first-neighbour chlorine cage and the growth of medium range order are found to proceed in parallel as the size of the metal ion is allowed to decrease at constant number density and temperature. A tendency to molecular-type local structure and liquid-vapour phase separation is found within the hypernetted chain scheme at small metal ion sizes corresponding to AlCl 3 and is emphasized by decreasing the number density of the fluid. The predicted molecular units are rather strongly distorted Al 2 Cl 6 dimers, in agreement with observation. The calculated structural trends for other trichlorides are compared with diffraction and transport data. (author). 17 refs, 8 figs, 1 tab

  6. Hydrothermal synthesis and characterization of a binuclear complex and a coordination

    Directory of Open Access Journals (Sweden)

    Reza Mohamadinasab

    2010-06-01

    Full Text Available Two new copper complexes [(bipy(pydcCu(μ-OCO-pydcCu(bipy(H2O].3.5H¬2O (1 and {[(μ2-C2O4(2,2'-bipyCu].2H2O}n (2 (pydcH2 = pyridine-2,6-dicarboxylilic acid, bipy = 2,2'-bipyridine have been hydrothermally synthesized. Both complexes were characterized by IR spectroscopy, elemental analysis and single crystal X-ray diffraction studies. Complex 1 consists of two independent neutral molecules. In every moiety, metal ion center is in a distorted octahedral geometry. Coordination polymer (2 has been prepared from the reaction of bis-(cyclohexanone-oxal-dihydrazone,2,2'-bipyridine and Cu(NO32 in basic solution and under hydrothermal condition. The results showed that the bis-(cyclohexanone-oxal-dihydrazone was converted to oxalate ion under heating and basic pH. Each metal ion center in 2 is in a distorted octahedral geometry and is coordinated by four oxygen atoms of two bridged oxalate ions and two nitrogen atoms of 2,2'-bipyridine molecules. In the crystal structure of 2, some H-bonds and π-π interaction cause formation of a 3D network.

  7. Postural Coordination during Socio-motor Improvisation.

    Science.gov (United States)

    Gueugnon, Mathieu; Salesse, Robin N; Coste, Alexandre; Zhao, Zhong; Bardy, Benoît G; Marin, Ludovic

    2016-01-01

    Human interaction often relies on socio-motor improvisation. Creating unprepared movements during social interaction is not a random process but relies on rules of synchronization. These situations do not only involve people to be coordinated, but also require the adjustment of their posture in order to maintain balance and support movements. The present study investigated posture in such a context. More precisely, we first evaluated the impact of amplitude and complexity of arm movements on posture in solo situation. Then, we assessed the impact of interpersonal coordination on posture using the mirror game in which dyads performed improvised and synchronized movements (i.e., duo situation). Posture was measured through ankle-hip coordination in medio-lateral and antero-posterior directions (ML and AP respectively). Our results revealed the spontaneous emergence of in-phase pattern in ML direction and antiphase pattern in AP direction for solo and duo situations. These two patterns respectively refer to the simultaneous flexion/extension of the ankles and the hips in the same or opposite direction. It suggests different functional roles of postural coordination patterns in each direction, with in-phase supporting task performance in ML (dynamical stability) and antiphase supporting postural control in AP (mechanical stability). Although amplitude of movement did not influence posture, movement complexity disturbed postural stability in both directions. Conversely, interpersonal coordination promoted postural stability in ML but not in AP direction. These results are discussed in terms of the difference in coupling strength between ankle-hip coordination and interpersonal coordination.

  8. Postural coordination during socio-motor improvisation

    Directory of Open Access Journals (Sweden)

    Mathieu Gueugnon

    2016-08-01

    Full Text Available Human interaction often relies on socio-motor improvisation. Creating unprepared movements during social interaction is not a random process but relies on rules of synchronization. These situations do not only involve people to be coordinated, but also require the adjustment of their posture in order to maintain balance and support movements. The present study investigated posture in such a context. More precisely, we first evaluated the impact of amplitude and complexity of arm movements on posture in solo situation. Then, we assessed the impact of interpersonal coordination on posture using the mirror game in which dyads performed improvised and synchronized movements (i.e., duo situation. Posture was measured through ankle-hip coordination in medio-lateral and antero-posterior directions (ML and AP respectively. Our results revealed the spontaneous emergence of in-phase pattern in ML direction and anti-phase pattern in AP direction for solo and duo situations. These two patterns respectively refer to the simultaneous flexion/extension of the ankles and the hips in the same or opposite direction. It suggests different functional roles of postural coordination patterns in each direction, with in-phase supporting task performance in ML (dynamical stability and antiphase supporting postural control in AP (mechanical stability. Although amplitude of movement did not influence posture, movement complexity disturbed postural stability in both directions. Conversely, interpersonal coordination promoted postural stability in ML but not in AP direction. These results are discussed in terms of the difference in coupling strength between ankle-hip coordination and interpersonal coordination.

  9. Crystal structures of coordination polymers from CaI2 and proline

    Directory of Open Access Journals (Sweden)

    Kevin Lamberts

    2015-06-01

    Full Text Available Completing our reports concerning the reaction products from calcium halides and the amino acid proline, two different solids were found for the reaction of l- and dl-proline with CaI2. The enantiopure amino acid yields the one-dimensional coordination polymer catena-poly[[aqua-μ3-l-proline-tetra-μ2-l-proline-dicalcium] tetraiodide 1.7-hydrate], {[Ca2(C5H9NO25(H2O]I4·1.7H2O}n, (1, with two independent Ca2+ cations in characteristic seven- and eightfold coordination. Five symmetry-independent zwitterionic l-proline molecules bridge the metal sites into a cationic polymer. Racemic proline forms with Ca2+ cations heterochiral chains of the one-dimensional polymer catena-poly[[diaquadi-μ2-dl-proline-calcium] diiodide], {[Ca(C5H9NO22(H2O2]I2}n, (2. The centrosymmetric structure is built by one Ca2+ cation that is bridged towards its symmetry equivalents by two zwitterionic proline molecules. In both structures, the iodide ions remain non-coordinating and hydrogen bonds are formed between these counter-anions, the amino groups, coordinating and co-crystallized water molecules. While the overall composition of (1 and (2 is in line with other structures from calcium halides and amino acids, the diversity of the carboxylate coordination geometry is quite surprising.

  10. A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiu-Hua, E-mail: xhli.univ@gmail.com [College of Chemistry and Chemical Engineering, Fujian Normal University, Fuzhou, 350117 Fujian (China); Zhang, Qi [School of Life Science, Changchun Normal University, Changchun, 130032 Jilin (China); Hu, Ping [Southampton Management School, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom)

    2014-10-15

    A multifunctional homochiral coordination polymer, [Co(H{sub 2}O)(BDC)(4,4′-BPY)]∙3H{sub 2}O (1) (H{sub 2}BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions.

  11. Electrochemically fabricated polypyrrole-cobalt-oxygen coordination complex as high-performance lithium-storage materials.

    Science.gov (United States)

    Guo, Bingkun; Kong, Qingyu; Zhu, Ying; Mao, Ya; Wang, Zhaoxiang; Wan, Meixiang; Chen, Liquan

    2011-12-23

    Current lithium-ion battery (LIB) technologies are all based on inorganic electrode materials, though organic materials have been used as electrodes for years. Disadvantages such as limited thermal stability and low specific capacity hinder their applications. On the other hand, the transition metal oxides that provide high lithium-storage capacity by way of electrochemical conversion reaction suffer from poor cycling stability. Here we report a novel high-performance, organic, lithium-storage material, a polypyrrole-cobalt-oxygen (PPy-Co-O) coordination complex, with high lithium-storage capacity and excellent cycling stability. Extended X-ray absorption fine structure and Raman spectroscopy and other physical and electrochemical characterizations demonstrate that this coordination complex can be electrochemically fabricated by cycling PPy-coated Co(3)O(4) between 0.0 V and 3.0 V versus Li(+)/Li. Density functional theory (DFT) calculations indicate that each cobalt atom coordinates with two nitrogen atoms within the PPy-Co coordination layer and the layers are connected with oxygen atoms between them. Coordination weakens the C-H bonds on PPy and makes the complex a novel lithium-storage material with high capacity and high cycling stability. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Mussel-inspired histidine-based transient network metal coordination hydrogels

    Science.gov (United States)

    Fullenkamp, Dominic E.; He, Lihong; Barrett, Devin G.; Burghardt, Wesley R.; Messersmith, Phillip B.

