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Sample records for coordination compounds

  1. Penta-coordinate phosphorous compounds and biochemistry

    Institute of Scientific and Technical Information of China (English)

    林长学; 李艳梅; 成昌梅; 韩波; 万荣; 冯亚兵; 赵玉芬

    2002-01-01

    The relationship between penta-coordinate phosphorus compounds and biochemistry is briefly reviewed. Some interesting phenomena such as peptide formation, ester formation, ester exchange on phosphorus and N to O migration occur at room temperature when the amino group of amino acid is associated with phosphoryl group. Serine or threonine in conjugate of nucleoside-amino acid could recognize different nucleobases. N-phosphoryl Histine and Ser-His dipeptide could cleavage nucleic acid, protein and ester in neutral medium. It is found that the above phenomena all undergo penta-coordinate intermediate of phosphorus atom, which is proposed as the key factor to determine their activities.

  2. Penta-coordinate phosphorous compounds and biochemistry

    Institute of Scientific and Technical Information of China (English)

    林长学; 韩波; 赵玉芬; 万荣; 李艳梅; 冯亚兵; 成昌梅

    2002-01-01

    The relationship between penta-coordinate phosphorus compounds and biochemistry is briefly reviewed. Some interesting phenomena such as peptide formation, ester formation, ester exchange on phosphorus and N to O migration occur at room temperature when the amino group of amino acid is associated with phosphoryl group. Serine or threonine in conjugate of nucleo-side-amino acid could recognize different nucleobases. N-phosphoryl Histine and Ser-His dipep-tide could cleavage nucleic acid, protein and ester in neutral medium. It is found that the above phenomena all undergo penta-coordinate intermediate of phosphorus atom, which is proposed as the key factor to determine their activities.

  3. Spin state switching in iron coordination compounds

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    Philipp Gütlich

    2013-02-01

    Full Text Available The article deals with coordination compounds of iron(II that may exhibit thermally induced spin transition, known as spin crossover, depending on the nature of the coordinating ligand sphere. Spin transition in such compounds also occurs under pressure and irradiation with light. The spin states involved have different magnetic and optical properties suitable for their detection and characterization. Spin crossover compounds, though known for more than eight decades, have become most attractive in recent years and are extensively studied by chemists and physicists. The switching properties make such materials potential candidates for practical applications in thermal and pressure sensors as well as optical devices.The article begins with a brief description of the principle of molecular spin state switching using simple concepts of ligand field theory. Conditions to be fulfilled in order to observe spin crossover will be explained and general remarks regarding the chemical nature that is important for the occurrence of spin crossover will be made. A subsequent section describes the molecular consequences of spin crossover and the variety of physical techniques usually applied for their characterization. The effects of light irradiation (LIESST and application of pressure are subjects of two separate sections. The major part of this account concentrates on selected spin crossover compounds of iron(II, with particular emphasis on the chemical and physical influences on the spin crossover behavior. The vast variety of compounds exhibiting this fascinating switching phenomenon encompasses mono-, oligo- and polynuclear iron(II complexes and cages, polymeric 1D, 2D and 3D systems, nanomaterials, and polyfunctional materials that combine spin crossover with another physical or chemical property.

  4. Synthesis and Characterization of Heteropoly Coordination Compounds Containing Optical Ligands

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@Introduction   The heteropolyanion phase transfer chemistry created by Pope M. T. In 1984 has opened up a new field for heteropoly compound research[1-3]. But substituting coordination water molecules by organic optically active ligand has not been reported in literatures until 1997[4].

  5. Synthesis, structural and fungicidal studies of hydrazone based coordination compounds.

    Science.gov (United States)

    Sharma, Amit Kumar; Chandra, Sulekh

    2013-02-15

    The coordination compounds of the Co(II), Ni(II) and Cu(II) metal ions derived from imine based ligand, benzil bis(carbohydarzone) were structurally and pharmaceutically studied. The compounds have the general stoichiometry [M(L)]X(2) and [Co(L)X(2)], where M=Ni(II) and Cu(II), and X=NO(3)(-) and Cl(-) ions. The analytical techniques like elemental analyses, molar conductance measurements, magnetic susceptibility measurements, IR, UV/Visible, NMR, ESI mass and EPR were used to study the compounds. The key IR bands, i.e., amide I, amide II and amide III stretching vibrations accounts for the tetradentate metal binding nature of the ligand. The electronic and EPR spectral results suggest the square planar Ni(II) and Cu(II) complexes (g(iso)=2.11-2.22) and tetragonal geometry Co(II) complexes (g(iso)=2.10-2.17). To explore the compounds in the biological field, they were examined against the opportunistic pathogens, i.e., Alternaria brassicae, Aspergillus niger and Fusarium oxysporum. The partial covalent character of metal-ligand bond is supported by the orbital reduction factor k (0.62-0.92) and nephalauxetic parameter β (0.55-0.57).

  6. Structural Representation of Organometallics and Coordination Compounds and a Recommended Representation by Use of Dashed Lines

    Directory of Open Access Journals (Sweden)

    Shu-Kun Lin

    2002-12-01

    Full Text Available By using broken lines to represent coordination interactions in organometallic and other coordinated compounds, we can draw structures satisfying the valencies of the atoms present. These broken lines should be used to replace many false single covalent bonds now used to depict organometallic and coordinated compounds. Chemical drawing software should not recognize such broken lines as single covalent bonds and they should be ignored. An example of confusing and erroneous structural representation of organometallics and coordination compounds is discussed.

  7. Investigations on organozinc compounds XII. Coordination chemistry of organozinc compounds RZnX: Organozinc compounds of the type EtZnNPhCSZ

    NARCIS (Netherlands)

    Boersma, J.; Noltes, J.G.

    1969-01-01

    The coordination chemistry of the organozinc-nitrogen compounds EtZnNPhCSZ (Z = H, Me, OMe, SMe and NPh2) has been studied. Whereas the benzeneinsoluble EtZnNPhCSH appears to be a coordination polymer, all the other compounds occur as dimers in benzene solution. A structure with four-coordinate zinc

  8. Investigations on organozinc compounds XII. Coordination chemistry of organozinc compounds RZnX: Organozinc compounds of the type EtZnNPhCSZ

    NARCIS (Netherlands)

    Boersma, J.; Noltes, J.G.

    The coordination chemistry of the organozinc-nitrogen compounds EtZnNPhCSZ (Z = H, Me, OMe, SMe and NPh2) has been studied. Whereas the benzeneinsoluble EtZnNPhCSH appears to be a coordination polymer, all the other compounds occur as dimers in benzene solution. A structure with four-coordinate zinc

  9. Highly cytotoxic DNA-interacting copper(II) coordination compounds.

    Science.gov (United States)

    Brissos, Rosa F; Torrents, Ester; dos Santos Mello, Francyelli Mariana; Carvalho Pires, Wanessa; Silveira-Lacerda, Elisângela de Paula; Caballero, Ana B; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J; Gamez, Patrick

    2014-10-01

    Four new Schiff-base ligands have been designed and prepared by condensation reaction between hydrazine derivatives (i.e. 2-hydrazinopyridine or 2-hydrazinoquinoline) and mono- or dialdehyde (3-tert-butyl-2-hydroxybenzaldehyde and 5-tert-butyl-2-hydroxyisophthalaldehyde, respectively). Six copper(II) coordination compounds of various nuclearities have been obtained from these ligands, which are formulated as [Cu(L1)Cl](CH3OH) (1), [Cu(L2)NO3] (2), [Cu2(L3)(ClO4)2(CH3O)(CH3OH)](CH3OH) (3), [Cu2(L4)(ClO4)(OH)(CH3OH)](ClO4) (4), [Cu8(L3)4(NO3)4(OH)5](NO3)3(CH3OH)5(H2O)8 (5) and [Cu3(HL2')4Cl6](CH3OH)6 (6), as revealed by single-crystal X-ray studies. Their DNA-interacting abilities have been investigated using different characterization techniques, which suggest that the metal complexes act as efficient DNA binders. Moreover, cytotoxicity assays with several cancer cell lines show that some of them are very active, as evidenced by the sub-micromolar IC50 values achieved in some cases.

  10. A new form of sulphur in coal: the discovery of an iron-sulphur coordination compound

    Energy Technology Data Exchange (ETDEWEB)

    Baruah, M.K.; Gogoi, P.C. [NNS College, Titabar (India). Dept. of Chemistry

    1998-07-01

    An iron-sulphur coordination compound in coal has been identified for the first time. Isolation of the compound from a high sulphur Indian coal sample was performed by extracting with tetrahydrofuran followed by methanol and ultimately separated by thin layer chromatography. Characterization of the compound by proton n.m.r., i.r., u.v. and chemical analyses of iron and sulphur reveals that iron atoms are bonded to thiophenic, aliphatic and inorganic sulphur atoms. Geochemical studies have revealed that the main sources of sulphur are inorganic and sulphur amino acids mostly cysteine, cystine and methionine. Identification of the coordination compound has confirmed the nature and occurrence of secondary sulphur in coal. This compound is considered to be a new form of sulphur because it is neither purely pyritic nor organic sulphur. The discovery of the Fe-S coordination compound is a great concern for the determination of the sulphur forms in coal. 50 refs., 3 figs.

  11. Cobalt(II) and Cobalt(III) Coordination Compounds.

    Science.gov (United States)

    Thomas, Nicholas C.; And Others

    1989-01-01

    Presents a laboratory experiment which illustrates the formation of tris(phenanthroline)cobalt complexes in the 2+ and 3+ oxidation states, the effect of coordination on reactions of the ligand, and the use of a ligand displacement reaction in recovering the transformed ligand. Uses IR, UV-VIS, conductivity, and NMR. (MVL)

  12. Rational design of metal coordination compounds with azomethine ligands

    Energy Technology Data Exchange (ETDEWEB)

    Garnovskii, Alexander D; Vasil' chenko, Igor S [Institute of Physical and Organic Chemistry, Rostov State University, Rostov-on-Don (Russian Federation)

    2002-11-30

    This review surveys the state of art in the coordination chemistry of chelating azomethine systems, viz., amino(hydroxy)-azomethines, {beta}-aminovinyl ketones, {beta}-aminovinylimines and their sulfur- and selenium-containing analogues. Variations in the fine structure of azomethine ligands allow one to perform the targeted synthesis of chelate and molecular, mono-, bi- and polynuclear, homo- and heterometallic structures. The bibliography includes 425 reference000.

  13. Coordination Control Strategy for Compound Fault of MMC-HVDC

    OpenAIRE

    Zhang Ming Guang; Zhang Zhao Yu; Qiu Li Jie; Chen Xi

    2016-01-01

    Single-line to ground fault of DC side and sub-module fault are typical faults of MMC-HVDC. When each of the above faults occurs, the system will give a signal for circuit-breaker releasing, this will result in interruption of power delivery, the stability of the system is greatly reduced. When these two faults occur simultaneously, research on control strategy for compound fault will help to improve the reliability of the system. While single-line to ground fault of DC side happens, only the...

  14. Coordination Control Strategy for Compound Fault of MMC-HVDC

    Directory of Open Access Journals (Sweden)

    Zhang Ming Guang

    2016-01-01

    Full Text Available Single-line to ground fault of DC side and sub-module fault are typical faults of MMC-HVDC. When each of the above faults occurs, the system will give a signal for circuit-breaker releasing, this will result in interruption of power delivery, the stability of the system is greatly reduced. When these two faults occur simultaneously, research on control strategy for compound fault will help to improve the reliability of the system. While single-line to ground fault of DC side happens, only the electric potential auxiliary point of DC side is changed, system’s power transport normally. When sub-module is fault, redundancy fault-tolerated control strategy is presented, which replace the failed sub-modules with equal number of redundant sub-modules, it can restrain the fluctuation of direct current. A double terminals and 21 voltage-level MMC-HVDC system simulation model is set up in PSCAD/EMTDC. From the computation and simulation results, it is concluded that the proposed control strategy is correct for above compound fault, it can achieve rapid recovery after faults, effectively improve fault tolerance of the system, develop the stability and reliability of the system.

  15. Investigations on organozinc compounds XI. Coordination chemistry of organozinc compounds RZnX: organozinc-nitrogen compounds of the type EtZnNPhCOZ

    NARCIS (Netherlands)

    Noltes, J.G.; Boersma, J.

    The coordination chemistry of the organozinc-nitrogen compounds EtZnNPh2 and EtZnNPhCOZ (Z=H, Me, OMe, SMe and NPh2) has been studied. Whereas EtZnNPh2 is dimeric [as in Zn(NPh2)2], with three-coordinate zinc, replacement of a Ph group in EtZnNPh2 by COZ leads to higher association and

  16. A method for topological analysis of high nuclearity coordination clusters and its application to Mn coordination compounds.

    Science.gov (United States)

    Kostakis, George E; Blatov, Vladislav A; Proserpio, Davide M

    2012-04-21

    A novel method for the topological description of high nuclearity coordination clusters (CCs) was improved and applied to all compounds containing only manganese as a metal center, the data on which are collected in the CCDC (CCDC 5.33 Nov. 2011). Using the TOPOS program package that supports this method, we identified 539 CCs with five or more Mn centers adopting 159 topologically different graphs. In the present database all the Mn CCs are collected and illustrated in such a way that can be searched by cluster topological symbol and nuclearity, compound name and Refcode. The main principles for such an analysis are described herein as well as useful applications of this method.

  17. Synthesis, Characterization, and Antimicrobial Activities of Coordination Compounds of Aspartic Acid

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    T. O. Aiyelabola

    2016-01-01

    Full Text Available Coordination compounds of aspartic acid were synthesized in basic and acidic media, with metal ligand M : L stoichiometric ratio 1 : 2. The complexes were characterized using infrared, electronic and magnetic susceptibility measurements, and mass spectrometry. Antimicrobial activity of the compounds was determined against three Gram-positive and three Gram-negative bacteria and one fungus. The results obtained indicated that the availability of donor atoms used for coordination was a function of the pH of the solution in which the reaction was carried out. This resulted in varying geometrical structures for the complexes. The compounds exhibited a broad spectrum of activity and in some cases better activity than the standard.

  18. Synthesis and crystal structures of coordination compounds of pyridoxine with zinc and cadmium sulfates

    Science.gov (United States)

    Furmanova, N. G.; Berdalieva, Zh. I.; Chernaya, T. S.; Resnyanskiĭ, V. F.; Shiitieva, N. K.; Sulaĭmankulov, K. S.

    2009-03-01

    The pyridoxine complexes with zinc and cadmium sulfates are synthesized. The IR absorption spectra and thermal behavior of the synthesized compounds are described. Crystals of the [ M(C8H11O3N)2(H2O)2]SO4 · 3H2O ( M = Zn, Cd) compounds are investigated using X-ray diffraction. In the structures of both compounds, the M atoms are coordinated by the oxygen atoms of the deprotonated OH group and the CH2OH group retaining its own hydrogen atom, as well as by two H2O molecules, and have an octahedral coordination. The nitrogen atom of the heterocycle is protonated, so that the heterocycle acquires a pyridinium character. The cationic complexes form layers separated by the anions and crystallization water molecules located in between. The structural units of the crystals are joined together by a complex system of hydrogen bonds.

  19. Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethylpyridine as Co-ligand

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    Stefan Suckert

    2016-04-01

    Full Text Available Reaction of Co(NCS2 with 4-(hydroxymethylpyridine (hmpy leads to the formation of six new coordination compounds with the composition [Co(NCS2(hmpy4] (1, [Co(NCS2(hmpy4] × H2O (1-H2O, [Co(NCS2(hmpy2(EtOH2] (2, [Co(NCS2(hmpy2(H2O2] (3, [Co(NCS2(hmpy2]n∙4 H2O (4 and [Co(NCS2(hmpy2]n (5. They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete complexes, in which the Co(II cations are octahedrally coordinated by two terminal thiocyanato anions and four 4-(hydroxymethylpyridine ligands. Discrete complexes were also observed for compounds 2 and 3 where two of the hmpy ligands were substituted by solvent, either water (3 or ethanol (2. In contrast, in compounds 4 and 5, the Co(II cations are linked into chains by bridging 4-(hydroxymethylpyridine ligands. The phase purity was checked with X-ray powder diffraction. Thermogravimetric measurements showed that compound 3 transforms into 5 upon heating, whereas the back transformation occurs upon resolvation. Magnetic measurements did not show any magnetic exchange via the hmpy ligand for compound 5.

  20. Ligand Exchange Between Penta-Coordinated Phosphoryl Serine and Histidine Compounds

    Institute of Scientific and Technical Information of China (English)

    曹书霞; 牛明玉; 苏玉倩; 廖新成; 卢奎; 赵玉芬

    2003-01-01

    With the assistance of HPLC-ESI-MS/MS, the self-assembly products of serine and histidine penta-coordinated phosphorus compound were separated and identified. The expectative product was seryl-histidine dipeptide, but it was found that there was almost equimolar amount of histidyl-histidine dipeptide as well as seryl-histidine dipeptide. The mechanism was speculated that there was iigand exchange between penta-coordinated phosphoryl serine and histidine in the reaction process. As a result,two types of dipeptide were produced.

  1. Infrared and Raman spectra of inorganic and coordination compounds theory and applications in inorganic chemistry

    CERN Document Server

    Nakamoto, Kazuo

    2008-01-01

    The Sixth Edition of this classic work comprises the most comprehensive and current guide to infrared and Raman spectra of inorganic, organometallic, bioinorganic, and coordination compounds. From fundamental theories of vibrational spectroscopy to applications in a variety of compound types, this has been extensively updated. New topics include the theoretical calculations of vibrational frequencies (DFT method), chemical synthesis by matrix co-condensation reactions, time-resolved Raman spectroscopy, and more. This volume is a core reference for chemists and medical professionals working with infrared or Raman spectroscopies and an excellent textbook for graduate courses.

  2. COORDINATION COMPOUNDS OF OXOVANADIUM(IV BASED ON S-METHYLISOTHIOSEMICARBAZIDE AS DYES FOR THERMOPLASTIC POLYMERS

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    Maria Cocu

    2015-12-01

    Full Text Available We have investigated the properties as dyes of coordination compounds synthesized by us previously (8-(1',2'-naphthyl-1-R-3-methyl-6-thiomethyl-4,5,7-triazanona-1,3,5,7-tetraenato-1,1'-diolato(--O1, O1', N4, N7-vanadil, where R=CH3 (1 , C6H5 (2, which can be used for colouring thermoplastic masses. The compounds have a high photostability (7 points, thermostability (>250° and an intensity of colour that give a low consumption (0.006-0.010g.

  3. Synthesis and Characterisation of a Novel Phosphonate Ligand and Its Palladium(II Coordination Compound

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    Olesea Cuzan

    2017-06-01

    Full Text Available The novel N-(methylene-2-pyridine-N,N-bis(diethoxyphosphorylmethylamine ligand (L was obtained through a double Kabachnik-Fields reaction, starting from 2-aminomethyl pyridine (2-picolylamine. Based on the L ligand, a new palladium(II coordination compound [Pd(L2Cl2] has been synthetized and comprehensively characterized by spectroscopic methods (1H NMR, UV-Vis, ESI mass spectrometry and X-ray crystallography.

  4. Syntheses, Characterization, Resolution, and Biological Studies of Coordination Compounds of Aspartic Acid and Glycine

    Science.gov (United States)

    Akinkunmi, Ezekiel; Ojo, Isaac; Adebajo, Clement; Isabirye, David

    2017-01-01

    Enantiomerically enriched coordination compounds of aspartic acid and racemic mixtures of coordination compounds of glycine metal-ligand ratio 1 : 3 were synthesized and characterized using infrared and UV-Vis spectrophotometric techniques and magnetic susceptibility measurements. Five of the complexes were resolved using (+)-cis-dichlorobis(ethylenediamine)cobalt(III) chloride, (+)-bis(glycinato)(1,10-phenanthroline)cobalt(III) chloride, and (+)-tris(1,10-phenanthroline)nickel(II) chloride as resolving agents. The antimicrobial and cytotoxic activities of these complexes were then determined. The results obtained indicated that aspartic acid and glycine coordinated in a bidentate fashion. The enantiomeric purity of the compounds was in the range of 22.10–32.10%, with (+)-cis-dichlorobis(ethylenediamine)cobalt(III) complex as the more efficient resolving agent. The resolved complexes exhibited better activity in some cases compared to the parent complexes for both biological activities. It was therefore inferred that although the increase in the lipophilicity of the complexes may assist in the permeability of the complexes through the cell membrane of the pathogens, the enantiomeric purity of the complexes is also of importance in their activity as antimicrobial and cytotoxic agents. PMID:28293149

  5. Syntheses, Characterization, Resolution, and Biological Studies of Coordination Compounds of Aspartic Acid and Glycine.

    Science.gov (United States)

    Aiyelabola, Temitayo; Akinkunmi, Ezekiel; Ojo, Isaac; Obuotor, Efere; Adebajo, Clement; Isabirye, David

    2017-01-01

    Enantiomerically enriched coordination compounds of aspartic acid and racemic mixtures of coordination compounds of glycine metal-ligand ratio 1 : 3 were synthesized and characterized using infrared and UV-Vis spectrophotometric techniques and magnetic susceptibility measurements. Five of the complexes were resolved using (+)-cis-dichlorobis(ethylenediamine)cobalt(III) chloride, (+)-bis(glycinato)(1,10-phenanthroline)cobalt(III) chloride, and (+)-tris(1,10-phenanthroline)nickel(II) chloride as resolving agents. The antimicrobial and cytotoxic activities of these complexes were then determined. The results obtained indicated that aspartic acid and glycine coordinated in a bidentate fashion. The enantiomeric purity of the compounds was in the range of 22.10-32.10%, with (+)-cis-dichlorobis(ethylenediamine)cobalt(III) complex as the more efficient resolving agent. The resolved complexes exhibited better activity in some cases compared to the parent complexes for both biological activities. It was therefore inferred that although the increase in the lipophilicity of the complexes may assist in the permeability of the complexes through the cell membrane of the pathogens, the enantiomeric purity of the complexes is also of importance in their activity as antimicrobial and cytotoxic agents.

  6. XPS-Characterization of Heterometallic Coordination Compounds with Optically Active Ligands

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    Yenny Ávila-Torres

    2013-01-01

    Full Text Available The heterometallic optical complexes [Cu2Co(S,S(+cpse3(H2O3]·4H2O (1 and [Cu2Ni(S,S(+cpse3(H2O3]·10H2O (2 were obtained from the mononuclear copper(II compound by the addition of nickel(II or cobalt(II chlorides, where (H2cpse is the acetyl amino alcohol derivative N-[2-hydroxy-1(R-methyl-2(R-phenylethyl]-N-methylglycine. In comparison with the homotrinuclear copper(II compound [Cu3(S,S(+cpse3(H2O3]·8H2O reported previously, the substitution of a copper(II atom by one cobalt(II ion gave place to a heterotrinuclear compound 1, which presents ferromagnetic-antiferromagnetic behaviour. When substituting a copper(II by a nickel(II ion, the trinuclear compound 2 showed an antiferromagnetic coupling. The magnetic behaviour of the heterotrinuclear compounds is driven by the nature of the metal ion which was introduced in the copper(II triangular array. The ligand and its coordination compounds were characterized by IR, UV-Vis-NIR. Their chemical was confirmed by photoelectron spectroscopy (XPS.

  7. Synthesis and Characterization of Coordination Compounds of Silver(I Nitrite with Ligands Ethylenethiourea and N,N'-diethylthiourea

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    Fariati

    2016-09-01

    Full Text Available Silver(I nitrate and ethylenethiourea (etu in 1 : 4 stochiometry have been reported [1]. Coordination compounds of A and B as silver(I nitrite with etu and silver(I nitrite with N,N’-diethylthiourea (detu respectively, have never been done. The purposes of this study are to synthesize and characterize coordination compounds of A and B. Synthesis coordination compound of A with 1 : 4, while B with 1 : 2 stoichiometry. Both of coordination compounds are conducted directly in acetonitrile. Compounds obtained are characterized by melting point, electrical conductivity measurement, SEM-EDX, qualitative nitrite test, free energy calculation and structures prediction using Spartan’14 v1.1.0. Coordination compounds of A and B are colourless needle and prism crystals; have melting point of 189°C and 103-105°C; free energy of -289,2567 and -1182.8101 kJ/mol respectively. Electrical conductivity measurement and qualitative nitrite test show that the obtained compound of A is an ionic and B is a molecular one. EDX analysis gives empirical formula prediction of two coordination compound A is C12H24AgN9O2S4 and B is C15H36AgN7O2S3.