    2013-01-01

    Transient network hydrogels cross-linked through histidine-divalent cation coordination bonds were studied by conventional rheologic methods using histidine-modified star poly(ethylene glycol) (PEG) polymers. These materials were inspired by the mussel, which is thought to use histidine-metal coordination bonds to impart self-healing properties in the mussel byssal thread. Hydrogel viscoelastic mechanical properties were studied as a function of metal, pH, concentration, and ionic strength. The equilibrium metal-binding constants were determined by dilute solution potentiometric titration of monofunctional histidine-modified methoxy-PEG and were found to be consistent with binding constants of small molecule analogs previously studied. pH-dependent speciation curves were then calculated using the equilibrium constants determined by potentiometric titration, providing insight into the pH dependence of histidine-metal ion coordination and guiding the design of metal coordination hydrogels. Gel relaxation dynamics were found to be uncorrelated with the equilibrium constants measured, but were correlated to the expected coordination bond dissociation rate constants. PMID:23441102

  13. Anion-Controlled Architecture and Photochromism of Naphthalene Diimide-Based Coordination Polymers

    Directory of Open Access Journals (Sweden)

    Jian-Jun Liu

    2018-02-01

    Full Text Available Three new cadmium coordination polymers, namely [Cd(NO32(DPNDI(CH3OH]·CH3OH (1, [Cd(SCN2(DPNDI] (2, and [Cd(DPNDI2(DMF2]·2ClO4 (3 (DPNDI = N,N-di(4-pyridyl-1,4,5,8-naphthalene diimide, DMF = N,N-dimethylformamide have been synthesized by reactions of DPNDI with Cd(NO32, Cd(SCN2, and Cd(ClO42, respectively. Compound 1 is a one-dimensional coordination polymer with strong lone pair-π interactions between the coordinated NO3− anions and the imide ring of DPNDI; while 2 is a two-dimensional network with a (4, 4 net topology. In the case of 3, due to the presence of uncoordinated perchlorate counter ions, it exhibits a non-interpenetrated square-grid coordination polymer containing one-dimensional rhomboid channels. The structural diversity in these compounds is attributed to different coordination abilities and geometries of counter anions. Due to the presence of electron-deficient NDI moiety, the photochromic behavior of these compounds was studied. Interestingly, only compounds 1 and 3 exhibit color changes under light irradiation. The influence of the anions on the photochromism process of the NDI-based materials has been discussed.

  14. Crystal Structures and Physical Properties of Ag(I) Coordination Polymers with Unsymmetrical Dipyridyl Ligand

    International Nuclear Information System (INIS)

    Lee, Eunji; Ryu, Hyunsoo; Park, Kimin

    2013-01-01

    Three Ag(I) coordination polymers with the formula [Ag(L)]·(X)·(DMSO) n (X = ClO 4 (1), BF 4 (2), and PF 6 (3), and L = dipyridyl ligand) were prepared and characterized fully their structures. All three compounds are isostructures and stable 2-D honeycomb type coordination polymers, in which 1-D zigzag chains with -(Ag-L)- motif are linked by the argentophilic interactions and the π···π stacking interactions between pyridine rings. The investigation on photophysical properties of all compounds shows that the nature of emission can be attributed to the metal-to-ligand charge transfer as well as the formation of the polymeric structures with restriction of the flexibility of the free ligand. Based on the present solid state results, further investigation on the development and characterization of new coordination polymers using flexible unsymmetrical ligand is in progress. During last two decades, silver coordination polymers based on dipyridyl type ligands have attracted particular interest because of the various intriguing architectures caused by a variety of coordination geometry of Ag(I) ion as well as their potential applications as functional materials

  15. Refurbishing tritium contaminated ion sources

    International Nuclear Information System (INIS)

    Wright, K.E.; Carnevale, R.H.; McCormack, B.E.; Stevenson, T.; Halle, A. von

    1995-01-01

    Extended tritium experimentation on TFTR has necessitated refurbishing Neutral Beam Long Pulse Ion Sources (LPIS) which developed operational difficulties, both in the TFTR Test Cell and later, in the NB Source Refurbishment Shop. Shipping contaminated sources off-site for repair was not permissible from a transport and safety perspective. Therefore, the NB source repair facility was upgraded by relocating fixtures, tooling, test apparatus, and three-axis coordinate measuring equipment; purchasing and fabricating fume hoods; installing exhaust vents; and providing a controlled negative pressure environment in the source degreaser/decon area. Appropriate air flow monitors, pressure indicators, tritium detectors and safety alarms were also included. The effectiveness of various decontamination methods was explored while the activation was monitored. Procedures and methods were developed to permit complete disassembly and rebuild of an ion source while continuously exhausting the internal volume to the TFTR Stack to avoid concentrations of tritium from outgassing and minimize personnel exposure. This paper presents upgrades made to the LPIS repair facility, various repair tasks performed, and discusses the effectiveness of the decontamination processes utilized

  16. Three-dimensional tetranuclear Cd(II) coordination network based on a 1,3-alternate calix[4]arene derivative

    International Nuclear Information System (INIS)

    Lee, Eun Ji; Ju, Hui Yeong; Park, Ki Min; Moon, ASuk Hee; Kang, Young Jin

    2015-01-01

    Polynuclear coordination polymers can exhibit more intriguing network topologies and better functionalities than those of common complexes because they have metal-cluster nodes for the construction of multidimensional frameworks and the potential applications induced by collaborative activities between metal ions. New tetranuclear Cd(II) coordination polymer 1 based on 1,3-alternate calix arene derivative (H_4 CTA) with four carboxyl pendant arms has been synthesized by the solvo thermal reaction at 110 .deg. C for 2 days. Compound 1 shows a 3-D framework consisting of tetranuclear Cd(II) cluster core as a metal-cluster node and 1,3-alternate H_4CTA as a multidentate linker. The coordination polymer 1 displays intense blue emission, implying that this tetranuclear Cd(II) coordination polymer could be a suitable material in the area of luminescence research

  17. Three-dimensional tetranuclear Cd(II) coordination network based on a 1,3-alternate calix[4]arene derivative

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Eun Ji; Ju, Hui Yeong; Park, Ki Min [Dept. of Chemistry and Research Institute of Natural Science, Gyeongsang National University, Jinju (Korea, Republic of); Moon, ASuk Hee [Dept. of Food and Nutrition, Kyungnam College of Inform ation and Technology, Busan (Korea, Republic of); Kang, Young Jin [Div. of cience Education, Kangwon National University, Chuncheon (Korea, Republic of)

    2015-08-15

    Polynuclear coordination polymers can exhibit more intriguing network topologies and better functionalities than those of common complexes because they have metal-cluster nodes for the construction of multidimensional frameworks and the potential applications induced by collaborative activities between metal ions. New tetranuclear Cd(II) coordination polymer 1 based on 1,3-alternate calix arene derivative (H{sub 4} CTA) with four carboxyl pendant arms has been synthesized by the solvo thermal reaction at 110 .deg. C for 2 days. Compound 1 shows a 3-D framework consisting of tetranuclear Cd(II) cluster core as a metal-cluster node and 1,3-alternate H{sub 4}CTA as a multidentate linker. The coordination polymer 1 displays intense blue emission, implying that this tetranuclear Cd(II) coordination polymer could be a suitable material in the area of luminescence research.

  18. Coordination-induced formation of nanometer-scale infinite coordination polymer at room temperature and conversion to CuO nanoparticles

    Science.gov (United States)

    Mohammadikish, Maryam; Zafari, Zohreh

    2018-03-01

    In this work, the construction of CuO nanoparticles semiconductor utilizing infinite coordination polymers (ICPs) as precursor was investigated. After successful functionalization of salpn (salpn = N,N‧-Bis(salicylidene)-1,3-propanediamine) ligand with sodium thioglycolate, bi-thioglycolate functionalized salpn linker was obtained, which was further transformed into Cu-ICP nanoparticles by simple precipitation method in the presence of Cu2+ cations. The mechanism of morphology evolution was illustrated by systematic time dependent studies, which demonstrated the preparation of Cu-ICP nanoparticles in shortest possible time, 5 min. Photoluminescence spectra show the emission quenching of the bi-thioglycolate functionalized salpn linker due to coordination to copper ion. In addition, the copper oxide nanoparticles are fabricated by thermal decomposition of the Cu-ICP precursor which showed larger band gap compared to bulk counterpart.

  19. Negative-ion states

    International Nuclear Information System (INIS)

    Compton, R.N.

    1982-01-01

    In this brief review, we discuss some of the properties of atomic and molecular negative ions and their excited states. Experiments involving photon reactions with negative ions and polar dissociation are summarized. 116 references, 14 figures

  20. Quadrupole Ion Traps

    Indian Academy of Sciences (India)

    to do precision spectroscopic measurements on these ions. ... Bonn, investigated the non-magnetic quadrupole mass filter, .... the details of which will be discussed in the subse- ... the radial plane the ion undergoes a circular motion with the.

  1. Negative ion detachment processes

    International Nuclear Information System (INIS)

    Champion, R.L.; Doverspike, L.D.

    1990-10-01

    This paper discusses the following topics: H - and D - collisions with atomic hydrogen; collisional decomposition of SF 6 - ; two-electron loss processes in negative ion collisions; associative electron detachment; and negative ion desorption from surfaces

  2. Ion sources in AMS

    International Nuclear Information System (INIS)

    Iyer, Indira S.

    1997-01-01

    Accelerator Mass Spectrometry (AMS) entails the sputtering of various samples in an ion source followed by high precision mass analysis of the sputtered ion species in a Tandem Electrostatic Accelerator. A brief account is given

  3. Single Cathode Ion Thruster

    Data.gov (United States)

    National Aeronautics and Space Administration — Objective is to design an electrostatic ion thruster that is more efficient, simpler, and lower cost than the current gridded ion thruster. Initial objective is to...

  4. Applications of decelerated ions

    International Nuclear Information System (INIS)

    Johnson, B.M.

    1985-03-01

    Many facilities whose sole purpose had been to accelerate ion beams are now becoming decelerators as well. The development and current status of accel-decel operations is reviewed here. Applications of decelerated ions in atomic physics experiments are discussed

  5. Fundamentals of ion exchange

    International Nuclear Information System (INIS)

    Townsend, R.P.

    1993-01-01

    In this paper the fundamentals of ion exchange mechanisms and their thermodynamics are described. A range of ion exchange materials is considered and problems of communication and technology transfer between scientists working in the field are discussed. (UK)

  6. Communicating Processes with Data for Supervisory Coordination

    Directory of Open Access Journals (Sweden)

    Jasen Markovski

    2012-08-01

    Full Text Available We employ supervisory controllers to safely coordinate high-level discrete(-event behavior of distributed components of complex systems. Supervisory controllers observe discrete-event system behavior, make a decision on allowed activities, and communicate the control signals to the involved parties. Models of the supervisory controllers can be automatically synthesized based on formal models of the system components and a formalization of the safe coordination (control requirements. Based on the obtained models, code generation can be used to implement the supervisory controllers in software, on a PLC, or an embedded (microprocessor. In this article, we develop a process theory with data that supports a model-based systems engineering framework for supervisory coordination. We employ communication to distinguish between the different flows of information, i.e., observation and supervision, whereas we employ data to specify the coordination requirements more compactly, and to increase the expressivity of the framework. To illustrate the framework, we remodel an industrial case study involving coordination of maintenance procedures of a printing process of a high-tech Oce printer.

  7. Adaptation of coordination mechanisms to network structures

    Directory of Open Access Journals (Sweden)

    Herwig Mittermayer

    2008-12-01

    Full Text Available The coordination efficiency of Supply Chain Management is determined by two opposite poles: benefit from improved planning results and associated coordination cost. The centralization grade, applied coordination mechanisms and IT support have influence on both categories. Therefore three reference types are developed and subsequently detailed in business process models for different network structures. In a simulation study the performance of these organization forms are compared in a process plant network. Coordination benefit is observed if the planning mode is altered by means of a demand planning IT tool. Coordination cost is divided into structural and activity-dependent cost. The activity level rises when reactive planning iterations become necessary as a consequence of inconsistencies among planning levels. Some characteristic influence factors are considered to be a reason for uninfeasible planning. In this study the effect of capacity availability and stochastic machine downtimes is investigated in an uncertain demand situation. Results that if the network runs with high overcapacity, central planning is less likely to increase benefit enough to outweigh associated cost. Otherwise, if capacity constraints are crucial, a central planning mode is recommendable. When also unforeseen machine downtimes are low, the use of sophisticated IT tools is most profitable.

  8. Coordination and standardization of federal sedimentation activities

    Science.gov (United States)

    Glysson, G. Douglas; Gray, John R.

    1997-01-01

    In August 1964, the Bureau of the Budget issued Circular A-67 to set forth guidelines for the coordination of water-data acquisition activities throughout the Federal government. The U.S. Department of the Interior was assigned the task of implementing Circular A-67, which in turn redelegated this responsibility to the U.S. Geological Survey (USGS). Delegation of the lead responsibility for water-data coordination to the USGS occurred because of its historical role as the primary agency for water-data acquisition in the United States. To provide overall leadership for implementing the provisions of Circular A-67, the USGS established the Office of Water Data Coordination in the Water Resources Division (WRD). In addition, regional and district offices of the WRD were delegated responsibility for coordinating water data within their geographic areas of responsibility. On December 10, 1991, the Office of Management and Budget issued OMB Number Memorandum M-92-01, which expands the USGS's coordination role to encompass all water information. This includes data critical to water resources in the following categories: - surface- and ground-water quality and quantity,

  9. Future directions in electron--ion collision physics

    International Nuclear Information System (INIS)

    Reed, K.J.; Griffin, D.C.

    1992-01-01

    This report discusses the following topics: Summary of session on synergistic co-ordination of theory and experiment; synergism between experiment and theory in atomic physics; comparison of theory and experiment for electron-ion excitation and ionization; summary of session on new theoretical and computational methods; new theoretical and computational methods-r-matrix calculations; the coulomb three-body problem: a progress report; summary of session on needs and applications for electron-ion collisional data; electron-ion collisions in the plasma edge; needs and applications of theoretical data for electron impact excitation; summary of session on relativistic effects, indirect effects, resonance, etc; direct and resonant processes in electron-ion collisions; relativistic calculations of electron impact ionization and dielectronic recombination cross section for highly charged ions; electron-ion recombination in the close-coupling approximation; modified resonance amplitudes with strongly correlated channels; a density-matrix approach to the broadening of spectral lines by autoionization, radiative transitions and electron-ion collisions; towards a time-dependent description of electron-atom/ion collisions two electron systems; and comments on inclusion of the generalized bright interaction in electron impact excitation of highly charged ions

  10. Thermal studies on Pr(III) and Dy(III) succinates

    International Nuclear Information System (INIS)

    Kaul, M.L.; Sharma, R.M.

    1991-01-01

    The compounds, Pr 2 C 12 H 12 O 12 .6H 2 O and Dy 2 C 12 H 12 O 12 8H 2 O have been prepared and characterised by elemental analysis and I.R. spectroscopy. TG and DTA studies show that these lose four and six water molecules respectively in the first step, yielding M 2 C 12 H 12 O 12 .2H 2 O (M=Pr or Dy) and form the anhydrous species, M 2 C 12 H 12 O 12 in the second step. There is an indication of formation of MO(CO 3 )sub(1/2) in the case of Pr compound. M 2 O 3 appears as the final stable product in each case. Kinetic parameters like apparent order, energy and entropy of activation for the dehydration process have been arrived at by analysing the data using Piloyan-Novikova, Coats-Redfern and Horowitz-Metzger equations. α vs. T curves show that there is no indication of branching or surface nucleation preceding the dehydration process which in both the compounds proceeds with phase boundary mechanism. (author). 10 refs., 8 figs., 2 tabs

  11. A framework of manufacturer-retailer coordination process

    DEFF Research Database (Denmark)

    Wong, Chee Yew; Johansen, John

    2008-01-01

    Purpose - Triggered by perceived inefficiency and inequality, buyers and suppliers coordinate with each other. The purpose of this paper is to develop a framework of coordination process based on theoretical review and verifications from three case studies. Design/methodology/approach - The appro......Purpose - Triggered by perceived inefficiency and inequality, buyers and suppliers coordinate with each other. The purpose of this paper is to develop a framework of coordination process based on theoretical review and verifications from three case studies. Design...... there was disagreement. Third, closer mode of coordination, which involved joint evaluation and derivation of coordination solutions, reduced the numbers of iterative coordination cycles. These empirical findings verified the presupposed framework of coordination process. Research limitations/implications - Three...... qualitative case studies may not be highly generalisable and multiple dyadic coordination processes may occur. However, the findings form a foundation for further understanding of the coordination process. Originality/value - The proposed framework of the coordination process further expands the theories...

  12. Gas phase ion chemistry

    CERN Document Server

    Bowers, Michael T

    1979-01-01

    Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation

  13. Ion mobility spectrometry

    CERN Document Server

    Eiceman, GA

    2005-01-01

    Key Developments for Faster, More Precise Detection Capabilities Driven by the demand for the rapid and advanced detection of explosives, chemical and biological warfare agents, and narcotics, ion mobility spectrometry (IMS) undergone significant refinements in technology, computational capabilities, and understanding of the principles of gas phase ion chemistry and mobility. Beginning with a thorough discussion of the fundamental theories and physics of ion mobility, Ion Mobility Spectrometry, Second Edition describes the recent advances in instrumentation and newly

  14. Intense ion beam generator

    International Nuclear Information System (INIS)

    Humphries, S. Jr.; Sudan, R.N.

    1977-01-01

    Methods and apparatus for producing intense megavolt ion beams are disclosed. In one embodiment, a reflex triode-type pulsed ion accelerator is described which produces ion pulses of more than 5 kiloamperes current with a peak energy of 3 MeV. In other embodiments, the device is constructed so as to focus the beam of ions for high concentration and ease of extraction, and magnetic insulation is provided to increase the efficiency of operation

  15. Ion sources for accelerators

    International Nuclear Information System (INIS)

    Alton, G.D.

    1974-01-01

    A limited review of low charge sate positive and negative ion sources suitable for accelerator use is given. A brief discussion is also given of the concepts underlying the formation and extraction of ion beams. Particular emphasis is placed on the technology of ion sources which use solid elemental or molecular compounds to produce vapor for the ionization process

  16. Negative Ion Density Fronts

    International Nuclear Information System (INIS)

    Igor Kaganovich

    2000-01-01

    Negative ions tend to stratify in electronegative plasmas with hot electrons (electron temperature Te much larger than ion temperature Ti, Te > Ti ). The boundary separating a plasma containing negative ions, and a plasma, without negative ions, is usually thin, so that the negative ion density falls rapidly to zero-forming a negative ion density front. We review theoretical, experimental and numerical results giving the spatio-temporal evolution of negative ion density fronts during plasma ignition, the steady state, and extinction (afterglow). During plasma ignition, negative ion fronts are the result of the break of smooth plasma density profiles during nonlinear convection. In a steady-state plasma, the fronts are boundary layers with steepening of ion density profiles due to nonlinear convection also. But during plasma extinction, the ion fronts are of a completely different nature. Negative ions diffuse freely in the plasma core (no convection), whereas the negative ion front propagates towards the chamber walls with a nearly constant velocity. The concept of fronts turns out to be very effective in analysis of plasma density profile evolution in strongly non-isothermal plasmas

  17. Nanostructures by ion beams

    Science.gov (United States)

    Schmidt, B.