  8. Leveraging syntax to better capture the semantics of elliptical coordinated compound noun phrases.

    Science.gov (United States)

    Blake, Catherine; Rindflesch, Tom

    2017-08-01

    Full-text scientific articles are increasingly available, but capturing the meaning conveyed within an article automatically remains a bottleneck for semantic search and reasoning systems. In this paper we consider elliptical coordinated compound noun phrases that authors use to save space in an article. Systems that do not attend to coordination would incorrectly interpret "breast or lung cancer" as a body part (breast) and a disease (lung cancer) rather than two diseases. The algorithmic approach introduced in this paper uses a generate-and-test strategy where candidate expansions for forward, backward and complex ellipses are generated from syntactic dependencies. Dependencies are also used to create a dictionary of non-coordinated noun phrases that is used during the test phrase. Experiments on 21,280 full-text articles show that more than a million noun phrases were impacted by coordinated ellipses. The system achieves 73.07% precision, 75.38% recall, 74.23% F-score and 94.72% accuracy for new noun phrases in the development set. The precision was higher for backward (82.62 vs. 78.63) and forward expansions (64.82 vs. 60.17) and lower for complex expansions (63.41 vs. 72.59) in a test set. On average 10.79% of all noun phrases would be missed if coordination were not resolved, which corresponds to 48 new noun phrases per article in the journal Carcinogenesis, 52 new phrases per article in Diabetes, and 56 new phrases per article in Endocrinology. Results also show coordinated ellipses are more prevalent in abstracts (12.31% of all noun phrases) than in the body of an article (10.70%). To further test the generalizability of this approach the system (without modification) was used on two new collections. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Stereochemistry of coordination compounds. From alfred werner to the 21st century.

    Science.gov (United States)

    von Zelewsky, Alex

    2014-01-01

    As a contribution to the scientific symposium, November 22nd, 2013, commemorating the Nobel Prize awarded to Alfred Werner in 1913, a presentation of the development of stereochemistry of coordination compounds during the past 120 years was given. Stereochemistry was fundamental to Werner's theory of coordination compounds. After Werner's death in 1919, stereochemistry in this field did not progress much further for almost 20 years, but then developed continuously. It was realized that stereochemical features of elements showing coordination numbers larger than four are responsible for an almost unlimited number of stereochemical possibilities, thus opening a molecular world of new structures. In the beginning of the 21st century, interest in the field rose again considerably, mainly due to the potential of stereoselective catalysis, and the self-assembly of supramolecular structures. An end of these developments is not in sight. Here an abbreviated version of the lecture is given. A PowerPoint(®) file, or a video of the presentation, can be downloaded.

  10. Synthesis and crystal structure of the coordination compound of pyridoxine with manganese sulfate

    Science.gov (United States)

    Furmanova, N. G.; Verin, I. A.; Shyityeva, N.; Sulaimankulov, K. S.; Berdalieva, Zh.; Resnyanskii, V. F.; Duishenbaeva, A. T.

    2011-11-01

    The reaction of pyridoxine with manganese sulfate in an aqueous solution gave the coordination compound MnSO4 · 2C8H11O3N · 2H2O ( I). The structure of I was determined from single-crystal X-ray diffraction data. In the centrosymmetric complex (sp. gr. Pbar 1, Z = 1), the Mn atom is coordinated by two pyridoxine molecules and two water molecules, thus adopting an octahedral coordination. The sulfate anion is also at a center of symmetry and, consequently, is disordered. The pyridoxine molecules are coordinated to the metal atom through the oxygen atoms of the deprotonated hydroxyl group and the CH2OH group that retains the hydrogen atom. The nitrogen atom is protonated in such a way that the heterocycle assumes a pyridinium character. The crystal structure also contains six water molecules of crystallization. A thermogravimetric study showed that the decomposition of I occurs in several successive steps, such as dehydration, the combustion of organic ligands, and the formation of an inorganic residue.

  11. Three coordination compounds based on benzene tetracarboxylate ligand: syntheses, structures, thermal behaviors and luminescence properties

    Indian Academy of Sciences (India)

    YUNLONG WU; CHANGKUN XIA; JUN QIAN; JIMIN XIE

    2017-08-01

    Using 1,2,3,5-benzenetetracarboxylic acid and different pyridyl ligands, three metalorganic coordination compounds, [Co(H ₃btec)(1,10-phen)(H ₂O) ₃][OH]·2H ₂O (1), [Co ₂ (btec)(2,2’-bipy) ₂-(H ₂O)]·H ₂O (2), {[Co ₁.₅ (H ₂btec)(4,4’-bipy)(H ₂O) ₂][Co ₀.₅ (4,4’-bipy)- (H ₂O) ₄][OH] ₂} · 2H ₂O (3), (H ₄btec = 1, 2, 3, 5-benzenetetracarboxylic acid, 1,10-phen = 1,10-phenanthroline, 2,2’-bipy = 2,2_-bipyridine, 4,4’-bipy= 4,4_ -bipyridine) were synthesized by hydrothermal method and characterized by elemental analysis, infrared spectroscopy, and single-crystal X-ray diffraction analysis. X-ray crystallographic studies reveal that 1 is a discrete 0D coordination compound, while 2 and 3 possess similar 2D network structures, which show a sql network with the point symbol of (4,4). Thermal analysis indicates that compounds 1 and 2 begin to collapse after 350◦C. Further, the UV-Vis DRS spectra and solid-state luminescent properties of 1–3 have also been studied.

  12. Titanium coordination compounds: from discrete metal complexes to metal–organic frameworks

    KAUST Repository

    Assi, Hala

    2017-05-24

    Owing to their promise in photocatalysis and optoelectronics, titanium based metal–organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still “unpredictable” reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

  13. Titanium coordination compounds: from discrete metal complexes to metal-organic frameworks.

    Science.gov (United States)

    Assi, Hala; Mouchaham, Georges; Steunou, Nathalie; Devic, Thomas; Serre, Christian

    2017-06-06

    Owing to their promise in photocatalysis and optoelectronics, titanium based metal-organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still "unpredictable" reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

  14. Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.

    Science.gov (United States)

    Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M

    2013-01-07

    Complexes with silver ions have great potential for applications in medicine. Appropriate bidentate ligands, binding to silver ions, are able to generate coordination polymers as well as molecular entities as a function of ligand flexibility, conformation and length. Here we present the continuation of our previous studies in this field with ligands based on oligomers of polyethylene glycol, functionalized at both ends with either nicotinic or isonicotinic acid. The structures of three ligands and nine new coordination compounds are presented. A large variety of structures are obtained as a function of counterion, solvent and ligand-to-metal ratio, such as isolated rings, offset stacked rings, parallel chains and entangled chains, and their antimicrobial properties as well as biocompatibility are assessed.

  15. Syntheses, magnetic and spectral studies on polystyrene supported coordination compounds of bidentate and tetradentate Schiff bases

    Indian Academy of Sciences (India)

    D Kumar; P K Gupta; A Syamal

    2005-05-01

    The reaction of aminomethylated polystyrene (PSCH2-NH2) and 2-hydroxyacetanilide in DMF results in the formation of polystyrene-anchored monobasic bidentate Schiff base, PSCH2-LH (I). On the other hand, the reaction of chloromethylated polystyrene (PSCH2-Cl), 3-formylsalicylic acid, ethylenediamine and acetylacetone in DMF in presence of ethyl acetate (EA) and triethylamine (TEA) produces another polystyrene-anchored dibasic tetradentate Schiff base, PSCH2-L'H2 (II). Both I and II react with a number of di-, tri- and hexavalent metal ions like Co, Ni, Cu, Zn and Cd to form polystyreneanchored coordination compounds, and these have been characterized and discussed.

  16. Normal coordinate analysis and fungicidal activity study on anilazine and its related compound using spectroscopic techniques

    Science.gov (United States)

    Sheeja Mol, Gilbert Pushpam; Arul Dhas, Deva Dhas; Hubert Joe, Isaac; Balachandran, Sreedharan

    2016-06-01

    The FTIR and FT-Raman spectra of anilazine have been recorded in the range 400-4000 cm-1 and 50-3500 cm-1 respectively. The optimized geometrical parameters of the compound were calculated using B3LYP method with 6-311G(d,p) basis set. The distribution of the vibrational bands were carried out with the help of normal coordinate analysis (NCA). The 1H and 13C nuclear spectra have been recorded and chemical shifts of the molecule were also calculated using the gauge independent atomic orbital (GIAO) method. The UV-Visible spectrum of the compound was recorded in the region 190-900 nm and the electronic properties were determined by time-dependent DFT (TD-DFT) approach. Anilazine was screened for its antifungal activity. Molecular docking studies are conducted to predict its fungicidal activity.

  17. Crystal Structure and Characterization of a Novel Neodymium Coordination Compound Based on Dawson Cluster

    Institute of Scientific and Technical Information of China (English)

    王敬平; 魏梅林; 牛景杨

    2004-01-01

    A new coordination compound, [{Nd(NMP)2(H2O)6Cl}{Nd(NMP)2(H2O)7}H (P2Mo18O62) (NMP=N-methyl-2-pyrrolidone) was synthesized and characterized by elemental analyses, IR spectrum, and X-ray single crystal structural analysis. The crystal structure indicates that the title compound belongs to monoclinic space group Cc, with unit cell dimensions a=2.4528(5) nm, b=1.9495(4) nm, c=2.4405(5) nm, β=109.94(3)°, Z=4, V=10.970 (4) nm3, Dc=2.262 g*cm-3, R1=0.0676, wR2=0.1441. The ESR spectrum of powder of the title compound at 110 K after being exposed to sunlight shows the signal of Mo5+, g=1.95. Cyclic voltammetry was measured in aqueous solution containing 0.1 mol*L-1 KCl as the supporting electrolyte and shows that the title compound undergoes two one-electron reversible reductions.

  18. Homogeneous photocatalytic reactions with organometallic and coordination compounds--perspectives for sustainable chemistry.

    Science.gov (United States)

    Hoffmann, Norbert

    2012-02-13

    Since the time of Giacomo Ciamician at the beginning of the 20th century, photochemical transformations have been recognized as contributing to sustainable chemistry. Electronic excitation significantly changes the reactivity of chemical compounds. Thus, the application of activation reagents is frequently avoided and transformations can be performed under mild conditions. Catalysis plays a central role in sustainable chemistry. Stoichiometric amounts of activation reagents are often avoided. This fact and the milder catalytic reaction conditions diminish the formation of byproducts. In the case of homogeneous catalysis, organometallic compounds are often applied. The combination of both techniques develops synergistic effects in the sense of "Green Chemistry". Herein, metal carbonyl-mediated reactions are reported. These transformations are of considerable interest for the synthesis of complex polyfunctionalized compounds. Copper(I)-catalyzed [2+2] photocycloaddition gives access to a large variety of cyclobutane derivatives. Currently, a large number of publications deal with photochemical electron-transfer-induced reactions with organometallic and coordination compounds, particularly with ruthenium complexes. Several photochemically induced oxidations can easily be performed with air or molecular oxygen when they are catalyzed with organometallic complexes. Photochemical reaction conditions also play a certain role in C-H activation with organometallic catalysts, for instance, with alkanes, although such transformations are conveniently performed with a variety of other photochemical reactions.

  19. Cobalt(II Coordination Compounds of Ethyl 4-Methyl-5-Imidazolecarboxylate: Chemical and Biochemical Characterization on Photosynthesis and Seed Germination

    Directory of Open Access Journals (Sweden)

    Beatriz King-Díaz

    2005-01-01

    chloroplasts. Seed germination and seedling growth of the monocotyledonous species Lolium multiflorum and Triticum aestivum and the dicotyledonous species Trifolium alexandrinum and Physalis ixocarpa were also assayed under the effect of the compounds and salts. The results showed that cobalt(II salts and their emizco coordination compounds inhibit photosynthetic electron flow and ATP-synthesis, behaving as Hill reaction inhibitors. Coordination compounds are more potent inhibitors than the salts. It was found that the salts target is at the b6f level while the complexes targets are at QB(D1-protein and b6f level. The QB inhibition site was confirmed by variable chlorophyll a fluorescence yield. On the other hand, emizco inhibits seed germination, root and shoot development, in both weed and crop species. Cobalt(II coordination compounds are the most effective photosynthesis inhibitors, but they are less potent than emizco in germination and seedling growth, while the metal salts are the least active of all.

  20. Transition-Metal Planar Boron Clusters: a New Class of Aromatic Compounds with High Coordination

    Science.gov (United States)

    Wang, Lai-Sheng

    2012-06-01

    Photoelectron spectroscopy in combination with computational studies over the past decade has shown that boron clusters possess planar or quasi-planar structures, in contrast to that of bulk boron, which is dominated by three-dimensional cage-like building blocks. All planar or quasi-planar boron clusters are observed to consist of a monocyclic circumference with one or more interior atoms. The propensity for planarity has been found to be due to both σ and π electron delocalization throughout the molecular plane, giving rise to concepts of σ and π double aromaticity. We have found further that the central boron atoms can be substituted by transition metal atoms to form a new class of aromatic compounds, which consist of a central metal atom and a monocyclic boron ring (M B_n). Eight-, nine-, and ten-membered rings of boron have been observed, giving rise to octa-, ennea-, and deca-coordinated aromatic transition metal compounds [1-3]. References: [1] ``Aromatic Metal-Centered Monocyclic Boron Rings: Co B_9^- and Ru B_9^-" (Constantin Romanescu, Timur R. Galeev, Wei-Li Li, A. I. Boldyrev, and L. S. Wang), Angew. Chem. Int. Ed. {50}, 9334-9337 (2011). [2] ``Transition-Metal-Centered Nine-Membered Boron Rings: M B_9 and M B_9^- (M = Rh, Ir)" (Wei-Li Li, Constantin Romanescu, Timur R. Galeev, Zachary Piazza, A. I. Boldyrev, and L. S. Wang), J. Am. Chem. Soc. {134}, 165-168 (2012). [3] ``Observation of the Highest Coordination Number in Planar Species: Decacoordinated Ta B10^- and Nb B_9^- Anions" (Timur R. Galeev, Constantin Romanescu, Wei-Li Li, L. S. Wang, and A. I. Boldyrev), Angew. Chem. Int. Ed. {51}, 2101-2105 (2012).

  1. Mode transition coordinated control for a compound power-split hybrid car

    Science.gov (United States)

    Wang, Chen; Zhao, Zhiguo; Zhang, Tong; Li, Mengna

    2017-03-01

    With a compound power-split transmission directly connected to the engine in hybrid cars, dramatic fluctuations in engine output torque result in noticeable jerks when the car is in mode transition from electric drive mode to hybrid drive mode. This study designed a mode transition coordinated control strategy, and verified that strategy's effectiveness with both simulations and experiments. Firstly, the mode transition process was analyzed, and ride comfort issues during the mode transition process were demonstrated. Secondly, engine ripple torque was modeled using the measured cylinder pumping pressure when the engine was not in operation. The complete dynamic plant model of the power-split hybrid car was deduced, and its effectiveness was validated by a comparison of experimental and simulation results. Thirdly, a coordinated control strategy was designed to determine the desired engine torque, motor torque, and the moment of fuel injection. Active damping control with two degrees of freedom, based on reference output shaft speed estimation, was designed to mitigate driveline speed oscillations. Carrier torque estimation based on transmission kinematics and dynamics was used to suppress torque disturbance during engine cranking. The simulation and experimental results indicate that the proposed strategy effectively suppressed vehicle jerks and improved ride comfort during mode transition.

  2. Coordination compounds as precursors for laser deposition of nickel-based conducting films

    Science.gov (United States)

    Devillers, M.; Dupuis, O.; Janosi, A.; Soumillion, J. P.

    1994-09-01

    Coordination compounds of nickel(II) are used as precursors for the formation of nickel and nickel oxide deposits on alumina substrates by direct laser writing using an argon ion laser. The starting resins are made of aqueous, methanolic or N,N-dimethylformamide (dmf) solutions of nickel(II) acetate, formate or acetylacetonate in the presence of a polymeric cellulose-based additive which controls the spin-coating step of the substrate. Infrared, UV-visible and NMR spectroscopic studies are carried out on the acetate solutions and resins to understand the interactions occurring between the various components. Arguments supporting the replacement of water molecules in tetrahydrated nickel(II) acetate by the organic solvent are described. The nature of the obtained deposits is determined by X-ray photoelectron spectroscopy. Whereas resins based on acetate or acetylacetonate compounds in dmf and methanol are shown to generate nickel oxide films, aqueous resins based on nickel(II) formate are found to be very promising in view of obtaining conductive deposits of nickel metal. The role of the cellulosic additive is clearly restricted to the viscosity modulation.

  3. Thermolysis preparation of ZnS nanoparticles from a nano-structure bithiazole zinc(II) coordination compound

    Science.gov (United States)

    Hosseinian, Akram; Rahimipour, Hamid Reza; Haddadi, Hedayat; Ashkarran, Ali Akbar; Mahjoub, Ali Reza

    2014-09-01

    Nano-scale and single crystals of a new tris-chelate Zn(II) compound, {[Zn(DADMBTZ)3](SCN)2ṡ4H2O}n, (1), {DADMBTZ = 2,2‧-diamino-5,5‧-dimethyl-4,4‧-bithiazole} have been synthesized by the reaction of zinc(II) sulfate, ammonium thiocyanate and DADMBTZ using sonochemical and branched tube methods, respectively. The new nanoparticles were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and FT-IR spectroscopy. Compound (1) was structurally characterized by single crystal X-ray diffraction. Compound (1) form a tris-chelate complex with nearly C3 symmetry. The coordination number of zinc atom in the compound is six with coordinated environments of distorted octahedral, ZnN6. In reaction with DADMBTZ, the ligand DADMBTZ acts as bidentate in compound to form five-membered chelate rings with the same internal angles in coordination polyhedron. The crystal packing is mainly stabilized by N-H- - - -N hydrogen bonding interactions. The thermal stability of compound (1) was studied by thermal gravimetric (TG) and differential thermal analyses (DTA). ZnS nanostructures were obtained by direct thermolyses of compound (1) at 400 °C under argon atmosphere. The ZnS nanoparticles were characterized by scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy.

  4. Binding of a coordinatively unsaturated mercury(II) thiolate compound by carboxylate anions.

    Science.gov (United States)

    Tang, Xiao-Yan; Zheng, Ai-Xia; Shang, Hai; Yuan, Rong-Xin; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping

    2011-01-17

    Reactions of [Hg(Tab)2](PF6)2 (TabH = 4-(trimethylammonio)benzenethiol) (1) with acetic acid (HAc), propanoic acid (HPro), salicylic acid (HSal), benzoic acid (HBez), malonic acid (H2Mal), oxalic acid (H2Oxa), adipic acid (H2Adi), or methylimindiacetic acid (H2Meida) in the presence of Et3N gave rise to a family of mercury(II)-thiolate-carboxylate compounds, [Hg(Tab)2(Ac)](PF6) · 0.5H2O (2 · 0.5H2O), [Hg(Tab)2(Pro)](PF6) (3), [Hg(Tab)2(Sal)](PF6) · MeOH (4 · MeOH), [Hg(Tab)2(Sal)](Sal) · MeOH (5 · MeOH), [Hg(Tab)2(Bez)](PF6) · H2O (6 · H2O), [Hg(Tab)2(HMal)](Mal)0.5 H2O (7 · H2O), [{Hg(Tab)2}2(μ-Oxa)](PF6)2 H2O (8·2H2O), [{Hg(Tab)2}2(μ-Adi)](PF6)2 (9), [Hg(μ-Tab)(μ-Adi)]2n (10), and [Hg(Tab)2(Meida)] · 2.5H2O (11 · 2.5H2O). These compounds were characterized by elemental analysis, IR spectra, UV-vis spectra, (1)H NMR, and single-crystal X-ray crystallography. Each mercury(II) atom in [Hg(Tab)2](2+) dication of 2-7 is further coordinated by two oxygen atoms from one Ac(-), Pro(-), Sal(-), Bez(-), Mal(2-) or HMal(-) anion, forming a unique seesaw-shaped coordination geometry. In 8 or 9, two [Hg(Tab)2](2+) dications are connected by one bridging oxalate or adipate dianion to generate a dimeric structure with each mercury(II) center adopting a seesaw-shaped geometry. In 10, a pair of octahedrally coordinated mercury(II) atoms are bridged by two sulfur atoms of two Tab ligands to form a [Hg(μ-Tab)2Hg](4+) fragment, which is further connected to its equivalent ones via four adipate dianions, thereby forming a rare two-dimensional network. In 11, the mercury(II) atom in the [Hg(Tab)2](2+) dication is coordinated by one nitrogen and two oxygen atoms from one Meida(2-) dianion to have a rare square pyramidal geometry. The formation of 2-11 from 1 may be applicable to mimicking the interactions of the mercury(II) sites of Hg-MerR and Hg-MT with various amino acids encountered in nature.

  5. A comparison between “second-sphere effects” in the excited state properties of coordination compounds and nonmolecular solids

    NARCIS (Netherlands)

    Blasse, G.; Sabbatini, N.

    1987-01-01

    In this paper we compare second-sphere effects as known from the field of photochemistry and photophysics of coordination compounds with similar phenomena in nonmolecular solids. Literature data, as well as new results, especially on cryptates, are used. The similarity between these phenomena in bot

  6. A survey of the information on co-ordination compound features which can be gained from electroanalytical methods.

    Science.gov (United States)

    Bontempelli, G; Andreuzzi-Sedea, M; Fiorani, M

    1982-12-01

    The information provided by modern electroanalytical techniques on co-ordination compounds is surveyed. The problem of the interaction between the electrode and intermediates or products is also briefly considered; it is pointed out that the electroanalytical approach can be successfully employed to provide new insight into chemical properties of metal complexes only when weakly interacting species are involved. The information obtainable is considered under the following headings: (i) mechanistic studies on metal complexes and electroanalytical evidence for their reactivity and stability; (ii) structural features of co-ordination compounds in solution; (iii) feasibility of electrochemical syntheses; and (iv) stability of intermediate oxidation states with reference to the nature of the ligands co-ordinated to the metal.

  7. Correlation between the structure and biological activity studies of supramolecular coordination azodye compounds

    Directory of Open Access Journals (Sweden)

    M.I. Abou-Dobara

    2017-02-01

    Full Text Available A series of novel bidentate azodye quinoline ligands were synthesized with various p-aromatic amines like p-(OCH3, CH3, H, Cl and NO2. Novel azodye (HLn and complexes [Cu(II/Ni(II] of these ligands have been characterized on the basis of elemental analysis, molar conductance and magnetic measurements, infrared and electronic spectral studies. Suitable structures have been proposed for these complexes. The synthesized ligands and their metal complexes were screened for their antimicrobial activity against four local bacterial species, two Gram positive bacteria (Bacillus cereus and Staphylococcus aureus and two Gram negative bacteria (Escherichia coli and Klebsiella pneumoniae as well as against four local fungal species; namely Aspergillus niger, Alternaria alternata, Penicillium italicum and Fusarium oxysporium. The tested compounds have good antibacterial activity against B. cereus, E. coli and K. pneumoniae. Very low effect was detected against S. aureus and F. oxysporium. We found that the results of antifungal activity of HLn revealed that the complexes are more toxic than ligands against fungi due to the transition metal involved in the coordination. Also Cu2+ complexes are more active than Ni2+ complexes against B. cereus, E. coli and K. pneumoniae. The size of the clear zone was in the following order p-(OCH3 < CH3 < H < Cl < NO2 as expected from Hammett’s constants σR.

  8. Inhibition of sodium current by taurine magnesium coordination compound prevents cesium chloride-induced arrhythmias.

    Science.gov (United States)

    Yin, Yongqiang; Wen, Ke; Wu, Yanna; Kang, Yi; Lou, Jianshi

    2012-05-01

    The mechanism(s) by which taurine magnesium coordination compound (TMCC) inhibits experimental arrhythmias remains poorly understood. The purpose of this study was to observe the effects of TMCC against cesium chloride-induced arrhythmia in the rabbit heart and find whether the antiarrhythmic activity is related to inhibition of sodium current. Early afterdepolarization was induced by 1.5 mM cesium chloride (1 ml kg(-1)) through intravenous injection. The monophasic action potentials (MAP) and electrocardiograms were simultaneously recorded. The effect of TMCC on functional refractory periods (FRPs) in the left atrium was also observed in vitro. Arrhythmias onset was significantly retarded by TMCC. The number of ventricular premature contractions and incidence of monophasic ventricular tachycardia and polyphasic ventricular tachycardia in 10 min were decreased by TMCC. These effects can be abolished by veratridine (10 μg kg(-1)). MAP duration at 90% repolarization was significantly prolonged by TMCC, which can be prolonged even longer by veratridine (10 μg kg(-1)). In vitro experiments showed that FRPs was prolonged by TMCC which can be cancelled by veratridine (10 μg kg(-1)). TMCC prevents cesium chloride-induced arrhythmias, and inhibition of sodium current, in part, contributes to the antiarrhythmic effect of TMCC.

  9. A two-dimensional coordination compound as a zinc ion selective luminescent probe for biological applications.

    Science.gov (United States)

    Dhara, Koushik; Karan, Santanu; Ratha, Jagnyeswar; Roy, Partha; Chandra, Goutam; Manassero, Mario; Mallik, Biswanath; Banerjee, Pradyot

    2007-09-01

    A 2D coordination compound {[Cu2(HL)(N3)]ClO4}infinity (1; H3L = 2,6-bis(hydroxyethyliminoethyl)-4-methyl phenol) was synthesized and characterized by single-crystal X-ray diffraction to be a polymer in the crystalline state. Each [Cu2(HL)(N3)]+ species is connected to its adjacent unit by a bridging alkoxide oxygen atom of the ligand to form a helical propagation along the crystallographic a axis. The adjacent helical frameworks are connected by a ligand alcoholic oxygen atom along the crystallographic b axis to produce pleated 2D sheets. In solution, 1 dissociates into [Cu2(HL)2(H3L)]2H2O (2); the monomer displays high selectivity for Zn2+ and can be used in HEPES buffer (pH 7.4) as a zinc ion selective luminescent probe for biological application. The system shows a nearly 19-fold Zn2+-selective chelation-enhanced fluorescence response in the working buffer. Application of 2 to cultured living cells (B16F10 mouse melanoma and A375 human melanoma) and rat hippocampal slices was also studied by fluorescence microscopy.

  10. A novel schiff base zinc coordination compound inhibits proliferation and induces apoptosis of human osteosarcoma cells.

    Science.gov (United States)

    Yan, Ming; Pang, Li; Ma, Tan-tan; Zhao, Cheng-liang; Zhang, Nan; Yu, Bing-xin; Xia, Yan

    2015-10-01

    Various kinds of schiff base metal complexes have been proven to induce apoptosis of tumor cells. However, it remains largely unknown whether schiff base zinc complexes induce apoptosis in human cancer cells. Here, we synthesized a novel schiff base zinc coordination compound (SBZCC) and investigated its effects on the growth, proliferation and apoptosis of human osteosarcoma MG-63 cells. A novel SBZCC was synthesized by chemical processes and used to treat MG-63 cells. The cell viability was determined by CCK-8 assay. The cell cycle progression, mitochondrial membrane potential and apoptotic cells were analyzed by flow cytometry. The apoptosis-related proteins levels were determined by immunoblotting. Treatment of MG-63 cells with SBZCC resulted in inhibition of cell proliferation and cell cycle arrest at G1 phase. Moreover, SBZCC significantly reduced the mitochondrial membrane potential and induced apoptosis, accompanied with increased Bax/Bcl-2 and FlasL/Fas expression as well as caspase-3/8/9 cleavage. Our results demonstrated that the synthesized novel SBZCC could inhibit the proliferation and induce apoptosis of MG-63 cells via activating both the mitochondrial and cell death receptor apoptosis pathways, suggesting that SBZCC is a promising agent for the development as anticancer drugs.

  11. Electronic Structures of Square Planar Coordinated Transition Metal Ions in Compounds with Gillespite Structure

    Institute of Scientific and Technical Information of China (English)

    林传易

    1990-01-01

    Electronic structures of square planar coordinated transition metal ions in BaCuSi4O10 and CaCrSi4O10 are investigated using the ligand-field theory(LFT),angular overlap model(AOM) and iterative extended Hueckel molecular orbital theory(IET).The electronic energy levels of the natural mineral dioptase are also investigated,in which the Cu2+ ions occupy the sites of pseudo D4h symmetry,Both LFT and AOM predict that the crystal-field levels of transition metal ions in these compounds follow such an order that E(2B1g)

  12. Three interesting coordination compounds based on metalloligand and alkaline-earth ions: Syntheses, structures, thermal behaviors and magnetic property

    Science.gov (United States)

    Zhou, Qiang; Qian, Jun; Zhang, Chi

    2016-09-01

    Based on metalloligand LCu ([Cu(2,4-pydca)2]2-, 2,4-pydca2- = pyridine-2,4-dicarboxylate) and alkaline-earth ions (Ca2+, Sr2+, and Ba2+), three interesting coordination compounds, [Ca(H2O)7][LCu·H2O]·H2O (1), {Sr[LCu·H2O]·4H2O}n (2), and {Ba[LCu·H2O]·8H2O}n (3), have been synthesized and well-characterized by elemental analysis, infrared spectroscopy, thermogravimetric and single-crystal X-ray diffraction analysis. X-ray crystallographic studies reveal that 1 features a discrete 0D coordination compound, while 2 and 3 exhibit the 2D network and 1D chain structures, respectively. Compound 2 is constructed from {LCu}2 dimers connected with {Sr2} units, which is fabricated by two Sr2+ ions bridged via two μ2-O bridges, while compound 3 is formed by 1D {Ba}n chain linked with metalloligands LCu and exhibits an interesting sandwich like chain structure. It is noted that the coordination numbers of alkaline-earth ions are in positive correlation with their radiuses. Moreover, the magnetic property of compound 2 has been studied.

  13. Solution-reaction Calorimetric Study of Coordination Compounds of Rare Earth Perchlorates with Alanine and Imidazole

    Institute of Scientific and Technical Information of China (English)

    ZHAO, Yan-Ru(赵艳茹); HOU, An-Xin(侯安新); DONG, Jia-Xin(董家新); ZHAO, Shun-Sheng(赵顺省); LIU, Yi(刘义); QU, Song-Sheng(屈松生)

    2004-01-01

    Two coordination compounds of rare earth perchlorates with alanine and imidazole, [RE(Ala)n(Im)(H2O)](ClO4)3(s) (RE=La, n=3; RE=Nd, n=2), have been prepared and characterized. The standard molar enthalpies of reaction for the following two reactions, LaCL·7H2O(s)+3Ala(s)+Im(s)+3NaClO4(s)=[La(Ala).(Im)(H2O)]-(ClO4)3(s)+3NaCl(s)+6H2O(I)(1)and NdCl3·6H2O(s)+2Ala(s)+2Ala(s)+Im(s)+3NaClO4(s)=[Nd(Ala)2(Im)(H2O)]-(ClO4)3(s)+3NaCl(s)+5H2O(l) (2), were determined by solution-reaction calorimetry, at T=298.15 K, as 36.168 ±0.642kJ·mol-1 and 48.590±0.934kJ·mol-1 respectively. From the results and other auxiliary quantities, the standard molar enthalpies of formation of [La(Ala)3(Im)(H2O)](ClO4)3(s) and [Nd(Ala)2(Im)(H2O)] (ClO4)3(s) were derived,△fH(-)m{[La(Ala).(Im)(H2O)](ClO4)3,s}=(-2984.8±1.0)kJ·mol-1 and △fH(-)m{[Nd(Ala).(Im)(H2O)]-(ClO4)3,s}=(-2387.8±0.8)kJ·mol-1, respectively.

  14. 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

  15. 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 anio

  16. Of Chains and Rings: Synthetic Strategies and Theoretical Investigations for Tuning the Structure of Silver Coordination Compounds and Their Applications

    Directory of Open Access Journals (Sweden)

    Tünde Vig Slenters

    2010-05-01

    Full Text Available Varying the polyethyleneglycol spacer between two (iso-nicotinic groups of the ligand systems, a large structural variety of silver coordination compounds was obtained, starting with zero-dimensional ring systems, via one-dimensional chains, helices and double-helices to two-dimensional polycatenanes. Theoretical calculations help to understand their formation and allow predictions in some cases. These structures can be tuned by careful design of the ligand, the use of solvent and the counter ions, influencing also other important properties such as light stability and solubility. The latter is important in the context of biomedical applications, using silver compounds as antimicrobial agents.

  17. Spectroelectrochemical studies of nuclease-active zinc(II) coordination compounds from the ligands Hpyramol and Hpyrimol

    Energy Technology Data Exchange (ETDEWEB)

    Ozalp-Yaman, Seniz, E-mail: seniz@atilim.edu.t [Atilim University, Engineering Faculty, Chemistry Group, 06836 Ankara (Turkey); Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, 2300 RA Leiden (Netherlands); Hoog, Paul de; Maheswari, Palanisamy Uma; Casellas, Helene [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, 2300 RA Leiden (Netherlands); Golobic, Amalija; Kozlevcar, Bojan [University of Ljubljana, Faculty of Chemistry and Chemical Technology, Askerceva 5, P.O. Box 537, 1001 Ljubljana (Slovenia); Gamez, Patrick; Reedijk, Jan [Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, 2300 RA Leiden (Netherlands)

    2010-12-01

    The electrochemical oxidation of four zinc(II) coordination compounds from the ligands 4-methyl-2-(2-pyridylmethyl)aminophenol (Hpyramol) and 4-methyl-2-(2-pyridylmethylene)aminophenol (Hpyrimol) with chloride or acetate as counter-ions has been studied by in situ spectroelectrochemistry in dimethylformamide (DMF). Low-temperature EPR studies of electrolyte solutions of all zinc compounds indicate the presence of a phenoxyl radical with a g-value in the range 2.070-2.099, which is illustrative for an electron delocalization over the metal centre. The final product of this oxidative process is shown to be a benzoquinone methide derivative.

  18. Tellurium rings as electron pair donors in cluster compounds and coordination polymers; Tellurringe als Elektronenpaardonoren in Clusterverbindungen und Koordinationspolymeren

    Energy Technology Data Exchange (ETDEWEB)

    Guenther, Anja

    2011-11-08

    In this dissertation novel and already known molecular tellurium rings are presented in cluster compounds and quasi-one-dimensional coordination polymers. The cyclic, homonuclear units are always stabilized by coordination to electron-rich transition metal atoms, with the coordinating tellurium atoms acting as two-electron donors. As a synthesis route, the solid-state reaction in quartz glass vials was used uniformly. In addition to structural determination, the focus was on the characterization of the resulting compounds. For this purpose, resistance measurements were carried out on selected compounds, the magnetic behavior and the thermal degradation reactions were investigated and accompanying quantum chemical calculations were carried out. [German] In dieser Dissertation werden neuartige sowie bereits bekannte molekulare Tellurringe in Clusterverbindungen und quasi-eindimensionalen Koordinationspolymeren vorgestellt. Die Stabilisierung der zyklischen, homonuklearen Einheiten erfolgt dabei stets durch die Koordination an elektronenreiche Uebergangsmetallatome, wobei die koordinierenden Telluratome gegenueber diesen als Zwei-Elektronendonoren fungieren. Als Syntheseroute wurde dabei einheitlich auf die Festkoerperreaktion in Quarzglasampullen zurueckgegriffen. Neben der Strukturaufklaerung stand die Charakterisierung der erhaltenden Verbindungen im Fokus der Arbeit. Dazu wurden an ausgewaehlten Verbindungen Widerstandsmessungen durchgefuehrt, das magnetische Verhalten sowie die thermischen Abbaureaktionen untersucht und begleitende quantenchemische Rechnungen durchgefuehrt.

  19. Aspects of organochalcogen (S, Se, Te) compounds stabilized by intramolecular coordination

    Indian Academy of Sciences (India)

    G Mugesh; Arunashree Panda; Harkesh B Singh

    2000-06-01

    The application of intramolecular coordination in the isolation of novel diaryl diselenides and their derivatives, monomeric chalcogenolato complexes of group 12 metals, glutathione peroxidase mimics, hybrid bi-, tri- and multidentate ligands and selenium-containing azamacrocycles is described.

  20. Discovery and synthetic applications of novel silicon-carbon bond cleavage reactions based on the coordination number change of organosilicon compounds

    OpenAIRE

    Tamao, Kohei

    2008-01-01

    Some synthetically useful transformations of organosilicon compounds have been developed since the mid 1970s, based on the new concept that the silicon-carbon bonds are activated toward electrophilic cleavage via the formation of penta- and hexa-coordinate species. This review mainly consists of the following aspects: (1) a general concept for the activation of the silicon-carbon bond via penta- and hexa-coordinate species, (2) synthetic application of hexa-coordinate organopentafluorosilicat...

  1. One-dimensional mu-chloromanganese(II)-tetrathiafulvalene (TTF) coordination compound.

    Science.gov (United States)

    Jia, Chunyang; Liu, Shi-Xia; Ambrus, Christina; Neels, Antonia; Labat, Gaël; Decurtins, Silvio

    2006-04-17

    A new tetrathiafulvalene derivative 1 bearing a single pyridine group and its coordination complex 2, with stoichiometry [Mn(mu-Cl)Cl(1)2(CH3OH)]n, have been synthesized and fully characterized. The complex 2 shows an extended chain structure, which is potentially favorable for electrical conductivity. Notably, this is the first monohalogen-bridged Mn(II) polymer exhibiting a moderate antiferromagnetic coupling between the Mn(II) centers.

  2. Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethyl)pyridine as Co-ligand

    OpenAIRE

    Stefan Suckert; Luzia S. Germann; Dinnebier, Robert E; Julia Werner; Christian Näther

    2016-01-01

    Reaction of Co(NCS)2 with 4-(hydroxymethyl)pyridine (hmpy) leads to the formation of six new coordination compounds with the composition [Co(NCS)2(hmpy))4] (1), [Co(NCS)2(hmpy)4] × H2O (1-H2O), [Co(NCS)2(hmpy)2(EtOH)2] (2), [Co(NCS)2(hmpy)2(H2O)2] (3), [Co(NCS)2(hmpy)2]n∙4 H2O (4) and [Co(NCS)2(hmpy)2]n (5). They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete comple...

  3. Synthesis, Structural, and Antimicrobial Studies of Some New Coordination Compounds of Palladium(II with Azomethines Derived from Amino Acids

    Directory of Open Access Journals (Sweden)

    Monika Gupta

    2013-01-01

    Full Text Available Some new coordination compounds of palladium(II have been synthesized by the reaction of palladium(II acetate with azomethines in a 1 : 2 molar ratio using acetonitrile as a reaction medium. Azomethines used in these studies have been prepared by the condensation of 2-acetyl fluorene and 4-acetyl biphenyl with glycine, alanine, valine, and leucine in methanol. An attempt has been made to probe their bonding and structures on the basis of elemental analyses and IR, 1H, and 13C NMR spectral studies. Pd(II compounds have been found to be more active than their uncomplexed ligands as both of them were screened for antibacterial, antifungal, and insecticidal activities.

  4. Structurally defined allyl compounds of main group metals: coordination and reactivity.

    Science.gov (United States)

    Lichtenberg, Crispin; Okuda, Jun

    2013-05-10

    Organometallic allyl compounds are important as allylation reagents in organic synthesis, as polymerization catalysts, and as volatile metal precursors in material science. Whereas the allyl chemistry of synthetically relevant transition metals such as palladium and of the lanthanoids is well-established, that of main group metals has been lagging behind. Recent progress on allyl complexes of Groups 1, 2, and 12-16 now provides a more complete picture. This is based on a fundamental understanding of metal-allyl bonding interactions in solution and in the solid state. Furthermore, reactivity trends have been rationalized and new types of allyl-specific reactivity patterns have been uncovered. Key features include 1) the exploitation of the different types of metal-allyl bonding (highly ionic to predominantly covalent), 2) the use of synergistic effects in heterobimetallic compounds, and 3) the adjustment of Lewis acidity by variation of the charge of allyl compounds.

  5. A new vibrational study of Acetazolamide compound based on normal coordinate analysis and DFT calculations

    Science.gov (United States)

    Brandán, S. A.; Eroğlu, E.; Ledesma, A. E.; Oltulu, O.; Yalçınkaya, O. B.

    2011-05-01

    We have studied the 5-acetamido-1,3,4-thiadiazole-2-sulphonamide compound and characterized it by infrared and Raman spectroscopy in the solid phase. The Density Functional Theory (DFT) method together with Pople's basis set show that two stable molecules for the compound have been theoretically determined in the gas phase, and that only the more stable conformation is present in the solid phase, as was experimentally observed. The harmonic vibrational wavenumbers for the optimized geometry were calculated at B3LYP/6-31G ∗ and B3LYP/6-311++G ∗∗ levels at the proximity of the isolated molecule. For a complete assignment of the vibrational spectra in the compound solid, DFT calculations were combined with Pulaýs Scaled Quantum Mechanics Force Field (SQMFF) methodology in order to fit the theoretical wavenumber values to the experimental ones. In this way, a complete assignment of all of the observed bands in the infrared spectrum for the compound was performed. The natural bond orbital (NBO) study reveals the characteristics of the electronic delocalization of the two structures, while the corresponding topological properties of electronic charge density are analysed by employing Bader's Atoms in the Molecules theory (AIM).

  6. Synthesis, Crystal Structure and Antitumor Activity of Mixed Ligand Coordination Compound of Copper with Norfloxacin and 1, 10-Phen, [Cu (NFLX)(phen)(H2O)] NO3 ·3H2O

    Institute of Scientific and Technical Information of China (English)

    Guo Ping WANG; Li Cheng YAN; Long Guan ZHU

    2003-01-01

    The mixed ligand coordination compound of copper with norfloxacin (NFLX) and 1, 10-phen has been synthesized and characterized by means of X-ray single crystal diffraction. The structure features of the coordination compound are described. Antibacterial activities of the coordination compound have been tested against different microorganisms. The antitumor activities of the coordination compound on leukemia HL-60 cell line and liver cancer BEL-7402 cell line have been measured, respectively. The results indicated that the coordination compound has strong inhibitory effect on HL-60 and BEL-7402 cell lines.

  7. Theoretical Study of Pd11 Si6 Nanosheet Compounds Including Seven-Coordinated Si Species and Its Ge Analogues.

    Science.gov (United States)

    Chen, Yue; Sunada, Yusuke; Nagashima, Hideo; Sakaki, Shigeyoshi

    2016-01-18

    Nanosheet compounds Pd11 (SiiPr)2 (SiiPr2 )4 (CNtBu)10 (1) and Pd11 (SiiPr)2 (SiiPr2 )4 (CNMes)10 (2), containing two Pd7 (SiiPr)(SiiPr2 )2 (CNR)4 plates (R=tBu or Mes) connected with three common Pd atoms, were investigated with DFT method. All Pd atoms are somewhat positively charged and the electron density is accumulated between the Pd and Si atoms, indicating that a charge transfer (CT) occurs from the Pd to the Si atoms of the SiMe2 and SiMe groups. Negative regions of the Laplacian of the electron density were found between the Pd and Si atoms. A model of a seven-coordinated Si species, that is, Pd5 (Pd-SiMe), is predicted to be a stable pentagonal bipyramidal molecule. Five Pd atoms in the equatorial plane form bonding overlaps with two 3p orbitals of the Si atom. This is a new type of hypervalency. The Ge analogues have geometry and an electronic structure similar to those of the Si compounds. But their formation energies are smaller than those of the Si analogues. The use of the element Si is crucial to synthesize these nanoplate compounds.

  8. New Coordinative Compounds with 4-(4’-pyridylpyridinium Disubstituted Monoylides

    Directory of Open Access Journals (Sweden)

    Rodica Postolachi

    2015-12-01

    Full Text Available The complexes with manganese(II, iron(II, cobalt(II, nickel(II and copper(II of 2-(4, 4’-bipyridin-1-ium-1-yl-1-(4-bromophenylamino-3-(4-methoxyphenyl-3-oxo-1-thioxopropan-2-ide (ylide, Y were synthesized and characterized. The obtained compounds with 1 : 2 metal/ligand ratios have been characterized by FTIR, UV Vis spectroscopy, ESI MS spectrometry, molecular conductance, magnetic measurements and thermal analysis. The ylide ligand forms chelates with metallic (II ions through their amide nitrogen and oxygen atoms.

  9. Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhu

    2017-03-01

    Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

  10. The growth, spectral and thermal properties of the coordination compound crystal-strontium malate

    Energy Technology Data Exchange (ETDEWEB)

    Jini, T.; Saban, K.V.; Varghese, G. [Department of Physics, St. Berchmans College, Changanassery, Kerala 686 101 (India)

    2006-03-15

    Growth of single crystals of the title compound Sr(C{sub 4}H{sub 4}O{sub 5}).3H{sub 2}O is achieved using the gel diffusion technique. Multifaceted single crystals of size up to 4x3x3 mm{sup 3}are obtained. X-Ray Diffraction (XRD) pattern of the grown crystal and the Fourier Transform Infra-Red (FTIR) spectrum in the range 400-4000 cm {sup -1}are recorded. The vibrational bands corresponding to different functional groups are assigned. Thermal behavior of the material is investigated using Thermo Gravimetry (TG) and Differential Thermal Analysis (DTA). Thermal studies are indicative of a five-stage decomposition scheme. copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim. (orig.)

  11. Synthesis, crystal structures and fluorescence properties of four mixed-ligands Zn(Ⅱ) and Cd(Ⅱ) coordination compounds

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Four new coordination compounds, [Zn(dba)(bpy)]n (1), {[Zn(dba)(phen)]·2H2O}n (2), [Cd(dba)(bpy)(H2O)2] (3) and [Cd2(dba)2(phen)2]n (4) (H2dba = 2,5-dihydroxy-p-benzenediacetic acid, bpy = 2,2′-bipyridine, phen = 1,10-phenanthroline) have been prepared via solvothermal method and characterized by sin-gle-crystal X-ray diffraction, infrared spectroscopy, elemental analysis and powder X-ray diffraction. 1 and 2 possess 1D infinite chain structures. Complex 3 exhibits a mononuclear structure. Complex 4 owns binuclear symmetry units, which were bridged via the dba ligands forming a 2D framework. The fluorescence properties of 1―4 have been studied.

  12. Stability of coordination compounds of Ni2+ and Co2+ ions with succinic acid anion in water-ethanol solvents

    Science.gov (United States)

    Tukumova, N. V.; Dieu Thuan, Tran Thi; Usacheva, T. R.; Koryshev, N. E.; Sharnin, V. A.

    2017-04-01

    Stability constants of the coordination compounds of nickel(II) and cobalt(II) ions with succinic acid anion in water-ethanol solvents are determined via potentiometric titration at ionic strength of 0.1 and at T = 298.15 K. It is found that logβ values of monoligand complexes of these ions and succinic acid anions rise along with the content of ethanol in solution ( X EtOH = 0-0.7 mole fractions). Based on an analysis of the thermodynamic characteristics of the solvation of the reagents involved in complex formation, it is found that the increased stability of succinate complexes of nickel(II) and cobalt(II) ions in water-ethanol solvents is mainly determined by the weakening of the solvation of succinic acid anion (Y2-).

  13. Synthesis, crystal structure and spectral characterization of the first Ag+ complex compounds involving O,N,O-coordinated N-acylhydrazones of salicylaldehyde

    Science.gov (United States)

    Repich, H. H.; Orysyk, S. I.; Orysyk, V. V.; Zborovskii, Yu. L.; Pekhnyo, V. I.; Vovk, M. V.

    2017-09-01

    N-acylhydrazones of salicylaldehyde is a well known class of ligands bearing O,N,O tridentate chelate coordination site. But up to now no structurally characterized Ag+ complexes with O,N,O coordinated N-acylhydrazones of salicylaldehyde were known. Therefore three Ag+ coordination compounds with functionally substituted N-acylhydrazones of salicylaldehyde were synthesized and characterized by X-ray diffraction, IR spectroscopy and thermogravimetric studies. In solutions the complexes were studied by 1H NMR and UV-Vis spectroscopy. The influence of the presence and location of additional nitrogen donor atoms in N-acylhydrazones of salicylaldehyde on their coordination modes was investigated. Ligand N'-salicylidenephenylacetohydrazide (contains no additional donor atoms) coordinates to Ag+ in classical O,N,O tridentate chelate manner. Ligand N‧-salicylidene-3-pyridinecarbohydrazide (contains β-N additional donor atom in acyl moiety) involves mixed O,N,O + β-N coordination. Whereas N'-salicylidene-4-pyridinecarbohydrazide (contains γ-N additional donor atom) coordinates to Ag+ in monodentate manner only via γ-N atom of heterocyclic substituent. All the complexes provide high coordination numbers of Ag+ and irregular shapes of coordination polyhedra which are not consistent with classical concepts of Ag+ coordination chemistry. However all the complexes are not thermally stable and easily undergo solvolysis upon dissolution.