    Ion beam techniques, including conventional broad beam ion implantation, ion beam synthesis and ion irradiation of thin layers, as well as local ion implantation with fine-focused ion beams have been applied in different fields of micro- and nanotechnology. The ion beam synthesis of nanoparticles in high-dose ion-implanted solids is explained as phase separation of nanostructures from a super-saturated solid state through precipitation and Ostwald ripening during subsequent thermal treatment of the ion-implanted samples. A special topic will be addressed to self-organization processes of nanoparticles during ion irradiation of flat and curved solid-state interfaces. As an example of silicon nanocrystal application, the fabrication of silicon nanocrystal non-volatile memories will be described. Finally, the fabrication possibilities of nanostructures, such as nanowires and chains of nanoparticles (e.g. CoSi2), by ion beam synthesis using a focused Co+ ion beam will be demonstrated and possible applications will be mentioned.

  18. Polysulfide coordination clusters of the lanthanides

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ying-Zhao; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Konchenko, Sergey N. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk (Russian Federation); Novosibirsk State University (Russian Federation)

    2017-10-16

    The reaction of [(DippForm){sub 2}Ln(thf){sub 2}] with an excess of elemental sulfur in toluene resulted in the formation of the trinuclear polysulfide coordination clusters [(DippForm){sub 3}Ln{sub 3}S{sub 12}] (Ln=Sm, Yb; DippForm=N,N'-bis(2,6-diisopropylphenyl)formamidinate). These are the first f element coordination clusters (Ln{sub n}S{sub x}) with a larger polysulfide unit (n and x>2). The formation of the coordination clusters can be rationalized by the reductive cleavage of S{sub 8} with divalent lanthanides. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  19. Nonparametric variational optimization of reaction coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Banushkina, Polina V.; Krivov, Sergei V., E-mail: s.krivov@leeds.ac.uk [Astbury Center for Structural Molecular Biology, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT (United Kingdom)

    2015-11-14

    State of the art realistic simulations of complex atomic processes commonly produce trajectories of large size, making the development of automated analysis tools very important. A popular approach aimed at extracting dynamical information consists of projecting these trajectories into optimally selected reaction coordinates or collective variables. For equilibrium dynamics between any two boundary states, the committor function also known as the folding probability in protein folding studies is often considered as the optimal coordinate. To determine it, one selects a functional form with many parameters and trains it on the trajectories using various criteria. A major problem with such an approach is that a poor initial choice of the functional form may lead to sub-optimal results. Here, we describe an approach which allows one to optimize the reaction coordinate without selecting its functional form and thus avoiding this source of error.

  20. Non-commutativity in polar coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Edwards, James P. [Universidad Michoacana de San Nicolas de Hidalgo, Ciudad Universitaria, Instituto de Fisica y Matematicas, Morelia, Michoacan (Mexico)

    2017-05-15

    We reconsider the fundamental commutation relations for non-commutative R{sup 2} described in polar coordinates with non-commutativity parameter θ. Previous analysis found that the natural transition from Cartesian coordinates to the traditional polar system led to a representation of [r, φ] as an everywhere diverging series. In this article we compute the Borel resummation of this series, showing that it can subsequently be extended throughout parameter space and hence provide an interpretation of this commutator. Our analysis provides a complete solution for arbitrary r and θ that reproduces the earlier calculations at lowest order and benefits from being generally applicable to problems in a two-dimensional non-commutative space. We compare our results to previous literature in the (pseudo-)commuting limit, finding a surprising spatial dependence for the coordinate commutator when θ >> r{sup 2}. Finally, we raise some questions for future study in light of this progress. (orig.)

  1. Culture-dependent strategies in coordination games.

    Science.gov (United States)

    Jackson, Matthew O; Xing, Yiqing

    2014-07-22

    We examine different populations' play in coordination games in online experiments with over 1,000 study participants. Study participants played a two-player coordination game that had multiple equilibria: two equilibria with highly asymmetric payoffs and another equilibrium with symmetric payoffs but a slightly lower total payoff. Study participants were predominantly from India and the United States. Study participants residing in India played the strategies leading to asymmetric payoffs significantly more frequently than study participants residing in the United States who showed a greater play of the strategy leading to the symmetric payoffs. In addition, when prompted to play asymmetrically, the population from India responded even more significantly than those from the United States. Overall, study participants' predictions of how others would play were more accurate when the other player was from their own populations, and they coordinated significantly more frequently and earned significantly higher payoffs when matched with other study participants from their own population than when matched across populations.

  2. Coordination: Neural, Behavioral and Social Dynamics

    CERN Document Server

    Fuchs, Armin

    2008-01-01

    One of the most striking features of Coordination Dynamics is its interdisciplinary character. The problems we are trying to solve in this field range from behavioral phenomena of interlimb coordination and coordination between stimuli and movements (perception-action tasks) through neural activation patterns that can be observed during these tasks to clinical applications and social behavior. It is not surprising that close collaboration among scientists from different fields as psychology, kinesiology, neurology and even physics are imperative to deal with the enormous difficulties we are facing when we try to understand a system as complex as the human brain. The chapters in this volume are not simply write-ups of the lectures given by the experts at the meeting but are written in a way that they give sufficient introductory information to be comprehensible and useful for all interested scientists and students.

  3. A Process Algebra for Supervisory Coordination

    Directory of Open Access Journals (Sweden)

    Jos Baeten

    2011-08-01

    Full Text Available A supervisory controller controls and coordinates the behavior of different components of a complex machine by observing their discrete behaviour. Supervisory control theory studies automated synthesis of controller models, known as supervisors, based on formal models of the machine components and a formalization of the requirements. Subsequently, code generation can be used to implement this supervisor in software, on a PLC, or embedded microprocessor. In this article, we take a closer look at the control loop that couples the supervisory controller and the machine. We model both event-based and state-based observations using process algebra and bisimulation-based semantics. The main application area of supervisory control that we consider is coordination, referred to as supervisory coordination, and we give an academic and an industrial example, discussing the process-theoretic concepts employed.

  4. TIARA: Toward accelerator R&D coordination

    CERN Multimedia

    Anaïs Schaeffer

    2011-01-01

    The preparatory phase of the TIARA (Test Infrastructure and Accelerator Research Area) project has begun. In January, members from 11 research institutes in 8 European countries began a three-year collaboration intended to enhance, improve and structure R&D efforts in the area of accelerator science and technology in Europe.   Partly funded by the European Commission under its Seventh Framework Programme (FP7), the TIARA project is being coordinated by the CEA (Commissariat à l’Énergie Atomique et aux Energies Alternatives). “The aim of the project is to arrive at an organisational structure that will provide coordination for R&D efforts and associated infrastructures in the field of particle accelerators in Europe,” explains the CEA’s Céline Tanguy, project coordinator assistant. “The new structure, which we hope will be a durable one, will be set up at the end of the project’s preparatory phase....

  5. Conflict as driver of pluricentric coordination

    DEFF Research Database (Denmark)

    Sørensen, Eva

    2014-01-01

    and reconstructing the institutional conditions that make coordination possible. The productive role of conflicts is particularly visible in times of radical change that calls for a recasting of the sedimented world views and practices of the involved actors, as well as the relationship between them. A case study......Governance theory and planning theory share a tendency to either overlook the role of conflicts in coordination processes or view them as a disruptive force that must be modified or neutralized. In effect, there is little research into the productive role of conflicts in constructing...... of the formation of new pluricentric regional governance arenas in Denmark provides important insights into how conflicts contribute to a gradual recasting of the institutional conditions that make coordination possible....

  6. Anatomic breast coordinate system for mammogram analysis

    DEFF Research Database (Denmark)

    Karemore, Gopal; Brandt, S.; Karssemeijer, N.

    2011-01-01

    was represented by geodesic distance (s) from nipple and parametric angle (¿) as shown in figure 1. The scoring technique called MTR (mammographic texture resemblance marker) used this breast coordinate system to extract Gaussian derivative features. The features extracted using the (x,y) and the curve......Purpose Many researchers have investigated measures also other than density in the mammogram such as measures based on texture to improve breast cancer risk assessment. However, parenchymal texture characteristics are highly dependent on the orientation of vasculature structure and fibrous tissue...... methodologies as seen from table 2 in given temporal study. Conclusion The curve-linear anatomical breast coordinate system facilitated computerized analysis of mammograms. The proposed coordinate system slightly improved the risk segregation by Mammographic Texture Resemblance and minimized the geometrical...