  14. Silver Cation Coordination Study to AsW9 Ligand – A Trilacunar Arsenotungstate Compound

    Directory of Open Access Journals (Sweden)

    Berta Lavinia

    2017-06-01

    Full Text Available Objective: The main objective of this research is to find the coordination ratio between AsW9 and Ag+, as a preliminary study for synthesizing a new silver-arsenotungstate complex. Material and method: The ligand:cation molar ratio in complexes was determined by conductometric and potentiometric titrations of AsW9 with silver salts: CH3COOAg, AgNO3. Results: The ratio was obtained from the inflexion points of the curves when molar ratio was plotted versus conductivity, or from the equivalence point when silver added volume was plotted versus pH value. Each graphic shows one point of inflexion corresponding to 1:1.54 ratio of AsW9:Ag+. In the same manner, the equivalent volumes determined by graphical method gave the ratio 1:1.53. The spectral results confirmed that a AsW9:Ag+ complex was formed since the ligand absorption maxima values have been changed from 190 nm to 197 nm in the case of using AgNO3 and 196 nm for CH3COOAg corresponding to the W=Od bond, and from 246.5 nm to 274 nm (AgNO3 and 270 nm (CH3COO-Ag+ for the W-Ob,c-W bond. Conclusions: Silver cation exhibit a preference for AsW9 in a ratio of 3 to 2. This ratio can be associated to a sandwich type arrangement, with two trilacunary Keggin building blocks incorporating 3 metal cations in a tetrahedral geometry.

  15. A Copper Coordination Compound Produced by a Marine Fungus Fusarium sp. ZZF51 with Biosorption of Cu(Ⅱ) Ions

    Institute of Scientific and Technical Information of China (English)

    TAN Ni; PAN Jia-Hui; PENG Guang-Tian; MOU Cheng-Bo; TAO Yi-Wen; SHE Zhi-Gang; YANG Ze-Liang; ZHOU Shi-Ning; LIN Yong-Cheng

    2008-01-01

    A copper coordination compound ZZF51 (A) named bis(5-butyl-2-pyridinecarboxylato-N1,O2)-copper, the first time found in the nature, was isolated from a marine endophytic fungus Fusarium sp. ZZF51 from the South China Sea coast. Its structure was elucidated using spectroscopic methods and single crystal X-ray diffraction analysis.The antimicrobial cytotoxicity experiments exhibited that ZZF51(A) had mutagenicity activities against four aerobic reference strains Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Salmonella enteritidis with respective MIC values of 12.5, 25, 12.5, and 50 μg/mL. The anti-cancer tests showed that the compound had strong inhibitory activities against three human cancer lines KB, KBv200, and HepG2 with IC50 values of 3.54, 3.68 and 25.12 μg/mL respectively. In the course of investigating the source of ZZF51(A) in biomass, it was found that the output of ZZF51(A) was largely influenced by the amount of CuCl2 in the liquid medium, and the fungus (No.ZZF51) had two notable characteristics: endurance of high concentration Cu(Ⅱ) ions and biosorption of Cu(Ⅱ) ions.

  16. Coordination chemistry of microbial iron transport compounds. IX. Stability constants for catechol models of enterobactin

    Energy Technology Data Exchange (ETDEWEB)

    Avdeef, A.; Sofen, S.R.; Bregante, T.L.; Raymond, K.N.

    1978-08-16

    The stability constants of ferric complexes with several substituted catechol (1,2-dihydroxybenzene) ligands in aqueous solutions of low ionic strength have been determined at 27/sup 0/C in the pH range 2 to 11. Enterobactin, the principal siderophore of enteric bacteria, is a tricatechol and, from the formation constants reported here, is estimated to have a formation constant with ferric ion which is greater than 10/sup 45/. The stepwise formation constants, K/sub n/, of the catechol ligands reported here are defined as (ML/sub n/)/(ML/sub n-1/)(L), in units of L mol/sup -1/, where (L) is the concentration of the deprotonated catechol ligand. The constants were determined from potentiometric and spectroscopic data and were refined on pH values by weighted least squares. Qualitative examination of electron spin resonance spectra of the systems indicated some oxidation of the ligand by ferric ions at pH values as high as 4. The ligands studied included catechol (cat) (log K/sub 1/ = 20.01, log K/sub 2/ = 14.69, log K/sub 3/ = 9.01); 4,5-dihydroxy-m-benzenedisulfonate (Tiron) (log K/sub 2/ = 15.12, log K/sub 3/ = 10.10); 4-nitrocatechol (ncat) (log K/sub 1/ = 17.08, log K/sub 2/ = 13.43, log K/sub 3/ = 9.51); 3,4-dihydroxyphenylacetic acid (dhpa) (log K/sub 1/ = 20.1, log K/sub 2/ = 14.9, log K/sub 3/ = 9.0); and 2,3-dihydroxybenzoic acid (dhba) (log K/sub 1/ = 20.5). The acid dissociation constants, K/sub a/s, were determined also. For the catechol protons these follow: cat (pK/sub a/sub 1// = 9.22, pK/sub a/sub 2// = 13.0); Tiron (pK/sub a/sub 1// = 7.70, pK/sub a/sub 2// = 12.63); ncat (pK/sub a/sub 1// = 6.65, pK/sub a/sub 2// = 10.80); dhpa (pK/sub a/sub 1// = 9.49, pK/sub a/sub 2// = 13.7); and dhba (pK/sub a/sub 1// = 10.06, pK/sub a/sub 2// = 13.1). In addition, carboxylate substituents of dhpa and dhba have pK/sub a/s of 4.17 and 2.70, respectively.In solution, exchange is slow between these two types of coordination following changes in pH. 2 tables, 11

  17. Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing [Key Laboratory of Organic Synthesis of Jiangsu Province, School of Chemistry, Chemical Engineering and Materials Science, Soochow University(DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Key Laboratory of Energy-Saving And Environmental Protection Materials Test and Technical Service Center of Jiangsu Province, Soochow University (DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Xu, Qing-Feng, E-mail: xuqingfeng@suda.edu.cn [Key Laboratory of Organic Synthesis of Jiangsu Province, School of Chemistry, Chemical Engineering and Materials Science, Soochow University(DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Key Laboratory of Energy-Saving And Environmental Protection Materials Test and Technical Service Center of Jiangsu Province, Soochow University (DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Lu, Jian-Mei, E-mail: lujm@suda.edu.cn [Key Laboratory of Organic Synthesis of Jiangsu Province, School of Chemistry, Chemical Engineering and Materials Science, Soochow University(DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Key Laboratory of Energy-Saving And Environmental Protection Materials Test and Technical Service Center of Jiangsu Province, Soochow University (DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Ge, Jian-Feng [Key Laboratory of Organic Synthesis of Jiangsu Province, School of Chemistry, Chemical Engineering and Materials Science, Soochow University(DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China); Key Laboratory of Energy-Saving And Environmental Protection Materials Test and Technical Service Center of Jiangsu Province, Soochow University (DuShuHu Campus), 199 Renai Road, Suzhou, 215123 (China)

    2013-07-15

    Four new coordination compounds, namely, Zn(o-MAABA){sub 2}(Phen) (1), [Cd(o-MAABA){sub 2}·2H{sub 2}O]{sub 2} (2), ([Pb{sub 2}Cl{sub 2}(o-MAABA){sub 2}(Phen){sub 4}])·2H{sub 2}O (3·2H{sub 2}O), [Pb(NO{sub 3})(o-MAABA)(Phen)]{sub n} (4), where o-MAABA=o-methacrylamidobenzoic acid and phen=1, 10-phenanthroline, have been synthesized. All compounds were fully confirmed by FT-IR, elemental analysis and TGA analysis. Their structures were determined by single crystal X-ray diffraction, in which compound 1 shows a mononuclear structure, compounds 2 and 3 have binuclear structures and compound 4 shows an infinite chain. In 2 and 4, the adjacent chains are extended into a 3D supramolecular architecture via π–π interactions. Solid-state room temperature luminescence spectra revealed that emission bands of compound 1 were located at 524 nm (λ{sub ex}=352 nm) and compound 4 at 479 and 584 nm (λ{sub ex}=390 nm) assigned to the excimer formation. The emission at 454 nm (λ{sub ex}=340 nm) of compound 2 was mainly ascribed to the Ligand–Metal Charge Transfer (LMCT). - Graphical abstract: Four coordination compounds constructed by o-methacrylamidobenzoic, phenanthroline and metal ions are reported. The photoluminescent properties is studied, which is affected by the molecular stacking and LMCT.

  18. Controllable formation of heterotrimetallic coordination compounds: systematically incorporating lanthanide and alkali metal ions into the manganese 12-metallacrown-4 framework.

    Science.gov (United States)

    Azar, Michael R; Boron, Thaddeus T; Lutter, Jacob C; Daly, Connor I; Zegalia, Kelcie A; Nimthong, Ruthairat; Ferrence, Gregory M; Zeller, Matthias; Kampf, Jeff W; Pecoraro, Vincent L; Zaleski, Curtis M

    2014-02-01

    The inclusion of Ln(III) ions into the 12-MC-4 framework generates the first heterotrimetallic complexes of this molecular class. The controllable and deliberate preparations of these compounds are demonstrated through 12 crystal structures of the Ln(III)M(I)(OAc)4[12-MCMn(III)(N)shi-4](H2O)4·6DMF complex, where OAc(-) is acetate, shi(3-) is salicylhydroximate, and DMF is N,N-dimethylformamide. Compounds 1-12 have M(I) as Na(I), and Ln(III) can be Pr(III) (1), Nd(III) (2), Sm(III) (3), Eu(III) (4), Gd(III) (5), Tb(III) (6), Dy(III) (7), Ho(III) (8), Er(III) (9), Tm(III) (10), Yb(III) (11), and Y(III) (12). An example with M(I) = K(I) and Ln(III) = Dy(III) is also reported (Dy(III)K(OAc)4[12-MCMn(III)(N)shi-4](DMF)4·DMF (14)). When La(III), Ce(III), or Lu(III) is used as the Ln(III) ions to prepare the Ln(III)Na(I)(OAc)4[12-MCMn(III)(N)shi-4] complex, the compound Na2(OAc)2[12-MCMn(III)(N)shi-4](DMF)6·2DMF·1.60H2O (13) results. For compounds 1-12, the identity of the Ln(III) ion affects the 12-MCMn(III)(N)shi-4 framework as the largest Ln(III), Pr(III), causes an expansion of the 12-MCMn(III)(N)shi-4 framework as demonstrated by the largest metallacrown cavity radius (0.58 Å for 1 to 0.54 Å for 11), and the Pr(III) causes the 12-MCMn(III)(N)shi-4 framework to be the most domed structure as evident in the largest average angle about the axial coordination of the ring Mn(III) ions (103.95° for 1 to 101.69° for 11). For 14, the substitution of K(I) for Na(I) does not significantly affect the 12-MCMn(III)(N)shi-4 framework as many of the structural parameters such as the metallacrown cavity radius (0.56 Å) fall within the range of compounds 1-12. However, the use of the larger K(I) ion does cause the 12-MCMn(III)(N)shi-4 framework to become more planar as evident in a smaller average angle about the axial coordination of the ring Mn(III) ions (101.35°) compared to the analogous Dy(III)/Na(I) (7) complex (102.40°). In addition to broadening the range of

  19. Synthesis and structural characterization of Lindqvist type mixed-metal cluster anion [V2W4O19]4- in discrete and coordination polymer compounds

    Science.gov (United States)

    Yerra, Sridevi; Amanchi, Srinivasa Rao; Das, Samar K.

    2014-03-01

    Two vanadium substituted Lindqvist type tungsten heteropolyanion containing compounds with molecular formulae [HMTAH]2[H2V2W4O19]·4H2O (1) and [Na2(H2O)4]n[H2V2W4O19]n·2nHMTA·2nH2O (2) have been synthesized, where HMTA is hexamethylenetetramine. Compound 1 is a discrete compound, whereas, compound 2 is a coordination polymer. Compounds 1-2 are characterized by routine elemental analyses, FT-IR spectroscopy, electronic absorption spectral analyses, thermogravimetric studies and single crystal X-ray crystallography. The presence of vanadium in the cluster anion is confirmed by 51V NMR spectroscopy, EDS and ICP analyses. The crystal structures of compounds 1 and 2 are refined in orthorhombic space group Immm and monoclinic space group C2/c respectively.

  20. Analysis of unsaturated compounds by Ag+ coordination ionspray mass spectrometry: studies of the formation of the Ag+/lipid complex.

    Science.gov (United States)

    Seal, Jennifer R; Havrilla, Christine M; Porter, Ned A; Hachey, David L

    2003-08-01

    Coordination ionspray mass spectrometry (CIS-MS) is a useful tool in the detection and identification of cholesterol ester and phospholipid hydroperoxides and diacyl peroxides. Extensive studies of a series of cholesterol esters using CIS-MS revealed the following: (1) Cholesterol esters with equal number of double bonds as the internal standard showed a linear relative response in the mass spectrometer while compounds with non-equal numbers of double bonds gave a nonlinear relative response. (2) Complex adducts containing cholesterol ester, silver ion, AgF, AgBF(4), and 2-propanoxide form when silver is in molar excess of cholesterol esters, reducing the [M + Ag](+) signal. (3) In a mixture of cholesterol esters where silver is limiting, Ch22:6 and Ch20:4 bind to silver at the expense of Ch18:2 and have a higher signal in the mass spectrometer. (4) In a mixture of cholesterol esters where silver concentration is twofold greater than total cholesterol ester concentration, Ch22:6 and Ch20:4 form large complex adducts more frequently than Ch18:2 and have a lower signal in the mass spectrometer.

  1. Ruthenium(II) piano stool coordination compounds with aminomethylphosphanes: Synthesis, characterisation and preliminary biological study in vitro.

    Science.gov (United States)

    Płotek, Michał; Starosta, Radosław; Komarnicka, Urszula K; Skórska-Stania, Agnieszka; Kołoczek, Przemysław; Kyzioł, Agnieszka

    2017-05-01

    Reaction of {[Ru(η(6)-p-cymene)Cl]2(μ-Cl)2} (1) with aminomethylphosphane derived from morpholine (P{CH2N(CH2CH2)2O}3 (A), PPh2{CH2N(CH2CH2)2O} (B)) or piperazine (P{CH2N(CH2CH2)2NCH2CH3}3 (C), PPh2{CH2N(CH2CH2)2NCH2CH3} (D)) results in four new piano stool ruthenium(II) coordination compounds: [Ru(η(6)-p-cymene)Cl2(A)] (2A), [Ru(η(6)-p-cymene)Cl2(B)] (2B), [Ru(η(6)-p-cymene)Cl2(C)] (2C) and [Ru(η(6)-p-cymene)Cl2(D)] (2D). Every complex was fully characterized using spectroscopic methods ((1)H, (13)C{(1)H}, (31)P{(1)H} NMR and ESI-MS), elemental analysis, X-ray single crystal diffraction and DFT calculations. Preliminary studies of in vitro cytotoxicity on the A549 (human lung adenocarcinoma) and MCF7 (human breast adenocarcinoma) cell lines revealed 2A-2D activity in the same order of magnitude as in the case of cisplatin. Additionally, the study confirmed the ability of 2A-2D to interact with DNA helix and transferrin. Copyright © 2017 Elsevier Inc. All rights reserved.

  2. Highly selective and sensitive detection of metal ions and nitroaromatic compounds by an anionic europium(iii) coordination polymer.

    Science.gov (United States)

    Feyisa Bogale, Raji; Ye, Junwei; Sun, Yuan; Sun, Tongxin; Zhang, Siqi; Rauf, Abdul; Hang, Cheng; Tian, Peng; Ning, Guiling

    2016-07-01

    A luminescent Eu(iii)-based coordination polymer, {[Eu(H2O)5(BTEC)][H(C5H6N2)]·3H2O} () has been synthesized under hydrothermal conditions using 1,2,4,5-benzenetetracarboxylic acid (H4BTEC) as a linker. Compound possesses an anionic zig-zag chain constructed from the BTEC ligands and [EuO4(H2O)5] nodes. The protonated 4-aminopyridine groups as guests are located between chains. exhibits the characteristic sharp emission bands of Eu(3+) at 578, 593, 615, 652 and 693 nm upon excitation at 290 nm. The strong emission of could be quenched effectively by trace amounts of Fe(3+) ions even in the presence of other metal ions including Al(3+), Ca(2+), Cd(2+), Co(2+), Cr(3+), Cu(2+), Fe(2+), K(+), Mg(2+), Mn(2+), Pd(2+) and Zn(2+). Similarly, also exhibits superior selectivity and sensitivity towards 4-nitrophenol (4-NP) compared with other competing interfering analytes, such as 2,4,6-trinitrophenol, 2,6-dinitrotolune, 4-nitrotoluene, nitrobenzene, 1,3-dinitrobenzene, o-xylene, nitromethane, nitropropane, phenol, 4-bromophenol and bromobenzene, through a fluorescence quenching mechanism. The possible fluorescence quenching mechanisms are discussed. Moreover, could be used as a visual fluorescent test paper for selectively detecting trace amounts of Fe(3+) and 4-NP.

  3. Cytotoxic activity, X-ray crystal structures and spectroscopic characterization of cobalt(II), copper(II) and zinc(II) coordination compounds with 2-substituted benzimidazoles.

    Science.gov (United States)

    Sánchez-Guadarrama, Obdulia; López-Sandoval, Horacio; Sánchez-Bartéz, Francisco; Gracia-Mora, Isabel; Höpfl, Herbert; Barba-Behrens, Noráh

    2009-09-01

    Herein we present the synthesis, structural and spectroscopic characterization of coordination compounds of cobalt(II), copper(II) and zinc(II) with 2-methylbenzimidazole (2mbz), 2-phenylbenzimidazole (2phbz), 2-chlorobenzimidazole (2cbz), 2-benzimidazolecarbamate (2cmbz) and 2-guanidinobenzimidazole (2gbz). Their cytotoxic activity was evaluated using human cancer cell lines, PC3 (prostate), MCF-7 (breast), HCT-15 (colon), HeLa (cervic-uterine), SKLU-1 (lung) and U373 (glioblastoma), showing that the zinc(II) and copper(II) compounds [Zn(2mbz)(2)Cl(2)].0.5H(2)O, [Zn(2cmbz)(2)Cl(2)].EtOH, [Cu(2cmbz)Br(2)].0.7H(2)O and [Cu(2gbz)Br(2)] had significant cytotoxic activity. The isostructural cobalt(II) complexes showed not significant activity. The cytotoxic activity is related to the presence of halides in the coordination sphere of the metal ion. Recuperation experiments with HeLa cells, showed that the cells recuperated after removing the copper(II) compounds and, on the contrary, the cells treated with the zinc(II) compounds did not. These results indicate that the mode of action of the coordination compounds is different.

  4. Preparation,Crystal Structure and Thermal Analyses of a Nitrogen-rich Coordination Compound [Co(DAT)6](PA)2·4H2O

    Institute of Scientific and Technical Information of China (English)

    CUI Yan; ZHANG Jian-Guo; ZHANG Tong-Lai; YANG Li; ZANG Yan; SHU Yuan-Jie

    2008-01-01

    A new coordination compound [Co(DAT)6](PA)2·4H2O has been prepared by using 1,5-diaminotetrazole(DAT)as ligands and picrate(PA)as acidic anions,and structurally characterized by X-ray single crystal diffraction,ele-mental analysis and FT-IR spectroscopy.The cobalt(Ⅱ)cation coordinates with six N atoms from six bulky DAT molecules to form a six-coordinated and slightly distorted octahedral configuration.The coordination cation is situ-ated between two PA anions whose benzene-ring planes are parallel to each other.The coordination cation and the lecular units are linked together by the intermolecular hydrogen bonds to form the crystal structure,in the formation investigated by using DSC,TG-DTG and FT-IR analyses.The kinetic parameters of the first exothermic process of the title compound were studied by applying the Kissinger's and Ozawa-Doyle's methods.

  5. Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions

    DEFF Research Database (Denmark)

    Johannessen, Christian; Thulstrup, Peter W.

    2007-01-01

    of (6S, 7S)-1,3,5,8,10,12-hexaaza-2,4,9,11-tetraoxo-6,7-diphenyl-dodecanato(4-) cobaltate( III) in DMSO solution and in potassium bromide pellets. The chiral anion exhibits an unusual geometry for cobalt( III), being four-coordinate, planar, and paramagnetic with an intermediate spin state....... The spectroscopic results were compared to measurements performed on the free ligand and to theoretical calculations using density functional theory (B3LYP/TZVP). The results of the VCD analysis of the coordination compound identified an electronic, dipole-forbidden, magnetic dipole-allowed low-lying d-d transition...

  6. THE EFFECT OF STANUM (IV AND GERMANІUM (IV COORDINATION COMPOUNDS ON Bacillus thuringiensis var. israelensis ІМV В-7465 PEPTIDASES ACTIVITY

    Directory of Open Access Journals (Sweden)

    Nidialkova N. А.

    2015-08-01

    Full Text Available The purpose of the research was to investigate the influence of stanum (IV and germanium (IV coordination compounds on peptidases 1 and 2 of Bacillus thuringiensis var. israelensis ІМV В-7465 activity. The study of coordination compounds effect on peptidase activity was carried out by complexes with the enzymes incubation and residual activity to the collagen, elastin and fibrin determination. It was revealed the regularity in the influence of different structure complex compounds on peptidases of B. thuringiensis var. israelensis ІМV В-7465 activity. The stanum (IV complexes with salicyloylhydrazones of aromatic aldehydes increase collagenase and elastase activities. Substituents replacement in aldehyde fragment of stanum (IV with isonicotinoylhydrazones of aromatic aldehydes complexes by the less polar ones contributed to increase of elastase activity of both enzymes while an absence of substituents enables to increase peptidase 2 fibrinolytic activity. The complexes of germanіum (IV with isonicotinoylhydrazone of salicylic aldehyde which contain Zn and Co, increased collagenase activity of the peptidase 1 as well as elastase and fibrinolytic activities of the peptidase 2. In general, all tested complexes may be considered as peptidase effectors of B. thuringiensis var. israelensis ІМV В-7465. A difference of complexes effect on activities of the both enzymes is due to the characteristics of the structure of coordination compounds.

  7. Effect of Pd(II and Ni(II coordination compounds with 4-amino-3-mercapto-5-methyl-1,2,4-triazole on the mitochondrial dehydrogenases activity

    Directory of Open Access Journals (Sweden)

    S. I. Orysyk

    2015-02-01

    Full Text Available Pd(II and Ni(II complex compounds: [Pd(AMMT2]Cl2 (1, [Pd(AMMT4]Cl2 (2 and [Ni(AMMT2(H2O2](NO32 (3 with 4-amino-3-mercapto-5-methyl-1,2,4-triazole (AMMT have been synthesized. The spectral characteristics of 1, 2 were studied by 1H (13C NMR and UV-Vis spectroscopy. X-ray diffraction studies established that all complexes contain the AMMT molecule, which are coordinated to the central metal ion in the thione tautomeric form. At the ratio M : L = 1 : 2 ligand is coordinated in bidentate chelate manner by the nitrogen of amino- and sulfur of mercapto group (compounds 1, 3. But the molar ratio M : L = 1 : 4 leads to monodentate coordination of AMMT molecules only by sulfur of mercaptogroup (complex 2. Vacant coordination sites of the metal ion are occupied by water molecules (complex 3. The screening of complexes 1−3 and starting compounds [АММТ, K2PdCl4 (4, Ni(NO32∙6H2O (5] by their mitochondrial dehydrogenase activity have been performed by us for the first time, resulting in established that the Pd(II complexes (1, 2, Pd(II salt (4 and AMMT normalize the activity of mitochondrial dehydrogenases of cancer HeLa cells, identified by MTT-test. In contrast, the Ni(II complex (3 and Ni(II salt (5 do not stimulate the activity of mitochondrial dehydrogenases. It has been found, that all investigated compounds do not affect on the cell cycle and the level of apoptotic cells as well as do not show a toxic effect. Thus, these results indicate that AMMT and Pd(II complexes may be used as modifiers of mitochondrial respiration, which dysfunction is particularly evident in the tumor cells.

  8. Scanning compound surfaces with no existing CAD model by using laser probe of a coordinate measuring machine

    Science.gov (United States)

    Che, Chenggang

    1992-09-01

    In recent years, the manufacturing of parts with compound surfaces relies more and more on computer integrated manufacturing (CIM) because of the ever increasing complexity of surface features. For a standard CIM cycle, it starts from a computer aided design (CAD) model which was designed previously be experienced mechanical drafters. The CAD model is then interpreted as numerical controlled (NC) machining codes according to which the part is finally manufactured, this is usually referred to as the normal manufacturing process in Figure 1. However, in many cases, a CAD model of a part is not always readily available to begin the CIM cycle. For instance, in automobile industry, the development of new car models takes a long time from concept to model because of the tedious manual digitization process. Also, in some other cases, the mechanical design of a product may need frequent modification, such as ship hulls, aeroplane fuselages, wings and turbine blades, etc. This was traditionally done by copymilling of a master model. In a computer aided manufacturing (CAM) environment, a mathematical model or representation of a part is required to begin a CIM cycle. The automation of the whole manufacturing system requires a rapid part modeling tool. Fortunately, this becomes possible with the advent of recent development in optical sensing devices and many non-contact sensing techniques. Before a part model is established, surface digitization should first be implemented so that enough measurement points can be fitted later, and this is the most important step of the reverse engineering process as in Figure 1. And also, it is obvious that the efficiency and accuracy of the surface modeling relies heavily on the efficiency and accuracy of the surface digitization. The present paper aims at achieving surface digitization accurately and rapidly with a coordinate measurement machine (CMM) and an inexpensive laser range-finding probe. By making full use of the control system of

  9. Nonoxido V(IV) Complexes: Prediction of the EPR Spectrum and Electronic Structure of Simple Coordination Compounds and Amavadin.

    Science.gov (United States)

    Sanna, Daniele; Sciortino, Giuseppe; Ugone, Valeria; Micera, Giovanni; Garribba, Eugenio

    2016-08-01

    Density functional theory (DFT) calculations of the (51)V hyperfine coupling (HFC) tensor A have been completed for 20 "bare" V(IV) complexes with different donor sets, electric charges, and coordination geometries. Calculations were performed with ORCA and Gaussian software, using functionals BP86, TPSS0, B1LYP, PBE0, B3LYP, B3P, B3PW, O3LYP, BHandHLYP, BHandH, and B2PLYP. Among the basis sets, 6-311g(d,p), 6-311++g(d,p), VTZ, cc-pVTZ, def2-TZVPP, and the "core properties" CP(PPP) were tested. The experimental Aiso and Ai (where i = x or z, depending on the geometry and electronic structure of V(IV) complex) were compared with the values calculated by DFT methods. The results indicated that, based on the mean absolute percentage deviation (MAPD), the best functional to predict Aiso or Ai is the double hybrid B2PLYP. With this functional and the basis set VTZ, it is possible to predict the Aiso and Az of the EPR spectrum of amavadin with deviations of -1.1% and -2.0% from the experimental values. The results allowed us to divide the spectra of nonoxido V(IV) compounds in three types-called "type 1", "type 2", and "type 3", characterized by different composition of the singly occupied molecular orbital (SOMO) and relationship between the values of Ax, Ay, and Az. For "type 1" spectra, Az ≫ Ax ≈ Ay and Az is in the range of (135-155) × 10(-4) cm(-1); for "type 2" spectra, Ax ≈ Ay ≫ Az and Ax ≈ Ay are in the range of (90-120) × 10(-4) cm(-1); and for the intermediate spectra of "type 3", Az > Ay > Ax or Ax > Ay > Az, with Az or Ax values in the range of (120-135) × 10(-4) cm(-1). The electronic structure of the V(IV) species was also discussed, and the results showed that the values of Ax or Az are correlated with the percent contribution of V-dxy orbital in the SOMO. Similarly to V(IV)O species, for amavadin the SOMO is based mainly on the V-dxy orbital, and this accounts for the large experimental value of Az (153 × 10(-4) cm(-1)).

  10. Structural, vibrational, and electronic properties of an uncoordinated pseudoephedrine derivative and its mononuclear and trinuclear copper(II)-coordinated compounds: A combined theoretical and experimental study

    Science.gov (United States)

    Valencia, Israel; Ávila-Torres, Yenny; Barba-Behrens, Norah; Garzón, Ignacio L.

    2014-11-01

    Multicopper oxidases are fundamental in a variety of biological processes in bacteria, fungi and vertebrates. The catalytic center in these enzymes is formed basically by three copper ions, bridged by oxygen bonds. In order to get insights into the reactivity of these complex systems, biomimetic compounds are usually synthesized. Accordingly, in this work, we studied structural, vibrational, and electronic properties of an uncoordinated pseudoephedrine derivative, as well as its corresponding mononuclear and trinuclear copper(II)-coordinated complexes by means of density functional theory. The calculations are compared with experimental results using measurements of the infrared spectra. It is obtained that the molecular configuration of the pseudoephedrine amino-alcohol derivative is stabilized by hydrogen bonding Osbnd H⋯N and by Csbnd H⋯π interactions that are not present in the mononuclear and trinuclear compounds. The coordination compounds show octahedral and square pyramid geometries, respectively, which are slightly distorted by Jahn-Teller effects. The analysis of their theoretical and experimental IR spectra reveals signals related with hydrogen bonding as well as metal-ligand vibrational modes. Regarding the electronic structure, the density of states was calculated in order to analyze the atomic orbital contributions present in these compounds. This analysis would provide useful insights about the optical behavior, for example, in the visible region of the spectrum of the coordinated compounds. At these energies, the optical absorption would be influenced by the orbital interaction of the Cu2+d orbitals with sp ones of the ligand, reflecting a decrease of the HOMO-LUMO gap of the organic ligand due to the presence of the copper(II) ions.

  11. First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties.

    Science.gov (United States)

    Reis, Samira G; Briganti, Matteo; Martins, Daniel O T A; Akpinar, Handan; Calancea, Sergiu; Guedes, Guilherme P; Soriano, Stéphane; Andruh, Marius; Cassaro, Rafael A A; Lahti, Paul M; Totti, Federico; Vaz, Maria G F

    2016-02-21

    The synthesis, crystal structures and magnetic properties of two families of heterospin complexes containing lanthanide ions and a bis(imino nitroxide) biradical (IPhIN = 1-iodo-3,5-bis(4',4',5',5'-tetramethyl-4',5'-dihydro-1H-imidazole-1'-oxyl)benzene) are reported: in [Ln2(hfac)6(IPhIN)(H2O)2] compounds, two lanthanide ions [Ln = Gd(III) (1) and Dy(III) (2)] are coordinated to the biradical, and in [Ln(hfac)3(IPhIN)(H2O)] compounds, one lanthanide ion (Ln = Tb(III) (3), Gd(III) (4) or Dy(III) (5)) is coordinated to the biradical. Ferromagnetic intramolecular magnetic interactions between Gd(III) and the biradical were found for 1 and 4, while intramolecular magnetic interactions between the radicals were ferro- and antiferromagnetic, respectively. Compound 2 shows a field induced slow relaxation of magnetization, which (under an external applied field of 2 kOe) exhibits an activation energy barrier of ΔE/kB = 27 K and a pre-exponential factor of 1.4 × 10(-8) s. To support the magnetic characterization of compound 3ab initio calculations were also performed.

  12. Pyridyl-functionalised 3H-1,2,3,4-triazaphospholes: synthesis, coordination chemistry and photophysical properties of low-coordinate phosphorus compounds.

    Science.gov (United States)

    Sklorz, Julian A W; Hoof, Santina; Rades, Nadine; De Rycke, Nicolas; Könczöl, László; Szieberth, Dénes; Weber, Manuela; Wiecko, Jelena; Nyulászi, László; Hissler, Muriel; Müller, Christian

    2015-07-27

    Novel conjugated, pyridyl-functionalised triazaphospholes with either tBu or SiMe3 substituents at the 5-position of the N3 PC heterocycle have been prepared by a [3+2] cycloaddition reaction and compared with structurally related, triazole-based systems. Photoexcitation of the 2-pyridyl-substituted triazaphosphole gives rise to a significant fluorescence emission with a quantum yield of up to 12 %. In contrast, the all-nitrogen triazole analogue shows no emission at all. DFT calculations indicate that the 2-pyridyl substituted systems have a more rigid and planar structure than their 3- and 4-pyridyl isomers. Time-dependent (TD) DFT calculations show that only the 2-pyridyl-substituted triazaphosphole exhibits similar planar geometry, with matching conformational arrangements in the lowest energy excited state and the ground state; this helps to explain the enhanced emission intensity. The chelating P,N-hybrid ligand forms a Re(I) complex of the type [(N^N)Re(CO)3 Br] through the coordination of nitrogen atom N(2) to the metal centre rather than through the phosphorus donor. Both structural and spectroscopic data indicate substantial π-accepting character of the triazaphosphole, which is again in contrast to that of the all-nitrogen-containing triazoles. The synthesis and photophysical properties of a new class of phosphorus-containing extended π systems are described.

  13. Sarcoplasmic reticulum calcium ATPase is inhibited by organic vanadium coordination compounds: pyridine-2,6-dicarboxylatodioxovanadium(V), BMOV, and an amavadine analogue.

    Science.gov (United States)

    Aureliano, Manuel; Henao, Fernando; Tiago, Teresa; Duarte, Rui O; Moura, J J G; Baruah, Bharat; Crans, Debbie C

    2008-07-07

    The general affinity of the sarcoplasmic reticulum (SR) Ca (2+)-ATPase was examined for three different classes of vanadium coordination complexes including a vanadium(V) compound, pyridine-2,6-dicarboxylatodioxovanadium(V) (PDC-V(V)), and two vanadium(IV) compounds, bis(maltolato)oxovanadium(IV) (BMOV), and an analogue of amavadine, bis( N-hydroxylamidoiminodiacetato)vanadium(IV) (HAIDA-V(IV)). The ability of vanadate to act either as a phosphate analogue or as a transition-state analogue with enzymes' catalysis phosphoryl group transfer suggests that vanadium coordination compounds may reveal mechanistic preferences in these classes of enzymes. Two of these compounds investigated, PDC-V(V) and BMOV, were hydrolytically and oxidatively reactive at neutral pH, and one, HAIDA-V(IV), does not hydrolyze, oxidize, or otherwise decompose to a measurable extent during the enzyme assay. The SR Ca (2+)-ATPase was inhibited by all three of these complexes. The relative order of inhibition was PDC-V(V) > BMOV > vanadate > HAIDA-V(IV), and the IC 50 values were 25, 40, 80, and 325 microM, respectively. Because the observed inhibition is more potent for PDC-V(V) and BMOV than that of oxovanadates, the inhibition cannot be explained by oxovanadate formation during enzyme assays. Furthermore, the hydrolytically and redox stable amavadine analogue HAIDA-V(IV) inhibited the Ca (2+)-ATPase less than oxovanadates. To gauge the importance of the lipid environment, studies of oxidized BMOV in microemulsions were performed and showed that this system remained in the aqueous pool even though PDC-V(V) is able to penetrate lipid interfaces. These findings suggest that the hydrolytic properties of these complexes may be important in the inhibition of the calcium pump. Our results show that two simple coordination complexes with known insulin enhancing effects can invoke a response in calcium homeostasis and the regulation of muscle contraction through the SR Ca (2+)-ATPase.

  14. Synthesis and characterization of a cadmium(II)-organic supramolecular coordination compound based on the multifunctional 2-amino-5-sulfobenzoic acid ligand.

    Science.gov (United States)

    Yuan, Gan Yin; Zhang, Lei; Wang, Meng Jie; Zhang, Kou Lin

    2016-12-01

    Much attention has been paid by chemists to the construction of supramolecular coordination compounds based on the multifunctional ligand 5-sulfosalicylic acid (H3SSA) due to the structural and biological interest of these compounds. However, no coordination compounds have been reported for the multifunctional amino-substituted sulfobenzoate ligand 2-amino-5-sulfobenzoic acid (H2asba). We expected that H2asba could be a suitable building block for the assembly of supramolecular networks due to its interesting structural characteristics. The reaction of cadmium(II) nitrate with H2asba in the presence of the auxiliary flexible dipyridylamide ligand N,N'-bis[(pyridin-4-yl)methyl]oxamide (4bpme) under ambient conditions formed a new mixed-ligand coordination compound, namely bis(3-amino-4-carboxybenzenesulfonato-κO(1))diaquabis{N,N'-bis[(pyridin-4-yl)methyl]oxamide-κN}cadmium(II)-N,N'-bis[(pyridin-4-yl)methyl]oxamide-water (1/1/4), [Cd(C7H6NO5S)2(C14H14N4O2)2(H2O)2]·C14H14N4O2·4H2O, (1), which was characterized by single-crystal and powder X-ray diffraction analysis (PXRD), FT-IR spectroscopy, thermogravimetric analysis (TG), and UV-Vis and photoluminescence spectroscopic analyses in the solid state. The central Cd(II) atom in (1) occupies a special position on a centre of inversion and exhibits a slightly distorted octahedral geometry, being coordinated by two N atoms from two monodentate 4bpme ligands, four O atoms from two monodentate 4-amino-3-carboxybenzenesulfonate (Hasba(-)) ligands and two coordinated water molecules. Interestingly, complex (1) further extends into a threefold polycatenated 0D→2D (0D is zero-dimensional and 2D is two-dimensional) interpenetrated supramolecular two-dimensional (4,4) layer through intermolecular hydrogen bonding. The interlayer hydrogen bonding further links adjacent threefold polycatenated two-dimensional layers into a three-dimensional network. The optical properties of complex (1) indicate that it may be used as a

  15. Syntheses and structural characterization of iron(II) and copper(II) coordination compounds with the neutral flexible bidentate N-donor ligands

    Science.gov (United States)

    Beheshti, Azizolla; Lalegani, Arash; Bruno, Giuseppe; Rudbari, Hadi Amiri

    2014-08-01

    Two new coordination compounds [Fe(bib)2(N3)2]n(1) and [Cu2(bpp)2(N3)4] (2) with azide and flexible ligands 1,4-bis(imidazolyl)butane (bib) and 1,3-bis(3,5-dimethylpyrazolyl)propane (bpp) were prepared and structurally characterized. In the 2D network structure of 1, the iron(II) ion lies on an inversion center and exhibits an FeN6 octahedral arrangement while in the dinuclear structure of 2, the copper(II) ion adopts an FeN5 distorted square pyramid geometry. In the complex 1, each μ2-bib acts as bridging ligand connecting two adjacent iron(II) ions while in the complex 2, the bpp ligand is coordinated to copper(II) ion in a cyclic-bidentate fashion forming an eight-membered metallocyclic ring. Coordination compounds 1 and 2 have been characterized by infrared spectroscopy, elemental analyses and single-crystal X-ray diffraction. Thermal analysis of polymer 1 was also studied.

  16. Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions.

    Science.gov (United States)

    Johannessen, Christian; Thulstrup, Peter W

    2007-03-14

    Vibrational absorption (VA) and vibrational circular dichroism (VCD) spectroscopy was applied in the analysis of vibrational and low lying electronic transitions of a triplet ground state cobalt(III) coordination compound. The spectroscopic measurements were performed on the tetrabutylammonium salt of (6S,7S)-1,3,5,8,10,12-hexaaza-2,4,9,11-tetraoxo-6,7-diphenyl-dodecanato(4-)cobaltate(III) in DMSO solution and in potassium bromide pellets. The chiral anion exhibits an unusual geometry for cobalt(III), being four-coordinate, planar, and paramagnetic with an intermediate spin state. The spectroscopic results were compared to measurements performed on the free ligand and to theoretical calculations using density functional theory (B3LYP/TZVP). The results of the VCD analysis of the coordination compound identified an electronic, dipole-forbidden, magnetic dipole-allowed low-lying d-d transition located in the mid infrared, as well as several amide stretch transitions located in the fingerprint region (1800-1100 cm(-1)), in both the liquid and solid phase. VCD signals were found to be 5-10 times higher than expected, indicating enhancement of the vibrational CD signals, caused by coupling of the vibrational transitions with the close-lying electronic transition.

  17. In vitro Biocompatibility of New Silver(I Coordination Compound Coated-Surfaces for Dental Implant Applications

    Directory of Open Access Journals (Sweden)

    Priscilla S. Brunetto

    2011-01-01

    Full Text Available Biofilm formation on implant materials causes a common problem: resistance to aggressive pharmacological agents as well as host defenses. Therefore, to reduce bacterial adhesion to implant surfaces we propose to use silver(I coordination networks as it is known that silver is the most powerful antimicrobial inorganic agent. As a model surface, self-assembled monolayers (SAMs on gold Au(111 was used to permit permanent attachment of our silver(I coordination networks. The surface coatings showed typical nano-structured surfaces with a good biocompatibility for soft-tissue integration with fibroblast cells.

  18. Synthesis,Characterization and Thermodynamic Study of the Solid State Coordination Compound Ni(Nic)2·H2O(s)(Nic=Nicotinate)

    Institute of Scientific and Technical Information of China (English)

    CHEN Jingtao; HE Donghua; DI Youying; KONG Yuxia; YANG Weiwei; DAN Wenyan; TAN Zhicheng

    2009-01-01

    A novel compound-monohydrated nickel nicotinate was synthesized by the method of room temperature solid phase synthesis and ball grinder.FT1R,chemical and elemental analysis,TG/DTG,and X-ray powder diffraction technique were applied to characterize the structure and composition of the coordination compound.Low-temperature heat capacities of the solid coordination compound have been measured by a precision automated adiabatic calorimeter over the temperature range from 78 to 386 K.A solid-solid phase transition occurred in the temperature range of 328-358 K in the heat capacity curve,and the peak temperature,the molar enthalpy and moties in the temperature ranges of 78-328 K and 358-386 K were fitted to two polynomials,respectively.The polynomial fitted values of the molar heat capacities and fundamental thermodynamic functions of the sample relative to the standard reference temperature 298.15 K were calculated and tabulated at the intervals of 5 K.

  19. Characterization of vanadium compounds in selected crudes. II. Electron paramagnetic resonance studies of the first coordination spheres in porphyrin and non-porphyrin fractions

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, J.G.; Biggs, W.R.; Fetzer, J.C.

    1985-11-01

    The authors applied electron paramagnetic resonance spectroscopy (EPR) to heavy petroleum fractions to characterize the first coordination sphere around the vanadyl +2 ion. The fractions were generated using a modified porphyrin extraction procedure. For the residual oil from the extraction, which contains the non-porphyrin metals, the first coordination sphere was dominated by 4N and N O 2S for Boscan, Beta, Morichal, and Arabian Heavy crudes. Maya had distinctively different parameters. These findings are significant for determining the overall structure of metal-containing compounds in heavy crude oils. They discuss the difference between the porphyrin and non-porphyrin behavior, possible biogenic precursors, and some process implications. 59 references, 1 figure, 2 tables.

  20. Evans-Showell-Type Polyoxometalates Constructing High-Dimensional Inorganic-Organic Hybrid Compounds with Copper-Organic Coordination Complexes: Synthesis and Oxidation Catalysis.

    Science.gov (United States)

    An, Haiyan; Hou, Yujiao; Wang, Lin; Zhang, Yumeng; Yang, Wei; Chang, ShenZhen

    2017-10-02

    Four new hybrid architectures containing a [Co2Mo10H4O38](6-) polyoxoanion, (en)[Cu3(ptz)4(H2O)4][Co2Mo10H4O38]·24H2O (1), (Hbim)2[{Cu(bim)2(H2O)2}2{Co2Mo10H4O38}]·5H2O (2), H2[Cu(dpdo)3(H2O)4][{Cu2(dpdo)3(H2O)4(CH3CN)}2{Co2Mo10H4O38}2]·9H2O (3), and (H2bpp)4[{Cu(H2O)2}{NaCo2Mo10H4O38}2]·10H2O (4), where ptz = 5-(4-pyridyl)-1H-tetrazole, en = ethylenediamine, bim = benzimidazole, dpdo = 4,4'-bipyridine-N,N'-dioxide, and bpp = 1,3-bis(4-pyridyl)propane, have been prepared and characterized through elemental analysis, thermogravimetric analysis, IR spectroscopy, and powder and single-crystal X-ray diffraction. Compound 1 shows a 3D host-guest framework composed of 3D Cu-ptz as the host and Evans-Showell-type polyoxoanion [Co2Mo10H4O38](6-) as the guest. Compound 2 is constructed from [Co2Mo10H4O38](6-) polyoxoanions and Cu-bim coordination complexes to form a 2D covalent layer. Compound 3 also exhibits a 2D hybrid network based on [Co2Mo10H4O38](6-) polyoxoanions linked by Cu-dpdo coordination groups. Compound 4 is a 1D double-chain structure composed of [Co2Mo10H4O38](6-) polyoxoanions joined together by Na(+) and Cu(2+) cations. As far as we know, compound 1 is the first host-guest compound with an Evans-Showell-type polyoxometalate as the guest, and compounds 2 and 3 are the first 2D inorganic-organic hybrid architectures constructed from Evans-Showell-type polyoxometalates. Compounds 1-4 are redox catalysts that heterogeneously prompt sulfide and alcohol oxidation with excellent efficiency.

  1. Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Singh; Svitlyk, V.; Mozharivskyj, Y.

    : Dalton Trans., vol.40(5); 2011; 1020-1023 Mono and dinuclear arene ruthenium (II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds Keisham Sarjit Singh a* , Volodymyr Svitlyk b , Yurij Mozharivskyj b a.... Kauffmann, Angew. Chem., Int. Ed. Engl., 1974, 13, 627-639. 7 Z.- X. Wang, H.- L. Qin, Chem. Commun., 2003, 2450-2451. 10 8 Z. Dori, R. F. Ziolo, Chem. Rev., 1973, 73, 247-254. 9 (a) K. S. Singh, K. A. Kreisel, G. P. Yap, M. R. Kollipara, J. Organomet...

  2. Three novel Cu6S6 cluster-based coordination compounds: synthesis, framework modulation and the sensing of small molecules and Fe(3+) ions.

    Science.gov (United States)

    Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Shao, Jia; Qiu, Xiao-Min; Jia, Ying-Ying; Wang, Jun; Zhang, Xiao

    2016-08-01

    Three novel Cu6S6 cluster-based coordination compounds formulated as [Cu(mpymt)3]2 (1), {(CuBr4)[Cu(mpymt)6]}n (2), and {(CuI6)[Cu(mpymt)6]}n (3) (Hmpymt = 4-methylpyrimidine-2-thione), have been synthesized under solvothermal conditions and characterized by elemental analysis, infrared (IR) spectroscopy, thermal gravimetric analysis, powder X-ray diffraction and single-crystal X-ray diffraction. Structural analysis reveals that compound 1 shows a distorted octahedral core of six copper atoms (Cu6S6) constructed from four α and two β type N[double bond, length as m-dash]C-SH parts from six mpymt(-) anions. Compound 2 displays an interesting 3D framework constructed from Cu6S6 and Cu4Br4 Cu(i) clusters simultaneously, interestingly, six mpymt(-) with α type N[double bond, length as m-dash]C-SH parts are involved in the formation of Cu6S6. Compound 3 displays an infinite 1D framework constructed from Cu6S6 and Cu6I6 Cu(i) clusters, notably, four α and two β type N[double bond, length as m-dash]C-SH parts are involved in the formation of the Cu6S6 cluster, however, only mpymt(-) ligands containing α type N[double bond, length as m-dash]C-SH parts form the bridged Cu6I6 cluster. The experimental results reveal that halogen ions finely modulate the structural features of compounds 1-3. The fluorescent properties of compounds 1-3 in the solid state and in various solvent emulsions were investigated in detail, the results of which indicate that compounds 1-3 are all highly sensitive naked eye colorimetric sensors for NB, 2-NT and Fe(3+) (NB = nitrobenzene and 2-NT = 2-nitrotoluene).

  3. Single crystal to single crystal transformation and hydrogen-atom transfer upon oxidation of a cerium coordination compound.

    Science.gov (United States)

    Williams, Ursula J; Mahoney, Brian D; Lewis, Andrew J; DeGregorio, Patrick T; Carroll, Patrick J; Schelter, Eric J

    2013-04-15

    Trivalent and tetravalent cerium compounds of the octamethyltetraazaannulene (H2omtaa) ligand have been synthesized. Electrochemical analysis shows a strong thermodynamic preference for the formal cerium(IV) oxidation state. Oxidation of the cerium(III) congener Ce(Homtaa)(omtaa) occurs by hydrogen-atom transfer that includes a single crystal to single crystal transformation upon exposure to an ambient atmosphere.

  4. Copper inorganic-organic hybrid coordination compound as a novel L-cysteine electrochemical sensor: Synthesis, characterization, spectroscopy and crystal structure

    Indian Academy of Sciences (India)

    Zohreh Derikvand; Azadeh Azadbakht

    2015-11-01

    Dinuclear coordination compound of Cu(II), namely, [Cu2(pydc)2(pz)(H2O)2]·2H2O, where pydc = pyridine-2,6-dicarboxylic acid (dipicolinic acid) and pz = pyrazine has been synthesized and characterized by elemental analysis, spectra (IR, UV-Vis), thermal (TG/DTG) analysis, magnetic measurements and single crystal X-ray diffraction. In the dimeric structure, the planar tridentate pyridine-2,6-dicarboxylic acid dianion coordinates to a Cu(II) ion in a meridional fashion and defines the basal plane of the complex. The fourth equatorial coordination site is then occupied by a pyrazine molecule that functions as a linear bidentate ligand bridging two Cu(II) complexes to form a dimer. The axial positions of each Cu(II) complex are occupied by one water molecule to form a distorted square pyramidal geometry. The complicated hydrogen bonding network accompanied with C–O· · · and C–H· · · stacking interactions assemble the crystal structure of 1 into a fascinating supramolecular architecture. Electrochemical behavior of [Cu2(pydc)2(pz)(H2O)2] (Cu-PDAP) on the surface of carbon nanotube (CNTs) glassy carbon electrode (GCE) is described. Oxidation of cysteine on the surface of modified electrode was investigated with cyclic voltammetry and electrochemical impedance spectroscopy (EIS). The results show that the Cu-PDAP/CNTs film displays excellent electrochemical catalytic activities towards L-cysteine oxidation.