  7. Impaired Visual Motor Coordination in Obese Adults.

    LENUS (Irish Health Repository)

    Gaul, David

    2016-09-01

    Objective. To investigate whether obesity alters the sensory motor integration process and movement outcome during a visual rhythmic coordination task. Methods. 88 participants (44 obese and 44 matched control) sat on a chair equipped with a wrist pendulum oscillating in the sagittal plane. The task was to swing the pendulum in synchrony with a moving visual stimulus displayed on a screen. Results. Obese participants demonstrated significantly (p < 0.01) higher values for continuous relative phase (CRP) indicating poorer level of coordination, increased movement variability (p < 0.05), and a larger amplitude (p < 0.05) than their healthy weight counterparts. Conclusion. These results highlight the existence of visual sensory integration deficiencies for obese participants. The obese group have greater difficulty in synchronizing their movement with a visual stimulus. Considering that visual motor coordination is an essential component of many activities of daily living, any impairment could significantly affect quality of life.

  8. Strained coordinate methods in rotating stars. II

    International Nuclear Information System (INIS)

    Smith, B.L.

    1977-01-01

    It was shown in a previous paper (Smith, 1976) that the method of strained coordinates may be usefully employed in the determination of the structure of rotating polytropes. In the present work this idea is extended to Main-Sequence stars with conservative centrifugal fields. The structure variables, pressure, density and temperature are considered pure functions of an auxiliary coordinate s (the strained coordinate) and the governing equations written in a form that closely resembles the structure equations for spherical stars but with the correction factors that are functions of s. A systematic, order-by-order derivation of these factors is outlined and applied in detail to a Cowling-model star in uniform rotation. The techniques can be extended beyond first order and external boundary conditions are applied, as they should be, at the true surface of the star. Roche approximations are not needed. (Auth.)

  9. Improving care coordination using organisational routines

    DEFF Research Database (Denmark)

    Prætorius, Thim

    2016-01-01

    Purpose – The purpose of this paper is to systematically apply theory of organisational routines to standardised care pathways. The explanatory power of routines is used to address open questions in the care pathway literature about their coordinating and organising role, the way they change......: care pathways and coordination, change, replication, the organisation and health care professionals. Research limitations/implications – The paper is conceptual and uses care pathways as illustrative instances of hospital routines. The propositions provide a starting point for empirical research....... Practical implications – The analysis highlights implications that health care professionals and managers have to consider in relation to coordination, change, replication, the way the organisation influences care pathways and the way care pathways influence health care professionals. Originality...

  10. Coordinate sensitive detectors based on microchannel plates

    International Nuclear Information System (INIS)

    Gruntman, M.A.

    1984-01-01

    Coordinate-sensitive detectors (CSD) on the basis of microchannel plates permit to determine in a digital form the coordinates of every recorded particle and they are used in different fields of physical experiment. The sensitive surface diameter of such detectors can reach 10 cm, and spatial resolution - 10 μm. In the review provided CSD with microchannel plates are classified according to the ways of coordinate determination, different types of the detectors, pecUliarities of their design and electron flowsheet are described. It is pointed out that there are reasons for introduction of CSD into practice of laboratory physical investigations in various fields, where the particle recorded is electron or is able to form a secondary electron. It is attributed to nuclear physics, physics of electron and atom collisions, optics, mass-spectrometry, electron microscopy, X-ray analysis, investigation of surfaces

  11. Coordinated Voltage Control of Active Distribution Network

    Directory of Open Access Journals (Sweden)

    Xie Jiang

    2016-01-01

    Full Text Available This paper presents a centralized coordinated voltage control method for active distribution network to solve off-limit problem of voltage after incorporation of distributed generation (DG. The proposed method consists of two parts, it coordinated primal-dual interior point method-based voltage regulation schemes of DG reactive powers and capacitors with centralized on-load tap changer (OLTC controlling method which utilizes system’s maximum and minimum voltages, to improve the qualified rate of voltage and reduce the operation numbers of OLTC. The proposed coordination has considered the cost of capacitors. The method is tested using a radial edited IEEE-33 nodes distribution network which is modelled using MATLAB.

  12. Obesity and Motor Coordination Ability in Taiwanese Children with and without Developmental Coordination Disorder

    Science.gov (United States)

    Zhu, Yi-Ching; Wu, Sheng K.; Cairney, John

    2011-01-01

    The purpose of this study was to investigate the associations between obesity and motor coordination ability in Taiwanese children with and without developmental coordination disorder (DCD). 2029 children (1078 boys, 951 girls) aged nine to ten years were chosen randomly from 14 elementary schools across Taiwan. We used bioelectrical impedance…

  13. Variationally optimal selection of slow coordinates and reaction coordinates in macromolecular systems

    Science.gov (United States)

    Noe, Frank

    To efficiently simulate and generate understanding from simulations of complex macromolecular systems, the concept of slow collective coordinates or reaction coordinates is of fundamental importance. Here we will introduce variational approaches to approximate the slow coordinates and the reaction coordinates between selected end-states given MD simulations of the macromolecular system and a (possibly large) basis set of candidate coordinates. We will then discuss how to select physically intuitive order paremeters that are good surrogates of this variationally optimal result. These result can be used in order to construct Markov state models or other models of the stationary and kinetics properties, in order to parametrize low-dimensional / coarse-grained model of the dynamics. Deutsche Forschungsgemeinschaft, European Research Council.

  14. Enhanced ion acoustic fluctuations and ion outflows

    Directory of Open Access Journals (Sweden)

    F. R. E. Forme

    1999-02-01

    Full Text Available A number of observations showing enhanced ion acoustic echoes observed by means of incoherent scatter radars have been reported in the literature. The received power is extremely enhanced by up to 1 or 2 orders of magnitude above usual values, and it is mostly contained in one of the two ion acoustic lines. This spectral asymmetry and the intensity of the received signal cannot be resolved by the standard analysis procedure and often causes its failure. As a result, and in spite of a very clear spectral signature, the analysis is unable to fit the plasma parameters inside the regions of ion acoustic turbulence. We present European Incoherent Scatter radar (EISCAT observations of large ion outflows associated with the simultaneous occurrence of enhanced ion acoustic echoes. The ion fluxes can reach 1014 m-2 s-1 at 800 km altitude. From the very clear spectral signatures of these echoes, a method is presented to extract estimates of the electron temperature and the ion drift within the turbulent regions. It is shown that the electron gas is strongly heated up to 11 000 K. Also electron temperature gradients of about 0.02 K/m exist. Finally, the estimates of the electron temperature and of the ion drift are used to study the possible implications for the plasma transport inside turbulent regions. It is shown that strong electron temperature gradients cause enhancement of the ambipolar electric field and can account for the observed ion outflows.Key words. Ionosphere (auroral ionosphere; ionosphere · magnetosphere interactions; plasma waves and instabilities.

  15. Cryogenic ion chemistry and spectroscopy.

    Science.gov (United States)

    Wolk, Arron B; Leavitt, Christopher M; Garand, Etienne; Johnson, Mark A

    2014-01-21

    stereoselectively catalyze bromination of biaryl substrates. This procedure directly reveals the particular H-bond donor and acceptor groups that enforce the folded structure of the bare ion as well as provide contact points for noncovalent interaction with substrates. We then show how photochemical hole-burning involving only vibrational excitations can be used in a double-resonance mode to systematically disentangle overlapping spectra that arise when several conformers of a dipeptide are prepared in the ion source. Finally, we highlight our ability to systematically capture reaction intermediates and spectroscopically characterize their structures. Through this method, we can identify the pathway for water-network-mediated, proton-coupled transformation of nitrosonium, NO(+) to HONO, a key reaction controlling the cations present in the ionosphere. Through this work, we reveal the critical role played by water molecules occupying the second solvation shell around the ion, where they stabilize the emergent product ion in a fashion reminiscent of the solvent coordinate responsible for the barrier to charge transfer in solution. Looking to the future, we predict that the capture and characterization of fleeting intermediate complexes in the homogeneous catalytic activation of small molecules like water, alkanes, and CO2 is a likely avenue rich with opportunity.

  16. Coordination under the Shadow of Career Concerns

    DEFF Research Database (Denmark)

    Koch, Alexander; Morgenstern, Albrecht

    2010-01-01

    concerns arise. The effects of career concerns can both be 'good' (enhancing incentives for effort in developing ideas) and 'bad' (preventing voluntary coordination). Our model shows how a firm can take these conflicting forces into account through the design of its explicit incentive system and the way......A firm's innovation process requires employees to develop novel ideas and to coordinate with each other to turn the tacit knowledge embodying these ideas into better products and services. Such work outcomes provide signals about employees' abilities to the labor market, and therefore career...

  17. Collective motion and the generator coordinate method

    International Nuclear Information System (INIS)

    Passos, E.J.V. de

    1981-01-01

    The generator coordinate method is used to construct a collective subspace of the many-body Hylbert space. The construction is based on the analysis of the properties of the overlaps of the generator states. Some well-known misbehaviours of the generator coordinate weight functions are clearly identified as of kinematical origin. A standard orthonormal representation in the collective subspace is introduced which eliminates them. It is also indicated how appropriate collective dynamical variables can be defined a posteriori. To illustrate the properties of the collective subspaces applications are made to a) translational invariant overlap kernels b) to one and two-conjugate parameter families of generator states. (Author) [pt

  18. Coordination under the Shadow of Career Concerns

    DEFF Research Database (Denmark)

    Koch, Alexander; Morgenstern, Albrecht

    To innovate, firms require their employees to develop novel ideas and to coordinate with each other to turn these ideas into products, services or business strategies. Because the quality of implemented designs that employees are associated with affects their labor market opportunities, career...... concerns arise that can both be ‘good’ (enhancing incentives for effort in developing ideas) and ‘bad’ (preventing voluntary coordination). Depending on the strength of career concerns, either group-based incentives or team production are optimal. This finding provides a possible link between the increased...