  5. Addressing the chemical sorcery of "GaI": benefits of solid-state analysis aiding in the synthesis of P→Ga coordination compounds.

    Science.gov (United States)

    Malbrecht, Brian J; Dube, Jonathan W; Willans, Mathew J; Ragogna, Paul J

    2014-09-15

    The differing structures and reactivities of "GaI" samples prepared with different reaction times have been investigated in detail. Analysis by FT-Raman spectroscopy, powder X-ray diffraction, (71)Ga solid-state NMR spectroscopy, and (127)I nuclear quadrupole resonance (NQR) provides concrete evidence for the structure of each "GaI" sample prepared. These techniques are widely accessible and can be implemented quickly and easily to identify the nature of the "GaI" in hand. The "GaI" prepared from exhaustive reaction times (100 min) is shown to possess Ga2I3 and an overall formula of [Ga(0)]2[Ga(+)]2[Ga2I6(2-)], while the "GaI" prepared with the shortest reaction time (40 min) contains GaI2 and has the overall formula [Ga(0)]2[Ga(+)][GaI4(-)]. Intermediate "GaI" samples were consistently shown to be fractionally composed of each of these two preceding formulations and no other distinguishable phases. These "GaI" phases were then shown to give unique products upon reactions with the anionic bis(phosphino)borate ligand class. The reaction of the early-phase "GaI" gives rise to a unique phosphine Ga(II) dimeric coordination compound (3), which was isolated reproducibly in 48% yield and convincingly characterized. A base-stabilized GaI→GaI3 fragment (4) was also isolated using the late-phase "GaI" and characterized by multinuclear NMR spectroscopy and X-ray crystallography. These compounds can be considered unique examples of low-oxidation-state P→Ga coordination compounds and possess relatively long Ga-P bond lengths in the solid-state structures. The anionic borate backbone therefore results in interesting architectures about gallium that have not been observed with neutral phosphines.

  6. Theoretical and experimental studies of Cu(II) and Zn(II) coordination compounds with N,O donor bidentate Schiff base ligand containing amino phenol moiety

    Science.gov (United States)

    Kusmariya, Brajendra S.; Tiwari, Anjali; Mishra, A. P.; Naikoo, Gowhar Ahmad

    2016-09-01

    We report here two mononuclear Cu(II) and Zn(II) coordination compounds of general formula [CuII(L)2].2H2O (1) and [ZnII(L)2].3H2O (2) derived from bidentate 2-chloro-6-{[(4-hydroxy-3-methoxyphenyl)methylidene]amino}-4 nitrophenol ligand (HL). These compounds were synthesized and characterized by elemental analysis, FT-IR, uv-vis, 1H NMR, molar conductance, thermal, PXRD, SEM-EDX and electrochemical studies. The PXRD and SEM analysis shows the amorphous/nanocrystalline nature of 1 and crystalline nature of 2. The diffraction peak broadening was explained in terms of domain size and the crystallite lattice strain. Thermogravimetric analysis in the range of 300-1172 K has been performed to determine the thermal stability of synthesized compounds. The non-isothermal kinetic parameters of degradation process were calculated using Coats-Redfern (C-R), Piloyan-Novikova (P-N) and Horowitz-Metzger (H-M) methods assuming first order degradation and proposed a random nucleation mechanism of thermal decomposition for both compounds. The cyclic voltammetric studies reveal the irreversibility of the oxidation/reduction process of synthesized compounds. To support the experimental findings theoretical calculations by means of DFT and TD-DFT at B3LYP level were incorporated. In addition; frequency calculations, HOMO-LUMO, energy gap (ΔE), molecular electrostatic potential (MEP), spin density and crystal packing were also computed at the same level of theory.

  7. New bimetallic dicyanidoargentate(I)-based coordination compounds: Synthesis, characterization, biological activities and DNA-BSA binding affinities

    Science.gov (United States)

    Korkmaz, Nesrin; Aydın, Ali; Karadağ, Ahmet; Yanar, Yusuf; Maaşoğlu, Yelis; Şahin, Ertan; Tekin, Şaban

    2017-02-01

    Four compounds -two (2 and 3) completely new- of composition [Ni(edbea)Ag3(CN)5] (1), [Cu(edbea)Ag2(CN)4]·H2O (2), [Cd(edbea)Ag3(CN)5]·H2O (3) and [Cd(edbea)2] [Ag(CN)2]2·H2O (4) {edbea; 2,2‧-(ethylenedioxy)bis (ethylamine)}, were synthesized and characterized using elemental, FT-IR, X-Ray (4), thermal, variable temperature magnetic measurement (1 and 2) and biological techniques. The DNA/BSA binding affinities of 2 and 3 were evaluated by UV-Vis spectrophotometric titrations, ethidium bromide exchange experiments and electrophoretic mobility measurements. Compounds 1 and 4 have previously been characterized and shown to reduce the proliferation and migration of tumor cells. For the sake of clarity, 1 precise mechanism of action on microbial organisms and temperature magnetic measurement were determined. The crystallographic analyses showed that 4 was built up of [Cd(edbea)2]II cations and [Ag2(CN)4]II anions. Complexes demonstrated a remarkable antibacterial (1-4), antifungal (1-4) and antiproliferative activities (2 and 3) to ten human bacterial pathogens, four plant pathogenic fungi or three tumor cells (HeLa, HT29, and C6), respectively. Therefore, our results strongly confirm that cell proliferation, cell morphology, Bcl-2, P53 changes and apoptosis can be related to the pharmacological effects of the complexes as suitable candidate for clinical trials.

  8. Synthesis and Crystal Structure of New Coordination Compound Mn2Hg4(SCN)12%新型配合物Mn2Hg4(SCN)12的合成与晶体结构分析

    Institute of Scientific and Technical Information of China (English)

    李广慧; 方奇; 薛刚; 于文涛

    2005-01-01

    A new inorganic coordination compound Mn2Hg4(SCN)12 was synthesized. The grown crystals were characterized by elemental analysis, infrared spectroscopic analysis and powder crystal X-ray diffraction in detail. The crystal structure of Mn2Hg4(SCN)12 was determined by single-crystal X-ray diffraction. It belongs to monoclinic system, P21/c space group. The cell dimensions are: a=1.171 6 nm, b=1.431 05 nm, c=2.105 1 nm,β=100.738°,and Z=4. In the structure of it, half of Mn2+ cations have five-coordinate number, and other half of Mn2+ cations have six-coordinate number; 3/4 of Hg2+ cations are coordinated by four SCN-, 1/4 of Hg2+ cations are coordinated by three SCN- and one NCS-, all the coordination geometry of Hg2+ show slightly distorted tetrahedrons. CCDC:244939.

  9. Preparation of solid-state samples of a transition metal coordination compound for synchrotron radiation photoemission studies

    CERN Document Server

    Crotti, C; Celestino, T; Fontana, S

    2003-01-01

    The aim of this research was to identify a sample preparation method suitable for the study of transition metal complexes by photoemission spectroscopy with synchrotron radiation as the X-ray source, even in the case where the compound is not evaporable. Solid-phase samples of W(CO) sub 4 (dppe) [dppe=1,2-bis(diphenylphosphino)ethane] were prepared according to different methods and their synchrotron radiation XPS spectra measured. The spectra acquired from samples prepared by spin coating show core level peaks only slightly broader than the spectrum recorded from UHV evaporated samples. Moreover, for these samples the reproducibility of the binding energy values is excellent. The dependence of the spin coating technique on parameters such as solvent and solution concentration, spinning speed and support material was studied. The same preparation method also allowed the acquisition of valence band spectra, the main peaks of which were clearly resolved. The results suggest that use of the spin coating techniqu...

  10. THE COORDINATION COMPOUNDS OF COBALT (II, III WITH DITHIOCARBAMIC ACID DERIVATIVES — MODIFICATORS OF HYDROLYTIC ENZYMES ACTIVITY

    Directory of Open Access Journals (Sweden)

    L. D. Varbanets

    2013-02-01

    Full Text Available Chloride, bromide and isothiocyanate complexes of cobalt(II with N-substituted thiocarbamoyl-N?-pentamethylenesulfenamides (1–(12, and also complexes of cobalt(II, Ш with derivatives of morpholine-4-carbodithioic acid (13–(18 have been used as modificators of enzymes of hydrolytic action — Bacillus thurin-giensis ІМВ В-7324 peptidases, Bacillus subtilis 147 and Aspergillus flavus var. oryzae 80428 amylases, Eupenicillium erubescens 248 and Cryptococcus albidus 1001 rhamnosidases. It was shown that cobalt (II, Ш compounds influence differently on the activity of enzymes tested, exerted both inhibitory and stimulatory action. It gives a possibility to expect that manifestation of activity by complex molecule depends on ligand and anion presence — Cl–, Br– or NCS–. The high activating action of cobalt(II complexes with N-substituted thiocarbamoyl-N?-pentamethylenesulphenamides (1–(12 on elastase and fibrinolytic activity of peptidases compared to tris(4-morpholinecarbodithioatocobalt(ІІІ (14 and products of its interaction with halogens (15–(17, causes inhibitory effect that is probably due to presence of a weekly S–N link, which is easy subjected to homolytic breaking. The studies of influences of cobalt(II complexes on activity of C. аlbidus and E. еrubescens ?-Lrhamnosidases showed, that majority of compounds inhibits of its activity, at that the most inhibitory effect exerts to C. аlbidus enzyme.To sum up, it is possible to state that character of influence of cobalt(II complexes with N-substituted thiocarbamoyl-N?-pentamethylenesulphenamides, and also cobalt(II, Ш complexes with derivatives of morpholine-4-carbodithioic acid varies depending on both strain producer and enzyme tested. The difference in complex effects on enzymes tested are due to peculiarities of building and functional groups of their active centers, which are also responsible for binding with modificators.

  11. Liquid-Phase Epitaxy Effective Encapsulation of Lanthanide Coordination Compounds into MOF Film with Homogeneous and Tunable White-Light Emission.

    Science.gov (United States)

    Gu, Zhi-Gang; Chen, Zheng; Fu, Wen-Qiang; Wang, Fei; Zhang, Jian

    2015-12-30

    As a new family of hybrid inorganic-organic materials with large porosity, metal-organic frameworks (MOFs) have received attractive attention recently on encapsulating functional guest species. Although the encapsulation of luminescent guest into bulk MOFs can tune the luminescent property, the powder composite materials are limited to the application in optical sensors and devices. In the present work, we use a modified liquid-phase epitaxial (LPE) pump method for the fabrication of lanthanide coordination compounds (LCCs)-encapsulated MOF thin film on substrate with high encapsulation efficiency. The resultant composite film reveals an oriented and homogeneous composite film, in which a white light emission by tuning the LCCs of red, blue and green emission can be obtained. This strategy may open new perspectives for developing high-encapsulation-efficiency, oriented, and homogeneous solid-state lighting composite films in the application of optical sensors and devices.

  12. Synthesis,crystal structures and fluorescence properties of four mixed-ligands Zn(Ⅱ) and Cd(Ⅱ) coordination compounds

    Institute of Scientific and Technical Information of China (English)

    ZHAO LiMin; REN Peng; ZHANG ZhenJie; FANG Ming; SHI Wei; CHENG Peng

    2009-01-01

    Four new coordination compounds,[Zn(dba)(bpy)]n (1),{[Zn(dba)(phen)].2H2O}n (2),[Cd(dba)(bpy)(H2O)2](3) and [Cd2(dba)2(phen)2]n (4) (H2dba = 2,5-dihydroxy-p-benzenediacetic acid,bpy = 2,2'-bipyridine,phen =1,10-phenanthroline) have been prepared via solvothermal method and characterized by single-crystal X-ray diffraction,infrared spectroscopy,elemental analysis and powder X-ray diffraction.1 and 2 possess 1D infinite chain structures.Complex 3 exhibits a mononuclear structure.Complex 4 owns binuclear symmetry units,which were bridged via the dba ligands forming a 2D framework.The fluorescence properties of 1-4 have been studied.

  13. SYNTHESIS AND ANTITUMOR ACTIVITY OF COPPER, NICKEL AND COBALT COORDINATION COMPOUNDS WITH 1-(2-HYDROXYPHENYLETHANONE N(4-ALLYL-3-THIOSEMICARBAZONE

    Directory of Open Access Journals (Sweden)

    Vasilii GRAUR

    2015-12-01

    Full Text Available The paper presents the synthesis of the ligand 1-(2-hydroxyphenylethanone N(4-allyl-3-thiosemicarbazone (H2L and six coordination compounds of copper, nickel and cobalt with this ligand. The structure of thiosemicarbazone H2L was studied using 1H and 13С NMR spectroscopy. The synthesized coordination compounds were studied using elemental analysis, gravimetric analysis of water content, molar conductivity, and magnetochemistry. For H2L the antitumor activity towards human leukemia HL-60 cells and cervical cancer HeLa cells was determined. It was established that the substitution of hydrogen atom with methyl group in the azomethinic fragment leads to the growth of antitumor activity.SINTEZA ŞI ACTIVITATEA ANTITUMORALĂ A COMPUŞILOR COMPLECŞI AI CUPRULUI, NICHELULUI ŞI COBALTULUI CU N(4-ALIL-3-TIOSEMICARBAZONA 1-(2-HIDROXIFENILETANONEILucrarea conţine descrierea sintezei N(4-alil-3-tiosemicarbazonei 1-(2-hidroxifeniletanonei (H2L şi a şase compuşi coordinativi ai cuprului, nichelului şi cobaltului cu acest ligand. Structura tiosemicarbazonei H2L a fost stabilită în baza datelor spectroscopiei RMN 1H şi 13C. Compuşi coordinativi au fost studiaţi cu ajutorul analizei elementale, analizei gravimetrice a conţinutului de apă, conductivitaţii molare şi magnetochimiei. Pentru H2L a fost determinată activitatea antitumorală faţă de celulele leucemiei umane HL-60 şi ale cancerului cervical HeLa. S-a stabilit că înlocuirea atomului de hidrogen cu o grupare metil în fragmentul azomethinic conduce la creşterea activitaţii antitumorale.

  14. Activation of the carbon-fluorine bonds in coordination compounds; Activacion de enlaces carbon-fluor en compuestos de coordinacion

    Energy Technology Data Exchange (ETDEWEB)

    Torrens, H. [Universidad Nacional Autonoma de Mexico, Facultad de Quimica, 04510 Mexico D.F. (Mexico)

    2000-07-01

    Activation of the carbon-fluorine bond is of upmost importance in several chemical processes. In search of synthetic alternatives to promote C-F bond cleavage in arylic systems, several square planar palladium and platinum compounds bearing fluorothiolates and fluorophosphines have been studied. In this paper molecular structures are shown for the following compounds trans-((SC{sub 6}F{sub 5})(P(C{sub 6}F{sub 5}){sub 2}(C{sub 6}H{sub 5}))(Pd({mu}-SC{sub 6}F{sub 5}){sub 2} Pd(SC{sub 6}F{sub 5})(P(C{sub 6}F{sub 5}){sub 2} (C{sub 6}H{sub 5})), cis ((SC{sub 6}F{sub 5}) P(C{sub 6}F{sub 5}){sub 2} (C{sub 6}H{sub 5}) Pt({mu}-SC{sub 6}F{sub 5}){sub 2} Pt(SC{sub 6}F{sub 5}) P(C{sub 6}F{sub 5}){sub 2} (C{sub 6}H{sub 5})), trans Pd ({mu}-SC{sub 6}F{sub 5}){sub 2} Pt(SC{sub 6}F{sub 5})(P(C{sub 6}F{sub 5})(C{sub 6}H{sub 5}){sub 2})), Pt (SC{sub 6}F{sub 5}){sub 2} (C{sub 6}F{sub 5}SC{sub 6}F{sub 4} P(C{sub 6}H{sub 5}){sub 2}))((SC{sub 6}F{sub 5}){sub 2} Pt ({mu}-(SC{sub 6}F{sub 5}){sub 2} Pt(SC{sub 6}F{sub 5}){sub 2}){sup 2-} , (SC{sub 6}HF{sub 4}){sub 2} Pt({mu}-SC{sub 6}HF{sub 4}){sub 2} Pt(SC{sub 6}HF{sub 4}){sub 2}){sup 2-} and ((SC{sub 6}F{sub 4}CF{sub 3}-4){sub 2} Pt (SC{sub 6}F{sub 4}CF{sub 3}-4){sub 2}){sup 2-} . (Author)

  15. Coordination Compounds of Niobium(IV) Oxide Dihalides Including the Synthesis and the Crystallographic Characterization of NHC Complexes.

    Science.gov (United States)

    Bortoluzzi, Marco; Ferretti, Eleonora; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano

    2016-05-01

    The 1:1 molar reactions of NbOX3 with SnBu3H, in toluene at 0 °C in the presence of oxygen/nitrogen donors, resulted in the formation of NbOX2L2 (X = Cl, L2 = dme, 2a; X = Br, L2 = dme, 2b; X = Cl, L = thf, 2c; X = Cl, L = NCMe, 2d; dme = 1,2-dimethoxyethane, thf = tetrahydrofuran), in good yields. The 1:2 reactions of freshly prepared 2d and 2b with the bulky NHC ligands 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene, Imes, and 1,3-bis(2,6-dimethylphenyl)imidazol-2-ylidene, Ixyl, respectively, afforded the complexes NbOCl2(Imes)2, 3, and NbOBr2(Ixyl)2, 4, in 50-60% yields. The reactions of 2b with NaOR, in tetrahydrofuran, gave NbOCl(OR) (R = Ph, 5; R = Me, 6) in about 60% yields. All the products were characterized by analytical and spectroscopic techniques; moreover DFT calculations were carried out in order to shed light on synthetic and structural features. Compounds 3 and 4, whose molecular structures have been ascertained by X-ray diffraction, represent very rare examples of crystallographically characterized niobium-NHC systems.

  16. Synthesis, Characterization, and Thermodynamic Study of the Solid State Coordination Compound Cu(Nic)2·H2O(s)

    Institute of Scientific and Technical Information of China (English)

    DI,You-Ying; KONG,Yu-Xia; WANG,Qing-Chun; YANG,Wei-Wei; TAN,Zhi-Cheng

    2008-01-01

    A novel compound-monohydrated cupric nicotinate was synthesized by the method of room temperature solid phase reaction and a ball grinder. FTIR, chemical and elemental analyses and X-ray powder diffraction techniques were applied to characterize the structure and composition of the complex. Low-temperature heat capacities of the solid coordination compound have been measured by a precision automated adiabatic calorimeter over the temperature range from 78 to 400 K. A melting process occurred in the temperature range of 326-346 K in the heat capacity curve, and the melting point, molar enthalpy and entropy of the fusion were determined to be Tus= (341.290±0.873) K,△fusHm=(13.582±0.012)kJ·mol-1, △fusSm=(39.797±0.067) J·K-1·mol-1. The experimental values of the molar heat capacities in the temperature regions of 78-326 K and 346-400 K were respectively fitted to two polynomial equations. The polynomially fitted values of the molar heat capacities and fundamental ther-modynamic functions of the sample relative to the standard reference temperature 298.15 K were calculated and tabulated at an interval of 5 K.

  17. Determination of the equilibrium miscibility gap in the Pd-Rh alloy system using metal nanopowders obtained by decomposition of coordination compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shubin, Yu.V., E-mail: shubin@niic.nsc.ru; Plyusnin, P.E.; Korenev, S.V.

    2015-02-15

    Highlights: • The Pd-Rh phase diagram has been experimentally reinvestigated. • The true equilibrium was achieved with the two-way approach. • The critical point of the miscibility gap lie at 58 at.% Rh and 820 °C. - Abstract: The Pd-Rh phase diagram has been reinvestigated in the subsolidus region using X-ray diffraction, scanning and transmission electron microscopy. The true equilibrium at the miscibility boundary was achieved with the two-way approach. Nanosized powders of metastable solid solutions and two-phase palladium-rhodium mixtures were used to shorten the time required to equilibrate the system. The initial samples were prepared by decomposition of coordination compounds [Pd(NH{sub 3}){sub 2}Cl{sub 2}], [Rh(NH{sub 3}){sub 5}Cl]Cl{sub 2}, [Pd(NH{sub 3}){sub 4}]{sub 3}[Rh(NO{sub 2}){sub 6}]{sub 2} and [Pd(NH{sub 3}){sub 4}][Rh(NH{sub 3})(NO{sub 2}){sub 5}]. The obtained phase diagram exhibits miscibility gap wider than generally accepted with the critical point of solubility at 58 at.% Rh and 820 °C.

  18. Synthesis of New Polyether Ether Ketone Derivatives with Silver Binding Site and Coordination Compounds of Their Monomers with Different Silver Salts

    Directory of Open Access Journals (Sweden)

    Jérôme Girard

    2016-05-01

    Full Text Available Polyether ether ketone (PEEK is a well-known polymer used for implants and devices, especially spinal ones. To overcome the biomaterial related infection risks, 4-4′-difluorobenzophenone, the famous PEEK monomer, was modified in order to introduce binding sites for silver ions, which are well known for their antimicrobial activity. The complexation of these new monomers with different silver salts was studied. Crystal structures of different intermediates were obtained with a linear coordination between two pyridine groups and the silver ions in all cases. The mechanical and thermal properties of different new polymers were characterized. The synthesized PEEKN5 polymers showed similar properties than the PEEK ones whereas the PEEKN7 polymers showed similar thermal properties but the mechanical properties are not as good as the ones of PEEK. To improve these properties, these polymers were complexed with silver nitrate in order to “cross-link” with silver ions. The presence of ionic silver in the polymer was then confirmed by thermogravimetric analysis (TGA and X-ray powder diffraction (XRPD. Finally, a silver-based antimicrobial compound was successfully coated on the surface of PEEKN5.

  19. Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

    Science.gov (United States)

    Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

    2015-02-02

    Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed.

  20. 2,6-Bis(2,6-diethylphenyliminomethyl)pyridine coordination compounds with cobalt(II), nickel(II), copper(II), and zinc(II): synthesis, spectroscopic characterization, X-ray study and in vitro cytotoxicity.

    Science.gov (United States)

    Martinez-Bulit, Pablo; Garza-Ortíz, Ariadna; Mijangos, Edgar; Barrón-Sosa, Lidia; Sánchez-Bartéz, Francisco; Gracia-Mora, Isabel; Flores-Parra, Angelina; Contreras, Rosalinda; Reedijk, Jan; Barba-Behrens, Norah

    2015-01-01

    Coordination compounds with cobalt(II), nickel(II), copper(II) and zinc(II) and the ligand 2,6-bis(2,6-diethylphenyliminomethyl)pyridine (L) were synthesized and fully characterized by IR and UV-Vis-NIR spectroscopy, elemental analysis, magnetic susceptibility and X-ray diffraction for two representative cases. These novel compounds were designed to study their activity as anti-proliferative drugs against different human cancer cell lines. The tridentate ligand forms heptacoordinated compounds from nitrate metallic salts, where the nitrate acts in a chelating form to complete the seven coordination positions. In vitro cell growth inhibition was measured for Co(II), Cu(II) and Zn(II) complexes, as well as for the free ligand. Upon coordination, the IC50 value of the transition-metal compounds is improved compared to the free ligand. The copper(II) and zinc(II) compounds are the most promising candidates for further in vitro and in vivo studies. The activity against colon and prostate cell lines merits further research, in views of the limited therapeutic options for such cancer types.

  1. Synthesis Characterization and Biological Activities of Coordination Compounds of 4-Hydroxy-3-nitro-2H-chromen-2-one and Its Aminoethanoic Acid and Pyrrolidine-2-carboxylic Acid Mixed Ligand Complexes

    Science.gov (United States)

    Akinkunmi, Ezekiel; Obuotor, Efere; Olawuni, Idowu; Isabirye, David; Jordaan, Johan

    2017-01-01

    Coordination compounds of 4-hydroxy-3-nitro-2H-chromen-2-one and their mixed ligand complexes with aminoethanoic acid and pyrrolidine-2-carboxylic acid were synthesized by the reaction of Cu(II) and Zn(II) salts in molar ratio 1 : 2 for the coumarin complexes and 1 : 1 : 1 for the mixed ligand complexes, in basic media. The compounds formed were characterized using infrared, Uv-vis spectrophotometric analyses, mass spectrometry, magnetic susceptibility measurements, and EDX analyses. It was concluded that 4-hydroxy-3-nitro-2H-chromen-2-one coordinated as a monobasic ligand for all the complexes; it also coordinated via the carbonyl moiety in the case of the Cu(II) mixed ligand complexes. Similarly it was proposed that the amino acids also coordinated in a bidentate fashion via their amino nitrogen and carboxylate oxygen atoms. The synthesized compounds were screened for their antimicrobial and cytotoxic activities. The complexes exhibited marginal antimicrobial activity but good cytotoxic activity. PMID:28270743

  2. 低分子量壳聚糖及其衍生物与金属离子配合物研究%Coordination Compounds of Metal Ions with Low-molecular Weight Chitosan and Their Derivative

    Institute of Scientific and Technical Information of China (English)

    丁德润

    2005-01-01

    Chitosan(CTS) of molecular weight 3 × 106 was degraded by oxidation with H2O2. The molecular weight of degraded chitosan (CTS′) was between 5 500-6 000. Through the reaction of degraded chitosan with glyoxylic acid and sodium borohydride, the modified derivative of N-Carboxymethyl degraded chitosan (NCTS′) was obtained. The metal ions of Fe(Ⅱ), Ni(Ⅱ), Cu(Ⅱ) and Cr(Ⅲ) were coordinated at different conditions by degraded chitosan(CTS′→ M(Ⅱ)) and its derivative (NCTS′→ M(Ⅱ))). These coordination compounds were characterized with UV and IR spectroscopy.

  3. Photocatalytic Degradation of Rhodamine B by Metal Coordination Compounds%金属配位化合物光催化降解罗丹明 B

    Institute of Scientific and Technical Information of China (English)

    吴震宇; 刘宁宁

    2016-01-01

    当今世界的水污染日益严重、水资源逐渐匮乏,因此开发出利用太阳光能降解水中有机污染物的催化剂是当前研究的热点之一。以金属配位化合物为光催化剂,在可见光的照射下,研究了其对有机染料罗丹明 B 的光催化降解作用。结果表明,当罗丹明 B 水溶液的浓度为1×10-5 mol/L、罗丹明 B 水溶液的体积为80 mL、催化剂质量为0.02 g、反应温度为25℃、可见光功率为300 W、照射时间为120 min 时,Co(en)3 Cl3对罗丹明 B 的降解率为87%,Ni(en)3 Cl2对罗丹明 B 的降解率为2%,Ni(dien)2 Cl2对罗丹明 B 的降解率为8%。因此,Co(en)3 Cl3是性能良好的光催化剂。%Nowadays,the increasingly serious phenomenon of water pollution and the gradual shortage of water resources have been addressed more attentions all over the world.Developing effective catalyst for the degradation of organic pollutants in the water by using solar energy is one of the hot research topic currently.In this paper,the photocatalytic degradation of organic dye rhodamine B under visible light irradiation was studied by using metal coordination compounds as photocatalyst.The results show that the degradation rate of rhodamine B by Co(en)3 Cl3 reach 87%,the degradation rate of rhodamine B by Ni(en)3 Cl2 reach 2%,the degradation rate of rhodamine B by Ni (dien)2 Cl2 reach 2%,under the condition of rhodamine B aqueous solution (1×10 -5 mol/L)80 mL,catalyst dosage 0.02 g,reaction temperature 25 ℃,300 W visible light irradiation for 120 min.Thus,Co(en)3 Cl3 is a good photocatalyst.

  4. Preparation of zinc coordination compound and its catalytic performance in esterification of ethylene oxide%锌配合物的制备及对环氧乙烷酯化反应的催化性能

    Institute of Scientific and Technical Information of China (English)

    王浩; 刘定华; 刘晓勤

    2012-01-01

    以ZnBr2和四乙基溴化铵(Et4NBr)为原料,通过溶剂热法配位制备了锌配合物催化剂,研究了反应溶剂、加料方式、原料摩尔比、反应时间和反应温度对锌配合物制备收率的影响.较优的制备工艺条件为:乙醇为溶剂、采用反滴加料、n(Zn)∶n(N)=1∶2、制备温度为50℃、反应时间为0.5h,锌配合物的收率达92.30%.采用X线衍射(XRD)、傅里叶红外光谱(FT-IR)、元素分析(EA)和发射光谱仪(ICP - AES)对锌配合物进行表征.结果表明:不同原料摩尔比制备的锌配合物是不同于原料的新物质,推断出锌配合物的化学式为( Et4N)2ZnBr4.另外,初步探索了锌配合物对环氧乙烷酯化反应的催化性能.结果表明:锌配合物催化剂具有优良的活性,环氧乙烷转化率达95.6%,副产二乙二醇(DEG)选择性不大于1.72%,循环使用5次后催化剂活性无明显下降.%A zinc coordination compound was prepared from tetraethylammonium bromide (Et4NBr) with zinc bromide in ethanol solution. The effects on the yield of coordination compound were investigated. The yield of zinc coordination compound of 92. 3% was obtained under the following optimal conditions; ethanol as solvent, anti-drop for feeding, n ( Zn ) : n( N ) molar ratio of 1: 2 , reaction time of 0. 5 h, temperature of 50 ℃. The zinc coordination compound was characterized with X-ray diffraction ( XRD) ,fourier transform infrared spectroscopy ( FT - IR ) , elemental analysis (EA) and emission spectrometry ( ICP-AES ) . It was indicated that the obtained compound was a new one with the concluded molecular formula of ( Et4N)2ZnBr4. The catalytic performances by the zinc coordination compound for esterification of ethylene oxide (EO) were investigated. Results showed that zinc coordination compound had better activity, the conversion of EO could reach 95. 6% , while selectivity of dithylene glycol was less than 1. 72% . Cata-lytic activity was not decreased obviously

  5. Metal coordination chemistry: removal and recovery of metal compounds from heavy crude and shale oils with multidentate ligands. Annual report, October 1981-October 1982

    Energy Technology Data Exchange (ETDEWEB)

    Fish, R.H.

    1982-01-01

    The separation and identification by HPLC-GFAA analysis of organic and organoarsenic compounds occurring in oil shale retort and process waters, shale oils and Green River Formation oil shale are described in this report. The molecular characterization of these compounds has given new insight into developing innovative methods for their removal from oil shale retorting products. Catechol (1,2-dihydrocylbenzene) derivatives of both inorganic and organoarsenic compounds may in fact provide the means by which these compounds can be successfully removed from the above mentioned retort products. In addition to model compounds experiments with catechols and characterized inorganic arsenic and organoarsenic compounds, we have also synthesized a polymer that was modified with catechol and are in the process of determining its reactivity with the characterized arsenic compounds. Progress in preparing these catechol-bonded polymers is discussed. In a complimentary study, we have performed molecular characterizations and profile identifications of vanadyl porphyrin and non-porphyrin complexes in various heavy crude petroleums and their asphaltenes by HPLC-GFAA analysis. Results are discussed. (DMC)

  6. New synthetic pathways to the preparation of near-blue emitting heteroleptic Ir(III) N-6 coordinated compounds with microsecond lifetimes

    NARCIS (Netherlands)

    Soman, Suraj; Manton, Jennifer C.; Inglis, Jane L.; Halpin, Yvonne; Twamley, Brendan; Otten, Edwin; Browne, Wesley R.; De Cola, Luisa; Vos, Johannes G.; Pryce, Mary T.

    2014-01-01

    A high yield synthetic route for the preparation of N-6 coordinated heteroleptic Ir(III) complexes using bidentate polypyridyl type ligands is described. The complexes are near-blue emitters and showmicrosecond emission lifetimes, high emission quantum yields and have two quasi-reversible reduction

  7. Crystal structure and infrared spectra of a lanthanum coordination compound with glycine, [La(Gly)s{center_dot}2H{sub 2}O]{center_dot}(ClO{sub 4}){sub 3}{sub n}

    Energy Technology Data Exchange (ETDEWEB)

    Ma Aizeng; Li Laiming; Lin Yonghua; Xi Shiquan [Changchun Institute of Applied Chemistry, Jilin (China)

    1994-12-31

    A lanthanum coordination compound with glycine [La(Gly){sub 3}{center_dot}2H{sub 2}O]{center_dot}(ClO{sub 4}){sub 3}{sub n} (Gly = NH{sup +}{sub 3}-CH{sub 2}-COO{sup -}) was synthesized and obtained in the form of single crystals. Its X-ray crystal structure has been determined and the IR spectrum has been studied. Crystallographic data for the compound are Mr = 698.6, triclinic, space group Pi, with a = 10.730(4), b = 12.958(4), c = 8.806(3) {angstrom}, a = 97, 10(2), {beta} = 113.05(3), {gamma} = 71.52(3), V = 1068.55 (0.67) {angstrom}{sup s}, Z = 2; D{sub calc} = 2.17 cm{sup -3}, {mu} = 25.1 cm{sup -1}; T = 298K; {lambda}(MoKa) = 0.71069 {angstrom}, 2 {theta}{sub max} = 60.0{degrees}. Final R = 0.055 for 5554 observed reflections with I>3{sigma} (I). Glycine molecules coordinate with lanthanum atoms through alternate {open_quotes}two-four glycine molecules coordinate to lanthanum atoms as bridging bidentates ligands and the others as bridging-chelating terdenate ligands. The IR spectrum of the compound is compared with that of ([Sm{sub 2}(Gly){sub 6}{center_dot}4H{sub 2}O]{center_dot}(ClO{sub 4}){sub 6}{center_dot}5H{sub 2}O){sub n}. Differences in their IR spectra indicate differences of structures. 18 refs., 4 figs., 4 tabs.

  8. The assembly of two isomorphous coordination compounds based on 1,4-cyclohexanedicarboxylic acid and 2,4-diamino-6-phenyl-1,3,5-triazine

    Science.gov (United States)

    Li, Xue-Fei; Wang, Xiao; Lun, Hui-Jie; Jin, Lin-Yu; Li, Ya-Min; Yang, Jing-He

    2017-02-01

    The compounds [Co(e,a-cis-1,4-chdc)(phdat)]n (1) and [Cd(e,a-cis-1,4-chdc)(phdat)]n (2) have been synthesized under hydrothermal method by using 1,4-cyclohexanedicarboxylic acid (1,4-H2chdc), 2,4-diamino-6-phenyl-1,3,5-triazine (phdat) as well as CoCl2·6H2O, CdCl2·2.5H2O respectively and characterized by IR spectra, X-ray single-crystal diffraction, powder X-ray single-crystal diffraction (PXRD), elemental analyses and thermogravimetric analyses (TGA). The results show the compounds 1 and 2 are isomorphous and exhibit paddle-wheel dinuclear Co2(CO2)4/Cd2(CO2)4 units, which are further connected to 1D chain structures by μ4:η1:η1:η1:η1 1,4-chdc2- ligands and extended into a 3D structures via different hydrogen bonding and π…π stacking interactions. Furthermore, compound 1 exhibits antiferromagnetic behavior and compound 2 displays luminescent behavior at solid state.

  9. The effect of [Co(DH2(An2]2[TiF6]∙3H2O coordination compound on polypeptide spectrum of amylolytic preparation from Aspergillus niger 33-19 CNMN FD 02A strain

    Directory of Open Access Journals (Sweden)

    Alexandra CILOCI

    2012-11-01

    Full Text Available From mycelial fungus Aspergillus niger 33-19 CNMN FD 02A cultivated on nutrient medium supplemented with [Co(DH2(An2]2[TiF6]∙3H2O coordination compound amylolytic preparation with total α-amylase activity of 40042U/g and a specific activity of 131.3U/mg proteins was obtained. Through gel filtration and ion exchange chromatography enzyme preparation was purified 7.8 fold with a yield of 13%. SDS-PAGE electrophoresis of purified α-amylase revealed 2 polypeptide bands of 66 and 40.5kDa identified as α-amylase isomorphs similar to previously obtained results on Aspergillus niger grown without any coordination compounds. [Co(DH2(An2]2[TiF6]∙3H2O increase the activity of non-purified amylolytic preparation, most likely due to the bonds formed between metal complex and some α-amylase radicals.

  10. Antimicrobial Activity of Co(II, Ni(II and Cu(II Coordination Compounds with Nitrogen, Oxygen Containing Schiff Base

    Directory of Open Access Journals (Sweden)

    B. K. RAI

    2013-06-01

    Full Text Available A series of complexes of the type [M(EHPQH2X2] where M = Co(II, Ni(II and Cu(II, EHPQH=2-ethyl, [3(hydroxypropyl]-3, 1 4H quinazoline -4-hydrazone, X= Cl-, Br-, I- and No-3 -. The geometry of the complexes have been elucidated in the light of molar mass, elemental analysis, IR, electronic Spectra, molar conductance and magnetic susceptibility. The measured molar conductance value indicates that the complexes are nonelectrolytic in nature. The above observation indicates that Schiff bases EHPQH behave as bidentate ligand and coordination proposes through azomethine N and oxygen atom of alcoholic group of ligand. The remaining coordination sites are satisfied by negative ion such as Ci-, Br-, I- and NB-. The geometry of the Co(II and Ni(II were proposed to be octahedral in geometry whereas Cu(II complexes were proposed to be distorted octahedral. The Schiff bases and its complexes have been evaluated for their antibacterial activity. The complexes show enhanced antibacterial activity than ligand.

  11. Synthesis, Crystal Structure and Spectrum Properties of Trinuclear Manganese Coordination Compound Mn3(2,2'-bipy)e(3,5-DMBA)6%Synthesis, Crystal Structure and Spectrum Properties of Trinuclear Manganese Coordination Compound Mn3(2,2'-bipy)e(3,5-DMBA)6

    Institute of Scientific and Technical Information of China (English)

    LI Wei; LI Chang-Hong; LI Yu-Lin; ZHANG Chun-Hua

    2012-01-01

    A novel complex Mn3(2,2'-bipy)ff3,5-DMBA)6 with 3,5-dimethylbenzoic acid (3,5-DMBA) and 2,2'-bipyridine (2,2'-bipy) has been synthesized by means of a solvent method. It crystallizes in the monoclinic space group C2/c with a = 3.1118(6), b = 1.1754(2), c = 2.0887(4) nm, β = 118.50(3)°, V= 6.714(2) nm3, Dc = 1.384 g/cm3, Z = 8, F(000) = 2912, the final GOOF = 1.078, R = 0.0691 and wR = 0.1455. The crystal structure shows that the three coordinated manganese(II) ions lie in a line with the middle one as the symmetric center. The distance between the central manganese(II) and the symmetric one is 0.3549 nm. There exist two coordination modes for the three manganese (II) ions: the symmetric manganese(II) ions are coordinated with three oxygen atoms and two nitrogen atoms from three 3,5-DMBA molecules and one 2,2'-bipy molecule, respectively, forming a distorted square-pyramidal coordination geometry; the middle manganese(II) ion is coordinated with six oxygen atoms from six 3,5-DMBA molecules, generating a distorted octahedral coordination geometry. Spectrum properties of the complex were also studied.

  12. Synthetic, structural and antifungal studies of coordination compounds of Ru(III, Rh(III and Ir(III with tetradentate Schiff bases

    Directory of Open Access Journals (Sweden)

    ANKITA SRIVASTAVA

    2006-09-01

    Full Text Available A series of octahedral Ru(III, Rh(III and Ir(III complexes have been prepared with tetradentate Schiff bases derived by condensing isatin with 1,2-diaminoethane, 1,3-diaminopropane, 1,4-diaminobutane, 1,2-diaminobenzene and 1,3-diaminobenzene. The obtained complexes were characterized on the basis of their elemental analyses, magnetic moment, conductance, IR, electronic, 1HNMR and FAB mass spectra, as well as thermal analyses. The Ru(III complexes are low spin paramagnetic, while Rh(III and Ir(III behave as diamagnetic complexes. The IR spectral data revealed that all the Schiff bases behave as tetradentate and are coordinated to Ru(III, Rh(III and Ir(III via nitrogen and oxygen. Antifungal studies of the ligands as well as their complexes were carried out by the agar plate method.

  13. Selenium-platinum coordination compounds as novel anticancer drugs: selectively killing cancer cells via a reactive oxygen species (ROS)-mediated apoptosis route.

    Science.gov (United States)

    Zeng, Lingwu; Li, Yang; Li, Tianyu; Cao, Wei; Yi, Yu; Geng, Weijia; Sun, Zhiwei; Xu, Huaping

    2014-08-01

    We report the preparation of selenium-containing platinum-based anticancer drug EG-Se/Pt. EG-Se/Pt was obtained from the coordination of selenium-containing molecules (EG-Se) with cisplatin (CDDP). The structure of EG-Se/Pt was characterized by (1) H and (77) Se NMR spectroscopy, XPS, ESI-MS, and MALDI-TOF. In aqueous solution, EG-Se/Pt self-assembles to form spherical aggregates. EG-Se/Pt shows enhanced stability against dilution and high salt concentration compared with EG-Se. EG-Se/Pt induces cell apoptosis via reactive oxygen species (ROS), which leads to high selectivity between cancer cells and normal cells in cytotoxicity assays. More importantly, EG-Se/Pt effectively inhibits tumor growth in vivo in tumor-bearing mice. It is anticipated that tuning the ROS level through the assembly of selenium-containing molecules can be a general method to realize anticancer selectivity.

  14. Chemical Principles Revisited: Some Aspects of Coordination Chemistry.

    Science.gov (United States)

    Mickey, Charles D.

    1981-01-01

    Reviews characteristics of coordination chemistry, the study of coordination compounds, a major focal point for the inorganic chemist. Provides a brief history regarding the Wernerian System and background information in modern coordination theory. (CS)

  15. Some new nano-structure zinc(II) coordination compounds of an imidazolidine Schiff base: Spectral, thermal, antimicrobial properties and DNA interaction

    Science.gov (United States)

    Montazerozohori, Morteza; Musavi, Sayed Alireza; Naghiha, Asghar; Zohour, Mostafa Montazer

    2014-08-01

    Some novel nano-sized structure zinc complexes of a new Schiff base ligand entitled as (3-nitro-benzylidene)-{2-[2-(3-nitro-phenyl)-imidazolidine-1-yl]-ethyl}-amine(L) with general formula of ZnLX2 wherein X = Cl-, Br-, I-, SCN- and N3- have been synthesized under ultrasonic conditions. The ligand and its complexes have been characterized by elemental analysis, molar conductance measurements, FT-IR, 1H and 13C NMR and UV-Visible spectroscopy. The resulting data from spectral investigation especially 1H and 13C NMR well confirmed formation of an imidazolidine ring in the ligand structure. Transmission electron microscopy (TEM) showed nano-size structures with average particle sizes of 21.80-78.10 nm for the zinc(II) Schiff base complexes. The free Schiff base and its Zn(II) complexes have been screened in vitro both for antibacterial activity against some gram-positive and gram-negative bacteria and also for antifungal activity. The metal complexes were found to be more active than the free Schiff base ligand. The results showed that ZnL(N3)2 is the most effective inhibitor against Escherichia coli, Pseudomonas aereuguinosa, Staphylococcus aureus and Candida albicans while ZnLBr2 was found to be more effective against Bacillus subtillis than other compounds. Moreover, DNA cleavage potential of all compounds with plasmid DNA was investigated. The results showed that the ligand and ZnLCl2 complex cleave DNA more efficiently than others. In final, thermal analysis of ligand and its complexes revealed that they are decomposed via 2-3 thermal steps in the range of room temperature to 1000 °C. Furthermore some activation kinetic parameters such as A, E*, ΔH*, ΔS* and ΔG* were calculated based on TG/DTA plots by use of coats - Redfern relation. Positive values of activation energy evaluated for the compounds confirmed the thermal stability of them. In addition to, the positive ΔH*, and ΔG* values suggested endothermic character for the thermal decomposition steps.

  16. Three new three-dimensional organic-inorganic hybrid compounds based on PMo12O40(n-) (n = 3 or 4) polyanions and Cu(I)-pyrazine/Cu(I)-pyrazine-Cl porous coordination polymers.

    Science.gov (United States)

    Qi, Ming-Li; Yu, Kai; Su, Zhan-Hua; Wang, Chun-Xiao; Wang, Chun-Mei; Zhou, Bai-Bin; Zhu, Chun-Cheng

    2013-06-07

    Three new organic-inorganic hybrid compounds based on PMo12O40(n-) (n = 3 or 4) polyanions and Cu(I)-pz/Cu(I)-pz-Cl porous coordination polymers: [Cu(I)(pz)]3[PMo(VI)12O40] (1), [Cu(I)(pz)1.5]4[PMo(V)Mo(VI)11O40]·pz·2H2O (2), [Cu(I)3(pz)3Cl][Cu(I)2(pz)3(H2O)][PMo(V)Mo(VI)11O40] (3) (pz = pyrazine) have been hydrothermally prepared and characterized by elemental analysis, IR, TG, XRD, XPS and single-crystal X-ray diffraction. Compound 1 presents a three-dimensional Cu(I)-pz framework with cube-like chambers, into which PMo(VI)12O40(3-) Keggin ions are incorporated. Compound 2 shows a three-dimensional sandwich-like framework, and PMo(V)Mo(VI)11O40(4-) polyanions are located in the octagonal voids of every two-dimensional Cu(I)-pz 4(1)8(2) network structure. Compound 3 exhibits a two-dimensional Cl-bridged Cu(I)-pz-Cl double-layer structure, and two kinds of PMo(V)Mo(VI)11O40(4-) polyanions as bridging linkers connect two adjacent double-layers to form a three-dimensional organic-inorganic framework through Cu(I)-O bonds. Additionally, their electrochemical characters, electrocatalytic behaviors and solid state fluorescent properties at room temperature have been investigated in detail.

  17. 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.

  18. Structural and antimicrobial studies of coordination compounds of VO(II, Co(II, Ni(II and Cu(II with some Schiff bases involving 2-amino-4-chlorophenol

    Directory of Open Access Journals (Sweden)

    A. P. MISHRA

    2009-05-01

    Full Text Available Complexes of tailor-made ligands with life essential metal ions may be an emerging area to answer the problem of multi-drug resistance (MDR. The coordination complexes of VO(II, Co(II, Ni(II and Cu(II with the Schiff bases derived from 2-hydroxyacetophenone/2-chlorobenzaldehyde with 2-ami¬no-4-chlorophenol were synthesized and characterized by elemental analysis, molar conductance, electronic spectra, FT-IR, ESR, FAB mass, thermal and magnetic susceptibility measurements. The FAB mass and thermal data show degradation of the complexes. The ligand A (2-hydroxyacetophenone-2amino-4-chlorophenol behaved as tridentate and ligand B (2-chlorobenzylidene-2-amino-4-chlorophenol as bidentate, coordinating through O and N donors. The complexes [VO(A(H2O]×xH2O, [M(A(H2On]×xH2O for Co and Ni, [Cu(A(H2O] and [VO(B2]×xH2O, [M(B2(H2On] for Co and Cu and [Ni(B2] exhibited coordination numbers 4, 5 or 6. X-ray powder diffraction data (a = 11.00417 Å, b = 11.706081 Å and c = 54.46780 Å showed that [Cu(CACP2(H2O2], complex 8, crystallized in the orthorhombic system. The in vitro biological screening effects of the investigated compounds were tested against the bacteria Escherichia coli, Staphylococcus aureus and Streptococcus fecalis and the fungi Aspergillus niger, Trichoderma polysporum and Candida albicans by the serial dilution method. A comparative study of the MIC values of the Schiff base and their [M(B2(H2O2] complexes (Co(II, complex 6 and Cu(II, complex 8, indicated that the metal complexes exhibited a higher or lower antimicrobial activity than 2-chlorobenzylidene-2-amino-4-chlorophenol as the free ligand (B.

  19. Coordinated regulation of nitrogen supply mode and initial cell density for energy storage compounds production with economized nitrogen utilization in a marine microalga Isochrysis zhangjiangensis.

    Science.gov (United States)

    Chi, Lei; Yao, Changhong; Cao, Xupeng; Xue, Song

    2016-01-01

    Lipids and carbohydrates are main energy storage compounds (ESC) of microalgae under stressed conditions and they are potential feedstock for biofuel production. Yet, the sustainable and commercially successful production of ESC in microalgae needs to consider nitrogen utilization efficiency. Here the impact of different initial cell densities (ICDs) on ESC accumulation in Isochrysis zhangjiangensis under two nitrogen supply modes (an initially equal concentration of nitrogen per-cell in the medium (N1) and an equal total concentration of nitrogen in the culture system (N2)) were investigated. The results demonstrated that the highest ESC yield (1.36gL(-1)) at N1, which included a maximal nitrogen supply in the cultivation system, and the highest ESC content (66.5%) and ESC productivity per mass of nitrogen (3.28gg(-1) (N) day(-1)) at N2, were all obtained under a high ICD of 8.0×10(6)cellsmL(-1). Therefore I. zhangjiangensis qualifies for ESC-enriched biomass production with economized nitrogen utilization.