  19. IAEA Co-ordinated Research Program (CRP)

    International Nuclear Information System (INIS)

    Schrenk, M.

    2010-01-01

    The Coordinated Research Project is a topical collection of research agreements and contracts. The research contracts are awarded with financial support of about 10-20% of the total contract cost. Among the activities of the project is the organization of consultant group meetings and workshops involving several international experts and representatives of users and developers of border radiation monitoring equipment. The project also supports in coordinating the development of equipment and techniques for up-to-date border monitoring and in establishing of a process for providing nuclear forensics support to member states

  20. Coordination polyhedra CsCln in crystals

    International Nuclear Information System (INIS)

    Serezhkin, V.N.; Serezhkina, L.B.

    1999-01-01

    Characteristics of the Voronoi-Dirichlet polyhedrons are estimated for 133 crystallographic cesium atoms in chlorides Cs x M y Cl z (M=Cd, Sc, V, Nb, Mo, W, Ru, Re, etc.). It is found that cesium atoms have coordination numbers 6,8,9,10, 11 and 12 as regards the chlorine atoms. The results of cesium atom coordination sphere examination by the crossing spheres method are presented. Metal-metal interactions (including Cs-Cs) in the structure of certain chlorides are revealed

  1. Cantilever torque magnetometry on coordination compounds

    DEFF Research Database (Denmark)

    Perfetti, Mauro

    2017-01-01

    compounds, such as quantum computation or information storage. This review enlightens that CTM offers a unique combination of accuracy and precision to disentangle noncollinear contributions inside Single Crystals as well as the sensitivity to detect molecular order of thin films. CTM can also detect......Cantilever Torque Magnetometry (CTM) is one of the leading techniques to deeply understand magnetic anisotropy of coordination compounds. The knowledge of magnetic anisotropy is a mandatory requirement before proceeding with any future application related to the magnetic properties of coordination...... quantum phenomena such as magnetization steps and molecular hysteresis curves. Moreover, it can also provide the energy levels splitting and avefunctions composition, especially if coupled with microwave radiation....

  2. Breakdowns in Coordination Between Air Traffic Controllers

    Science.gov (United States)

    Bearman, Chris; Orasanu, Judith; Miller, Ronald C.

    2011-01-01

    This talk outlines the complexity of coordination in air traffic control, introduces the NextGen technologies, identifies common causes for coordination breakdowns in air traffic control and examines whether these causes are likely to be reduced with the introduction of NextGen technologies. While some of the common causes of breakdowns will be reduced in a NextGen environment this conclusion should be drawn carefully given the current stage of development of the technologies and the observation that new technologies often shift problems rather than reduce them.

  3. Coordinating knowledge transfer within manufacturing networks

    DEFF Research Database (Denmark)

    Yang, Cheng; Johansen, John; Boer, Harry

    2008-01-01

    Along with increasing globalization, the management of international manufacturing networks is becoming increasingly important for industrial companies. This paper mainly focuses on the coordination of knowledge transfer within manufacturing networks. In this context, we propose the time......-place matrix as a tool for mapping the distribution of knowledge within manufacturing networks. Using this tool, four important questions about the coordination of knowledge transfer within a manufacturing network are identified: know-where, know-what, know-when, know-how to transfer. The relationships among...

  4. A cyclam core dendrimer containing dansyl and oligoethylene glycol chains in the branches: protonation and metal coordination.

    Science.gov (United States)

    Branchi, Barbara; Ceroni, Paola; Bergamini, Giacomo; Balzani, Vincenzo; Maestri, Mauro; van Heyst, Jeroen; Lee, Sang-Kyu; Luppertz, Friedhelm; Vögtle, Fritz

    2006-12-04

    We have synthesized a dendrimer (1) consisting of a 1,4,8,11-tetraazacyclotetradecane (cyclam) core, appended with four benzyl substituents that carry, in the 3- and 5-positions, a dansyl amide derivative (of type 2), in which the amide hydrogen is replaced by a benzyl unit that carries an oligoethylene glycol chain in the 3- and 5-positions. All together, the dendrimer contains 16 potentially luminescent moieties (eight dansyl- and eight dimethoxybenzene-type units) and three distinct types of multivalent sites that, in principle, can be protonated or coordinated to metal ions (the cyclam nitrogen atoms, the amine moieties of the eight dansyl units, and the 16 oligoethylene glycol chains). We have studied the absorption and luminescence properties of 1, 2, and 3 in acetonitrile and the changes taking place upon titration with acid and a variety of divalent (Co2+, Ni2+, Cu2+, Zn2+), and trivalent (Nd3+, Eu3+, Gd3+) metal ions as triflate and/or nitrate salts. The results obtained show that: 1) double protonation of the cyclam ring takes place before protonation of the dansyl units; 2) the oligoethylene glycol chains do not interfere with protonation of the cyclam core and the dansyl units in the ground state, but affect the luminescence of the protonated dansyl units; 3) the first equivalent of metal ion is coordinated by the cyclam core; 4) the interaction of the resulting cyclam complex with the appended dansyl units depends on the nature of the metal ion; 5) coordination of metal ions by the dansyl units follows at high metal-ion concentrations; 6) the effect of the metal ion depends on the nature of the counterion. This example demonstrates that dendrimers may exhibit complete functionality resulting from the integration of the specific properties of their component units.

  5. Spectroscopic and Collisional Data for Tungsten from 1 eV to 20 keV. Summary Report of the Final Research Coordination Meeting

    International Nuclear Information System (INIS)

    Chung, H.-K.; Beiersdorfer, P.; Müller, A.; Ralchenko, Yu.; Braams, B. J.

    2014-12-01

    The final Research Coordination Meeting of a coordinated research project (CRP) on spectroscopic and collisional data for tungsten ions in fusion plasma was held at IAEA Headquarters with 17 external experts representing 14 research groups and staff from the International Atomic Energy Agency. Participants summarized their research during the CRP and made plans for a final report. The proceedings and conclusions of the meeting are summarized here. (author)

  6. Spectroscopic and Collisional Data for Tungsten from 1 eV to 20 keV. Summary Report of the First Research Coordination Meeting

    International Nuclear Information System (INIS)

    Braams, B.J.; Chung, H.-K.

    2012-06-01

    Experts representing 14 research groups and the International Atomic Energy Agency met at IAEA Headquarters for the first research coordination meeting of a coordinated research project (CRP) on spectroscopic and collisional data for tungsten ions in fusion plasma. Participants presented their research following which a work plan was developed for the remainder of the CRP and outstanding data needs were identified. The proceedings and conclusions of the meeting are summarized here. (author)

  7. Vacuum Arc Ion Sources

    CERN Document Server

    Brown, I.

    2013-12-16

    The vacuum arc ion source has evolved into a more or less standard laboratory tool for the production of high-current beams of metal ions, and is now used in a number of different embodiments at many laboratories around the world. Applications include primarily ion implantation for material surface modification research, and good performance has been obtained for the injection of high-current beams of heavy-metal ions, in particular uranium, into particle accelerators. As the use of the source has grown, so also have the operational characteristics been improved in a variety of different ways. Here we review the principles, design, and performance of vacuum arc ion sources.

  8. Heavy-ion radiography

    International Nuclear Information System (INIS)

    Fabrikant, J.I.; Tobias, C.A.; Holley, W.R.; Benton, E.V.; Woodruff, K.H.; MacFarland, E.W.

    1983-01-01

    High energy, heavy-ion beams offer superior discrimination of tissue electron densities at very low radiation doses. This characteristic has potential for diagnostic medical imaging of neoplasms arising in the soft tissues and organs because it can detect smaller inhomogeneities than x rays. Heavy-ion imaging may also increase the accuracy of cancer radiotherapy planning involving use of accelerated charged particles. In the current physics research program of passive heavy-ion imaging, critical modulation transfer function tests are being carried out in heavy-ion projection radiography and heavy-ion computerized tomography. The research goal is to improve the heavy-ion imaging method until it reaches the limits of its theoretical resolution defined by range straggling, multiple scattering, and other factors involved in the beam quality characteristics. Clinical uses of the imaging method include the application of heavy-ion computerized tomography to heavy-ion radiotherapy planning, to the study of brain tumors and other structures of the head, and to low-dose heavy-ion projection mammography, particularly for women with dense breasts where other methods of diagnosis fail. The ions used are primarily 300 to 570 MeV/amu carbon and neon ions accelerated at the Lawrence Berkeley Laboratory Bevalac

  9. Ion implantation into iron

    International Nuclear Information System (INIS)

    Iwaki, Masaya

    1978-01-01

    The distribution of implanted ions in iron, the friction characteristics and the corrosion of iron were studied. The distribution of Ni or Cr ions implanted into mild steel was measured. The accelerated voltage was 150 keV, and the beam current density was about 2 microampere/cm 2 . The measurement was made with an ion microanalyzer. The measured distribution was compared with that of LSS theory. Deep invasion of Ni was seen in the measured distribution. The distribution of Cr ions was different from the distribution calculated by the LSS theory. The relative friction coefficient of mild steel varied according to the dose of implanted Cu or N ions, and to the accelerating voltage. Formation of compound metals on the surfaces of metals by ion-implantation was investigated for the purpose to prevent the corrosion of metals. The resistance of mild steel in which Ni ions were implanted was larger than that of mild steel without any treatment. (Kato, T.)

  10. Crater formation by single ions, cluster ions and ion "showers"

    CERN Document Server

    Djurabekova, Flyura; Timko, Helga; Nordlund, Kai; Calatroni, Sergio; Taborelli, Mauro; Wuensch, Walter

    2011-01-01

    The various craters formed by giant objects, macroscopic collisions and nanoscale impacts exhibit an intriguing resemblance in shapes. At the same time, the arc plasma built up in the presence of sufficiently high electric fields at close look causes very similar damage on the surfaces. Although the plasma–wall interaction is far from a single heavy ion impact over dense metal surfaces or the one of a cluster ion, the craters seen on metal surfaces after a plasma discharge make it possible to link this event to the known mechanisms of the crater formations. During the plasma discharge in a high electric field the surface is subject to high fluxes (~1025 cm-2s-1) of ions with roughly equal energies typically of the order of a few keV. To simulate such a process it is possible to use a cloud of ions of the same energy. In the present work we follow the effect of such a flux of ions impinging the surface in the ‘‘shower’’ manner, to find the transition between the different mechanisms of crater formati...

  11. Optical effects of ion implantation

    International Nuclear Information System (INIS)

    Townsend, P.D.

    1987-01-01

    The review concerns the effects of ion implantation that specifically relate to the optical properties of insulators. Topics which are reviewed include: ion implantation, ion range and damage distributions, colour centre production by ion implantation, high dose ion implantation, and applications for integrated optics. Numerous examples are presented of both diagnostic and industrial examples of ion implantation effects in insulators. (U.K.)

  12. Copper Coordination in the Full-Length, Recombinant Prion Protein†

    Science.gov (United States)

    Burns, Colin S.; Aronoff-Spencer, Eliah; Legname, Giuseppe; Prusiner, Stanley B.; Antholine, William E.; Gerfen, Gary J.; Peisach, Jack; Millhauser, Glenn L.

    2010-01-01

    The prion protein (PrP) binds divalent copper at physiologically relevant conditions and is believed to participate in copper regulation or act as a copper-dependent enzyme. Ongoing studies aim at determining the molecular features of the copper binding sites. The emerging consensus is that most copper binds in the octarepeat domain, which is composed of four or more copies of the fundamental sequence PHGGGWGQ. Previous work from our laboratory using PrP-derived peptides, in conjunction with EPR and X-ray crystallography, demonstrated that the HGGGW segment constitutes the fundamental binding unit in the octarepeat domain [Burns et al. (2002) Biochemistry 41, 3991–4001; Aronoff-Spencer et al. (2000) Biochemistry 39, 13760–13771]. Copper coordination arises from the His imidazole and sequential deprotonated glycine amides. In this present work, recombinant, full-length Syrian hamster PrP is investigated using EPR methodologies. Four copper ions are taken up in the octarepeat domain, which supports previous findings. However, quantification studies reveal a fifth binding site in the flexible region between the octarepeats and the PrP globular C-terminal domain. A series of PrP peptide constructs show that this site involves His96 in the PrP(92–96) segment GGGTH. Further examination by X-band EPR, S-band EPR, and electron spin–echo envelope spectroscopy, demonstrates coordination by the His96 imidazole and the glycine preceding the threonine. The copper affinity for this type of binding site is highly pH dependent, and EPR studies here show that recombinant PrP loses its affinity for copper below pH 6.0. These studies seem to provide a complete profile of the copper binding sites in PrP and support the hypothesis that PrP function is related to its ability to bind copper in a pH-dependent fashion. PMID:12779334

  13. f-Element Ion Chelation in Highly Basic Media

    International Nuclear Information System (INIS)

    Paine, Robert T.

    1999-01-01

    High-level radioactive waste (HLW) generated in the DOE complex is stored in tanks at several sites, but predominantly it is found at the Hanford reservation. Much of the material has been exposed to high pHs, consequently the waste exists in a complex, poorly understood mixture of solids, gels and solutions. The final waste remediation plan may involve chemical separation of fractions and a suitable, well developed molecular chemistry basis for performing these separations is not available. Indeed, the fundamental chemical behavior of most radioactive nuclides in basic media is not known. The goal of this project is to undertake fundamental studies of the coordination chemistry of f-element species in basic aqueous solutions containing common waste treatment ions (e.g., NO3 -, CO3 2-, organic carboxylates, and EDTA), as well as new waste scrubbing chelators produced in this study. The experimental agenda includes: 1. Studies of the speciation of Sr and Ln ions in basic solutions wit h and without common counterions; 2. Preparations of new multifunctional ligands that may act as strong, ion-specific chelators for Sr and/or Ln ions in basic media; and 3. Studies of the coordination and dissolution behavior of oxide-hydroxide species, as well as in insoluble sols, gels, and precipitates in combination with new chelating ligands. It is anticipated that this coordination chemistry will facilitate the design of advanced separation schemes required for handling the complex waste matrices found at the Hanford HLW facility

  14. Complexation-induced supramolecular assembly drives metal-ion extraction.

    Science.gov (United States)

    Ellis, Ross J; Meridiano, Yannick; Muller, Julie; Berthon, Laurence; Guilbaud, Philippe; Zorz, Nicole; Antonio, Mark R; Demars, Thomas; Zemb, Thomas

    2014-09-26

    Combining experiment with theory reveals the role of self-assembly and complexation in metal-ion transfer through the water-oil interface. The coordinating metal salt Eu(NO3)3 was extracted from water into oil by a lipophilic neutral amphiphile. Molecular dynamics simulations were coupled to experimental spectroscopic and X-ray scattering techniques to investigate how local coordination interactions between the metal ion and ligands in the organic phase combine with long-range interactions to produce spontaneous changes in the solvent microstructure. Extraction of the Eu(3+)-3(NO3(-)) ion pairs involves incorporation of the "hard" metal complex into the core of "soft" aggregates. This seeds the formation of reverse micelles that draw the water and "free" amphiphile into nanoscale hydrophilic domains. The reverse micelles interact through attractive van der Waals interactions and coalesce into rod-shaped polynuclear Eu(III) -containing aggregates with metal centers bridged by nitrate. These preorganized hydrophilic domains, containing high densities of O-donor ligands and anions, provide improved Eu(III) solvation environments that help drive interfacial transfer, as is reflected by the increasing Eu(III) partitioning ratios (oil/aqueous) despite the organic phase approaching saturation. For the first time, this multiscale approach links metal-ion coordination with nanoscale structure to reveal the free-energy balance that drives the phase transfer of neutral metal salts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Ion beam stabilization in ion implantation equipment

    International Nuclear Information System (INIS)

    Pina, L.

    1973-01-01

    The results are presented of experimental efforts aimed at ion beam current stabilization in an equipment for ion implantation in solids. The related problems of power supplies are discussed. Measured characteristics of laboratory equipment served the determination of the parameters to be required of the supplies as well as the design and the construction of the supplies. The respective wiring diagram is presented. (J.K.)

  16. Mathematical Abstraction: Constructing Concept of Parallel Coordinates

    Science.gov (United States)

    Nurhasanah, F.; Kusumah, Y. S.; Sabandar, J.; Suryadi, D.

    2017-09-01

    Mathematical abstraction is an important process in teaching and learning mathematics so pre-service mathematics teachers need to understand and experience this process. One of the theoretical-methodological frameworks for studying this process is Abstraction in Context (AiC). Based on this framework, abstraction process comprises of observable epistemic actions, Recognition, Building-With, Construction, and Consolidation called as RBC + C model. This study investigates and analyzes how pre-service mathematics teachers constructed and consolidated concept of Parallel Coordinates in a group discussion. It uses AiC framework for analyzing mathematical abstraction of a group of pre-service teachers consisted of four students in learning Parallel Coordinates concepts. The data were collected through video recording, students’ worksheet, test, and field notes. The result shows that the students’ prior knowledge related to concept of the Cartesian coordinate has significant role in the process of constructing Parallel Coordinates concept as a new knowledge. The consolidation process is influenced by the social interaction between group members. The abstraction process taken place in this group were dominated by empirical abstraction that emphasizes on the aspect of identifying characteristic of manipulated or imagined object during the process of recognizing and building-with.

  17. Spectroscopic, thermal and biological studies of coordination

    Indian Academy of Sciences (India)

    Spectroscopic, thermal and biological studies of coordination compounds of sulfasalazine drug: Mn(II), Hg(II), Cr(III), ZrO(II), VO(II) and Y(III) transition metal ... The thermal decomposition of the complexes as well as thermodynamic parameters ( *}, *, * and *) were estimated using Coats–Redfern and ...

  18. Quadratic independence of coordinate functions of certain ...

    Indian Academy of Sciences (India)

    ... are `quadratically independent' in the sense that they do not satisfy any nontrivial homogeneous quadratic relations among them. Using this, it is proved that there is no genuine compact quantum group which can act faithfully on C ( M ) such that the action leaves invariant the linear span of the above coordinate functions.

  19. Supply chain coordination in industrial symbiosis

    DEFF Research Database (Denmark)

    Herczeg, Gabor; Akkerman, Renzo; Hauschild, Michael Zwicky

    2013-01-01

    Industrial symbiosis (IS) is a form of supply chain cooperation in industrial networks in order to achieve collective benefits by leveraging each other’s by-products and sharing services and utilities. This paper investigates the concept of IS from the perspective of supply chain coordination (SC...

  20. Legal Coordinator | IDRC - International Development Research ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Develops systems and procedures for administering and tracking legal undertakings, coordinates and consolidates the legal information in order to meet deadlines. • Collaborates with the Secretary and General Counsel to ensure that all legal issues are handled efficiently, while respecting the highly confidential nature of ...

  1. Coordination models Orc and Reo compared

    NARCIS (Netherlands)

    J.M.P. Proença (Jose); D.G. Clarke (David)

    2008-01-01

    htmlabstractOrc and Reo are two complementary approaches to the problem of coordinating components or services. On one hand, Orc is highly asynchronous, dynamic, and based on ephemeral connections to services. On the other hand, Reo is based on the interplay between synchronization and mutual

  2. Motivation, Coordination and Cognition in Cooperatives

    NARCIS (Netherlands)

    L. Feng (Li)

    2010-01-01

    textabstractA cooperative is a firm collectively owned by many independent input suppliers or buyers. This dissertation examines the nature of a cooperative and its efficiency compared with other governance structures from the perspectives of motivation, coordination and cognition. We find that the

  3. Coordinated Collaboration between Heterogeneous Distributed Energy Resources

    Directory of Open Access Journals (Sweden)

    Shahin Abdollahy

    2014-01-01

    Full Text Available A power distribution feeder, where a heterogeneous set of distributed energy resources is deployed, is examined by simulation. The energy resources include PV, battery storage, natural gas GenSet, fuel cells, and active thermal storage for commercial buildings. The resource scenario considered is one that may exist in a not too distant future. Two cases of interaction between different resources are examined. One interaction involves a GenSet used to partially offset the duty cycle of a smoothing battery connected to a large PV system. The other example involves the coordination of twenty thermal storage devices, each associated with a commercial building. Storage devices are intended to provide maximum benefit to the building, but it is shown that this can have a deleterious effect on the overall system, unless the action of the individual storage devices is coordinated. A network based approach is also introduced to calculate some type of effectiveness metric to all available resources which take part in coordinated operation. The main finding is that it is possible to achieve synergy between DERs on a system; however this required a unified strategy to coordinate the action of all devices in a decentralized way.

  4. 77 FR 778 - Council Coordination Committee Meeting

    Science.gov (United States)

    2012-01-06

    ... Coordination Committee Meeting AGENCY: National Marine Fisheries Service (NMFS), National Oceanic and... Resources, Habitat Blueprint, Managing Our Nations III Conference, and other topics related to... p.m.--Habitat Blueprint. 2:30 p.m.-3:30 p.m.--Managing Our Nation's Fisheries (MONF) III Conference...

  5. Attentional Demands on Motor-Respiratory Coordination

    Science.gov (United States)

    Hessler, Eric E.; Amazeen, Polemnia G.

    2009-01-01

    Athletic performance requires the pacing of breathing with exercise, known as motor-respiratory coordination (MRC). In this study, we added cognitive and physical constraints while participants intentionally controlled their breathing locations during rhythmic arm movement. This is the first study to examine a cognitive constraint on MRC.…

  6. Stochastic Strategy Adjustment in Coordination Games

    NARCIS (Netherlands)

    Kosfeld, M.

    1999-01-01

    We explore a model of equilibrium selection in coordination games, where agents stochastically adjust their strategies to changes in their local environment. Instead of playing perturbed best-response, we assume that agents follow a rule of "switching to better strategies more likely". We relate

  7. Health Coordination Manual. Head Start Health Services.

    Science.gov (United States)

    Administration for Children, Youth, and Families (DHHS), Washington, DC. Head Start Bureau.

    Part 1 of this manual on coordinating health care services for Head Start children provides an overview of what Head Start health staff should do to meet the medical, mental health, nutritional, and/or dental needs of Head Start children, staff, and family members. Offering examples, lists, action steps, and charts for clarification, part 2…

  8. Developmental coordination disorder: evaluation and treatment.

    NARCIS (Netherlands)

    Leemrijse, C.

    2003-01-01

    A child's popularity is often related to his or her proficiency in sports and games, and children value physical competence highly. The movement difficulties of children with developmental coordination disorder (DCD) often invite ridicule from their peers. Children with DCD have a poor motor

  9. INFCE technical co-ordinating committee documents

    Energy Technology Data Exchange (ETDEWEB)

    None

    1980-07-01

    A collection of the documents covering the period December 1977 through February 1980 submitted to or generated by the Technical Co-ordinating Comittee is presented. The documents cover primarily the organizational aspects of INFCE, but conclusions from the various Working Groups are summarized.

  10. Neuromuscular Control and Coordination during Cycling

    Science.gov (United States)

    Li, Li

    2004-01-01

    The neuromuscular control aspect of cycling has been investigated through the effects of modifying posture and cadence. These studies show that changing posture has a more profound influence on neuromuscular coordination than does changing slope. Most of the changes with standing posture occur late in the downstroke: increased ankle and knee joint…

  11. Field test of coordinated ramp metering (CRM).

    Science.gov (United States)

    2017-03-15

    This project has focused on field implementation and testing of a Coordinated Ramp Metering (CRM) algorithm at California State Route 99 : Northbound corridor in Sacramento between Calvine Road and the SR50 interchange after 12th Ave. It is a 9 mile ...

  12. Self-Defense Distributed Engagement Coordinator

    Science.gov (United States)

    2016-02-01

    Distributed Engagement Coordinator MIT Lincoln Laboratory helped develop a unique decision support tool that automatically evaluates responses to...Laboratory researchers collaborated with scientists from the Operations Research Center at MIT’s Sloan School of Management to apply modern computational...epidemic.  A Technology Solution MIT Lincoln Laboratory, in collaboration with the Office of Naval Research (ONR), has developed an automated

  13. Coordinating Council. Ninth Meeting: Total Quality Management

    Science.gov (United States)

    1992-01-01

    This report summarizes the 9th meeting of the STI Coordinating Council. The council listened to the speakers' understanding of Total Quality Management (TQM) principles and heard stories of successful applications of these principles. Definitions of quality stated were focused on customer satisfaction. Reports presented by the speakers are also included.

  14. INFCE technical co-ordinating committee documents

    International Nuclear Information System (INIS)

    A collection of the documents covering the period December 1977 through February 1980 submitted to or generated by the Technical Co-ordinating Comittee is presented. The documents cover primarily the organizational aspects of INFCE, but conclusions from the various Working Trays are summarized

  15. 47 CFR 15.525 - Coordination requirements.

    Science.gov (United States)

    2010-10-01

    ... the UWB device. If the imaging device is intended to be used for mobile applications, the geographical... Government through the National Telecommunications and Information Administration. The information provided... coordination of routine UWB operations shall not take longer than 15 business days from the receipt of the...

  16. Protection coordination: Determination of break point set

    NARCIS (Netherlands)

    Madani, S.M.; Rijanto, H.

    1998-01-01

    Modern power system networks are often multiloop structured. The co-ordinated setting of overcurrent and distance protective relays in such networks is tedious and time consuming. The complicated part of this problem is the determination of a proper minimum set of relays, the so-called minimum

  17. 77 FR 260 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2012-01-04

    ... USDA and the broader forestry sector, with specific focus on owners of non-industrial private... Coordinator, by phone at (202) 205-1376 or by email at [email protected]us or Ted Beauvais, FRCC Designted Federal Officer, by phone (202) 205-1190 or by email at [email protected]us . Individuals who use...

  18. 78 FR 6806 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-01-31

    .... Department of Agriculture, and coordination with State agencies and the private sector, to effectively address the national priorities for non- industrial private forest land. The purpose of the meeting is... [email protected]us . All comments, including names and addresses when provided, are placed in the record...

  19. 78 FR 73819 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-12-09

    ..., Conservation, and Energy Act of 2008 (Pub. L. 110-246). Additional information on the Forest Resource... into the Whitten Building. FOR FURTHER INFORMATION CONTACT: Maya Solomon, Forest Resource Coordinating... forest health, and landscape scale conservation and management. The meeting is open to the public. All...

  20. Children Use Salience to Solve Coordination Problems

    Science.gov (United States)

    Grueneisen, Sebastian; Wyman, Emily; Tomasello, Michael

    2015-01-01

    Humans are routinely required to coordinate with others. When communication is not possible, adults often achieve this by using salient cues in the environment (e.g. going to the Eiffel Tower, as an obvious meeting point). To explore the development of this capacity, we presented dyads of 3-, 5-, and 8-year-olds (N = 144) with a coordination…