  20. Molecular alloys, linking organometallics with intermetallic Hume-Rothery phases: the highly coordinated transition metal compounds [M(ZnR)(n)] (n >or= 8) containing organo-zinc ligands.

    Science.gov (United States)

    Cadenbach, Thomas; Bollermann, Timo; Gemel, Christian; Tombul, Mustafa; Fernandez, Israel; von Hopffgarten, Moritz; Frenking, Gernot; Fischer, Roland A

    2009-11-11

    This paper presents the preparation, characterization and bonding analyses of the closed shell 18 electron compounds [M(ZnR)(n)] (M = Mo, Ru, Rh, Ni, Pd, Pt, n = 8-12), which feature covalent bonds between n one-electron organo-zinc ligands ZnR (R = Me, Et, eta(5)-C(5)(CH(3))(5) = Cp*) and the central metal M. The compounds were obtained in high isolated yields (>80%) by treatment of appropriate GaCp* containing transition metal precursors 13-18, namely [Mo(GaCp*)(6)], [Ru(2)(Ga)(GaCp*)(7)(H)(3)] or [Ru(GaCp*)(6)(Cl)(2)], [(Cp*Ga)(4)RhGa(eta(1)-Cp*)Me] and [M(GaCp*)(4)] (M = Ni, Pd, Pt) with ZnMe(2) or ZnEt(2) in toluene solution at elevated temperatures of 80-110 degrees C within a few hours of reaction time. Analytical characterization was done by elemental analyses (C, H, Zn, Ga), (1)H and (13)C NMR spectroscopy. The molecular structures were determined by single crystal X-ray diffraction. The coordination environment of the central metal M and the M-Zn and Zn-Zn distances mimic the situation in known solid state M/Zn Hume-Rothery phases. DFT calculations at the RI-BP86/def2-TZVPP and BP86/TZ2P+ levels of theory, AIM and EDA analyses were done with [M(ZnH)(n)] (M = Mo, Ru, Rh, Pd; n = 12, 10, 9, 8) as models of the homologous series. The results reveal that the molecules can be compared to 18 electron gold clusters of the type M@Au(n), that is, W@Au(12), but are neither genuine coordination compounds nor interstitial cage clusters. The molecules are held together by strong radial M-Zn bonds. The tangential Zn-Zn interactions are generally very weak and the (ZnH)(n) cages are not stable without the central metal M.

  1. Late First-Row Transition-Metal Complexes Containing a 2-Pyridylmethyl Pendant-Armed 15-Membered Macrocyclic Ligand. Field-Induced Slow Magnetic Relaxation in a Seven-Coordinate Cobalt(II) Compound.

    Science.gov (United States)

    Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk

    2016-06-20

    The 2-pyridylmethyl N-pendant-armed heptadentate macrocyclic ligand {3,12-bis(2-methylpyridine)-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca-1,14,16-triene = L} and [M(L)](ClO4)2 complexes, where M = Mn(II) (1), Fe(II) (2), Co(II) (3), Ni(II) (4), and Cu(II) (5), were prepared and thoroughly characterized, including elucidation of X-ray structures of all the compounds studied. The complexes 1-5 crystallize in non-centrosymmetric Sohncke space groups as racemic compounds. The coordination numbers of 7, 6 + 1, and 5 were found in complexes 1-3, 4, and 5, respectively, with a distorted pentagonal bipyramidal (1-4) or square pyramidal (5) geometry. On the basis of the magnetic susceptibility experiments, a large axial zero-field splitting (ZFS) was found for 2, 3, and 4 (D(Fe) = -7.4(2) cm(-1), D(Co) = 34(1) cm(-1), and D(Ni) = -12.8(1) cm(-1), respectively) together with a rhombic ZFS (E/D = 0.136(3)) for 4. Despite the easy plane anisotropy (D > 0, E/D = 0) in 3, the slow relaxation of the magnetization below 8 K was observed and analyzed either with Orbach relaxation mechanism (the relaxation time τ0 = 9.90 × 10(-10) s and spin reversal barrier Ueff = 24.3 K (16.9 cm(-1))) or with Raman relaxation mechanism (C = 2.12 × 10(-5) and n = 2.84). Therefore, compound 3 enlarges the small family of field-induced single-molecule magnets with pentagonal-bipyramidal chromophore. The cyclic voltammetry in acetonitrile revealed reversible redox processes in 1-3 and 5, except for the Ni(II) complex 4, where a quasi-reversible process was dominantly observed. Presence of the two 2-pyridylmethyl pendant arms in L with a stronger σ-donor/π-acceptor ability had a great impact on the properties of all the complexes (1-5), concretely: (i) strong pyridine-metal bonds provided slight axial compression of the coordination sphere, (ii) substantial changes in magnetic anisotropy, and (iii) stabilization of lower oxidation states.

  2. Coordination compounds of dimethylethyleneurea with Zn(II), Cd(II) and Hg(II) halides: synthesis, characterization and thermochemistry; Compostos de coordenacao entre a dimetiletilenoureia e haletos de Zn(II), Cd(II) e Hg(II): sintese, caracterizacao e termoquimica

    Energy Technology Data Exchange (ETDEWEB)

    Farias, Robson Fernandes de [Roraima Univ., Boa Vista, RR (Brazil). Dept. de Quimica; Oliveira, Otom Anselmo de [Rio Grande do Norte Univ., Natal, RN (Brazil). Dept. de Quimica

    1996-03-01

    1.3-dimethyl-2-imidazolidinone (dimethylethyleneurea - DMEU), a relatively new non-aqueous solvent of high polarity, was used as ligand in the preparation of nine coordination compounds with some zinc group halides. The compounds were characterized by elemental analysis, IR TGA, DTA and DSC. The metal-oxggen bond enthalpies were estimated, as well another thermochemical parameters. (author) 34 refs., 5 figs., 4 tabs.

  3. Platinum(IV) coordination compounds containing 5-methyl-1,2,4-triazolo[1,5- a]pyrimidin-7(4 H)-one as nonleaving ligand. Molecular and cytotoxicity in vitro characterization

    Science.gov (United States)

    Łakomska, Iwona; Fandzloch, Marzena; Wojtczak, Andrzej; Szłyk, Edward

    2011-08-01

    Novel platinum(IV) coordination compounds with 5-methyl-1,2,4-triazolo[1,5- a]pyrimidin-7(4 H)-one (HmtpO): cis- trans-[PtCl 2(OH) 2(NH 3)(HmtpO)] ( 1), cis- trans-[PtCl 5(HmtpO)][(CH 3) 2NH 2] ( 2) have been prepared and structurally characterized by spectroscopic methods ( 1H, IR and X-ray crystallography ( 2)). The X-ray results indicate that the local geometry around the platinum(IV) centre approximates a typical octahedral arrangement with nitrogen atom N3 of the HmtpO and three chloride atoms in equatorial positions. The remaining two axial positions are occupied by two chlorides. The preliminary assessment of antitumor properties of ( 1) was performed as an in vitro antiproliferative activity against HL-60 human acute promyelocytic leukemia and HCV29T bladder cancer. The cis- trans-[PtCl 2(OH) 2(NH 3)(HmtpO)] ( 1) exhibits higher cytotoxic activity against HL-60 (IC 50 = 6.4 μM) than cisplatin.

  4. 含农药配体的铜配合物的合成与介电性质%Synthesis and Dielectric Properties of Copper(Ⅱ) Coordination Compound with Organic Pesticide as Ligand

    Institute of Scientific and Technical Information of China (English)

    钱坤; 金杨波; 李永绣

    2006-01-01

    The hydrothermal treatment of 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CDTO) with Cu (OAc)2·4H2O in the presence of methanol as solvent offers a molecular coordination compound [Cu(CDTO)2(OAc)2] (1), whose dielectric physical properties has been investigated. Crystal data for 1: Triclinic,P1, a=0.859 06(10) nm, b=1.053 11(13) nm, c=1.202 96(14) nm. α=111.540(2)°, β=108.899(2)°, γ=196.249(3)°.V=0.925 09(19) nm3, Z=1, 3 579 unique data (θmax=25.99°), R=0.053 9 (2 888 [I≥2σ(Ⅰ)] reflections), wR=O.154 1(all data), ρmax=0.55 e·nm-3. CCDC: 605591.

  5. Synthesis, characterization and a thermal (TG-DSC study of gadolinium and lutetium methanesulfonate coordination compounds with pyridine-N-oxide and 2-, 3- and 4-picoline-N-oxides

    Directory of Open Access Journals (Sweden)

    MARIADE F. V. DEMOURA

    2005-09-01

    Full Text Available The synthesis, characterization and a thermal (TG and DSC study of the coordination compounds Gd(MS3·(py-NO2, Gd(MS3·(2-picNO2, Gd(MS3·(3-picNO2, Gd(MS3·(4-picNO2, Lu(MS3·(py-NO2·2H2O, Lu(MS3·(2-picNO1.5·H2O, Lu(MS3·(3-picNO and Lu(MS3·(4-picNO2 are reported (MS = methanesulfonate, py-NO = pyridine-N-oxide, 2-picNO, 3-picNo and 4-picNO are 2-, 3- and 4-picoline-N-oxides, respectively. The observed thermal stability trend is: 2-picNO < py-NO < 4-picNO < 3-picNO for Gd and 2-picNO < 4-picNO < 3-picNO < py-NO for Lu. It was shown that the release of ligand molecules (endothermic is followed by the thermal degradation of the ligands (exothermic.

  6. Synthesis, characterization and a thermal (TG-DSC) study of gadolinium and lutetium methanesulfonate coordination compounds with pyridine-N-oxide and 2-, 3- and 4-picoline-N-oxides

    OpenAIRE

    MARIADE F. V. DEMOURA; MATOS, JIVALDO do R.; ROBSON F. DE FARIAS

    2005-01-01

    The synthesis, characterization and a thermal (TG and DSC) study of the coordination compounds Gd(MS)3·(py-NO)2, Gd(MS)3·(2-picNO)2, Gd(MS)3·(3-picNO)2, Gd(MS)3·(4-picNO)2, Lu(MS)3·(py-NO)2·2H2O, Lu(MS)3·(2-picNO)1.5·H2O, Lu(MS)3·(3-picNO) and Lu(MS)3·(4-picNO)2 are reported (MS = methanesulfonate, py-NO = pyridine-N-oxide, 2-picNO, 3-picNo and 4-picNO are 2-, 3- and 4-picoline-N-oxides, respectively). The observed thermal stability trend is: 2-picNO < py-NO < 4-picNO < 3-picNO for Gd and 2-p...

  7. 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 ...

  8. 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...

  9. The Determination of the Calorimetry of the Standard Molar Formation Enthalpy of Coordination Compound of Samarium Chloride with Glycine%量热法测定氯化钐与甘氨酸配合物的标准生成焓

    Institute of Scientific and Technical Information of China (English)

    周传佩; 陈文生; 刘义; 屈松生; 章习哲

    2001-01-01

    The molar dissolution enthalpy of the reactants and the products of the coordination reaction of Samarium Chloride with Glycine have been measured by isoperihol solution calorimetry, the calorimetric solvent is 2mol·L-1 HCl solution. The standard molar reaction enthalpy △,H m (298.2K) is -7. 3381kJ ·mol-1. From the results and other auxiliary quantities, the standard molar enthalpy of formation of the new coordination compound has been calculated to be △Hm(Sm(Gly)3Cl3·3H2O, s,298.2K)= -3631.74kJ·mol-1.

  10. Coordination Capacity

    CERN Document Server

    Cuff, Paul; Cover, Thomas

    2009-01-01

    We develop elements of a theory of cooperation and coordination in networks. Rather than considering a communication network as a means of distributing information, or of reconstructing random processes at remote nodes, we ask what dependence can be established among the nodes given the communication constraints. Specifically, in a network with communication rates between the nodes, we ask what is the set of all achievable joint distributions p(x1, ..., xm) of actions at the nodes on the network. Several networks are solved, including arbitrarily large cascade networks. Distributed cooperation can be the solution to many problems such as distributed games, distributed control, and establishing mutual information bounds on the influence of one part of a physical system on another.

  11. Ellipsoidal analysis of coordination polyhedra

    Science.gov (United States)

    Cumby, James; Attfield, J. Paul

    2017-02-01

    The idea of the coordination polyhedron is essential to understanding chemical structure. Simple polyhedra in crystalline compounds are often deformed due to structural complexity or electronic instabilities so distortion analysis methods are useful. Here we demonstrate that analysis of the minimum bounding ellipsoid of a coordination polyhedron provides a general method for studying distortion, yielding parameters that are sensitive to various orders in metal oxide examples. Ellipsoidal analysis leads to discovery of a general switching of polyhedral distortions at symmetry-disallowed transitions in perovskites that may evidence underlying coordination bistability, and reveals a weak off-centre `d5 effect' for Fe3+ ions that could be exploited in multiferroics. Separating electronic distortions from intrinsic deformations within the low temperature superstructure of magnetite provides new insights into the charge and trimeron orders. Ellipsoidal analysis can be useful for exploring local structure in many materials such as coordination complexes and frameworks, organometallics and organic molecules.

  12. 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...

  13. 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...

  14. Motor coordination: a local hub for coordination.

    Science.gov (United States)

    Calabrese, Ronald L

    2014-03-31

    A local interneuron of a crayfish central pattern generator serves as a hub that integrates ascending and descending coordinating information and passes it on to a local oscillatory microcircuit to coordinate a series of segmental appendages known as swimmerets.

  15. Crystal structure of [NaZn(BTC)(H2O)4]·1.5H2O (BTC = benzene-1,3,5-tri-carb-oxy-l-ate): a heterometallic coordination compound.

    Science.gov (United States)

    Ni, Min; Li, Quanle; Chen, Hao; Li, Shengqing

    2015-07-01

    The title coordination polymer, poly[[μ-aqua-tri-aqua-(μ3-benzene-1,3,5-tri-carboxyl-ato)sodiumzinc] sesquihydrate], {[NaZn(C9H3O6)(H2O)4]·1.5H2O} n , was obtained in ionic liquid microemulsion at room temperture by the reaction of benzene-1,3,5-tri-carb-oxy-lic acid (H3BTC) with Zn(NO3)2·6H2O in the presence of NaOH. The asymmetric unit comprises two Na(+) ions (each located on an inversion centre), one Zn(2+) ion, one BTC ligand, four coordinating water mol-ecules and two solvent water molecules, one of which is disordered about an inversion centre and shows half-occupation. The Zn(2+) cation is five-coordinated by two carboxyl-ate O atoms from two different BTC ligands and three coordinating H2O mol-ecules; the Zn-O bond lengths are in the range 1.975 (2)-2.058 (3) Å. The Na(+) cations are six-coordinated but have different arrangements of the ligands: one is bound to two carboxyl-ate O atoms of two BTC ligands and four O atoms from four coordinating H2O mol-ecules while the other is bound by four carboxyl-ate O atoms from four BTC linkers and two O atoms of coordinating H2O mol-ecules. The completely deprotonated BTC ligand acts as a bridging ligand binding the Zn(2+) atom and Na(+) ions, forming a layered structure extending parallel to (100). An intricate network of O-H⋯O hydrogen bonds is present within and between the layers.

  16. Synthesis and Characterization of a New Coordinative Compound of Cu(II with 1-(3 Bromo, 2 Hydroxy, 4 Methylphenyl- 2-(4 Bromo-Phenyl-Sulphanyl- Etanone

    Directory of Open Access Journals (Sweden)

    Antighin Simona

    2015-07-01

    Full Text Available Continuing the research in the field of complex compounds, the authors present in this paper the synthesis and characterization of a new compound of Cu(II with the ligand 1-(3 bromo, 2 hydroxy, 4 methyl-phenyl-2-(4 bromophenyl- sulphanyl-etanone. Different methods were used, such as chemical elemental analysis, thermal-gravimetry, infrared absorption spectroscopy and electronic spin resonance (ESR. From chemical analysis resulted that the combination ratio ligand-central atom is 2:1. The new compound can also be used for gravimetric determination of Cu(II.

  17. Limitations of Radar Coordinates

    OpenAIRE

    Bini, Donato; Lusanna, Luca; Mashhoon, Bahram

    2004-01-01

    The construction of a radar coordinate system about the world line of an observer is discussed. Radar coordinates for a hyperbolic observer as well as a uniformly rotating observer are described in detail. The utility of the notion of radar distance and the admissibility of radar coordinates are investigated. Our results provide a critical assessment of the physical significance of radar coordinates.

  18. Study on Ionic Organotin Compounds Ⅲ. Synthesis of Five-Coordinated Anionic Tin(Ⅳ) Complexes and Crystal Structure of [ ( i-Pr)2NH2] [ PhSn(μ2-SCH2COO)2

    Institute of Scientific and Technical Information of China (English)

    ZHONG Gui-Yun; SUN Li-Juan; XIE Qing-Lan

    2003-01-01

    @@ The study of ionic organotin compounds is of current attention owing to their diversified molecular structures and wide range of applications, such as biological activities[1 ~3] and as catalysts in organic synthesis. [4] Recently, we synthesized some new ionic organotin compounds by dephenylation reaction. [5] In this paper, we continued to study the reaction of mercaptoacetic acid with phenyltin trichloride in the presence of organic base. The reaction equation was as follows:

  19. Fe(Ⅲ)-草酸盐络合物光解水溶性染料的作用机制研究进展%Research Progress on the Mechanism of Photodegradation Water-soluble Dye by Fe( Ⅲ )-oxalate Coordination Compound

    Institute of Scientific and Technical Information of China (English)

    查意扬; 郑丽平; 颜桂炀; 郑柳萍

    2011-01-01

    Photocatalytic oxidation by Fe( Ifl )-oxalate coordination compound was a usual mehod for treament of dyeing wastewater. Recent years.many researchers developed through extensive and intensive research. They have also obtained some conclusion. The reaction mechanism of photodegradation water-soluble dye by FeCfll )-oxalate coordination compound was summarized in this paper. The development prospect and feasibility of method for treament of dyeing wastewater were also discussed.%草酸铁络合物光催化氧化法是处理染料废水的一种常用方法,近些年来,许多研究者对此方法的应用展开了深入的研究,也取得了一些有意义的成果.本文总结了Fe(Ⅲ)-草酸盐络合物光解水溶性染料的作用机制,并讨论了该方法在染料废水处理领域中的可行性及发展前景.

  20. Coordination Compounds of Strontium. Syntheses, Characterizations, and Crystal Structures of [Sr(u-ONc)(2)(HONc(4))]2 and Sr(5)(u(4)-O)(u(3)-ONep)(4)(u-ONep)(4)(HONep)(solv)(4) (ONc=O(2)CCH(2)CMe(3));Nep=CH(2)CMe(3); solv=tetrahydrofuran or 1-methyl-imida

    Energy Technology Data Exchange (ETDEWEB)

    Boyle, Timothy J.; Tafoya, Cory J.; Scott, Brian L.; Ziller, Joseph W.

    1999-07-21

    The authors have synthesized and characterized two novel Sr compounds: [Sr({mu}-ONc){sub 2}(HONc){sub 4}]{sub 2} (1, ONc = O{sub 2}CCH{sub 2}CMe{sub 3}), and Sr{sub 5}({mu}{sub 4}-O)({mu}{sub 3}-ONep){sub 4}({mu}-ONep){sub 4}(HONep)(solv){sub 4} [ONep = OCH{sub 2}CMe{sub 3}, solv = tetrahydrofuran (THF), 2a; 1-methyl-imidazole (MeIm), (2b)], that demonstrate increased solubility in comparison to the commercially available Sr precursors. The two metal centers of 1 share 4 unidentate bridging {mu}-ONc ligands and complete their octahedral geometry through the coordination of 4 monodentate terminal HONc ligands. The structure arrangement of the central core of 2a and b are identical, wherein 4 octahedral Sr atoms are arranged in a square geometry around a {mu}{sub 4}-O ligand. An additional 7-coordinated Sr atom sits directly atop the {mu}{sub 4}-O to form a square base pyramidal arrangement of the Sr atoms but the apical Sr-O distance is too long to be considered a bond. In solution, compound 1 is disrupted forming a monomer but 2a and b retain their structures.

  1. Movement and Coordination

    Science.gov (United States)

    ... Español Text Size Email Print Share Movement and Coordination Page Content Article Body At this age, your ... level will strengthen his body and develop his coordination. In the months ahead, your child’s running will ...

  2. Developmental coordination disorder

    Science.gov (United States)

    ... page: //medlineplus.gov/ency/article/001533.htm Developmental coordination disorder To use the sharing features on this page, please enable JavaScript. Developmental coordination disorder is a childhood disorder. It leads to ...

  3. Coordination and Cooperation

    OpenAIRE

    Janssen, Maarten

    2003-01-01

    textabstractThis comment makes four related points. First, explaining coordination is different from explaining cooperation. Second, solving the coordination problem is more important for the theory of games than solving the cooperation problem. Third, a version of the Principle of Coordination can be rationalized on individualistic grounds. Finally, psychological game theory should consider how players perceive their gaming situation. ---------------------------------------------------------...

  4. Processing Coordination Ambiguity

    Science.gov (United States)

    Engelhardt, Paul E.; Ferreira, Fernanda

    2010-01-01

    We examined temporarily ambiguous coordination structures such as "put the butter in the bowl and the pan on the towel." Minimal Attachment predicts that the ambiguous noun phrase "the pan" will be interpreted as a noun-phrase coordination structure because it is syntactically simpler than clausal coordination. Constraint-based theories assume…

  5. Processing Coordination Ambiguity

    Science.gov (United States)

    Engelhardt, Paul E.; Ferreira, Fernanda

    2010-01-01

    We examined temporarily ambiguous coordination structures such as "put the butter in the bowl and the pan on the towel." Minimal Attachment predicts that the ambiguous noun phrase "the pan" will be interpreted as a noun-phrase coordination structure because it is syntactically simpler than clausal coordination. Constraint-based…

  6. Coordination and Cooperation

    NARCIS (Netherlands)

    M.C.W. Janssen (Maarten)

    2003-01-01

    textabstractThis comment makes four related points. First, explaining coordination is different from explaining cooperation. Second, solving the coordination problem is more important for the theory of games than solving the cooperation problem. Third, a version of the Principle of Coordination can

  7. Coordination and Cooperation

    NARCIS (Netherlands)

    M.C.W. Janssen (Maarten)

    2003-01-01

    textabstractThis comment makes four related points. First, explaining coordination is different from explaining cooperation. Second, solving the coordination problem is more important for the theory of games than solving the cooperation problem. Third, a version of the Principle of Coordination can

  8. Synthesis and crystal structures of mercury(II) and cadmium(II) coordination compounds using 4‧-(4-pyridyl)-2,2‧:6‧,2‧-terpyridine ligand and their thermolysis to nanometal oxides

    Science.gov (United States)

    Mehrani, Azadeh; Morsali, Ali

    2014-09-01

    Two new complexes with the ligand 4‧-(4-pyridyl)-2,2‧:6‧,2‧-terpyridine (pyterpy), [Hg(pyterpy)2](ClO4)2 and [Cd(pyterpy)2](ClO4)2ṡH2O, have been synthesized and characterized by elemental analysis, IR spectroscopy and structurally analyzed by X-ray single-crystal diffraction. The single crystal X-ray analysis shows that the coordination number in these complexes is six and the “pyterpy” ligand acts as a tridentate donor. The thermolysis studies show that the calcination of [Cd(pyterpy)2](ClO4)2ṡH2O leads to formation of cadmium oxide nano-particles while the calcination of mercury(II) complex does not form HgO as mercury evaporated before getting oxide.

  9. An introduction to the chemistry of complex compounds

    CERN Document Server

    Grinberg, Aleksander Abramovich; Trimble, R F

    1962-01-01

    An Introduction to the Chemistry of Complex Compounds discusses the fundamental concepts that are essential in understanding the underlying principles of complex compounds. The coverage of the book includes the compounds of the hexa, penta, and tetrammine type; compounds of the tri, dl, monoamine and hexacido types for the coordination number of 6; and complex compounds with a coordination number of 4. The text also covers the effects and chemical properties of complex compounds, such as the nature of the force of complex formation; the mutual effects of coordinated groups; and acid-base prope

  10. The structures of binary compounds

    CERN Document Server

    Hafner, J; Jensen, WB; Majewski, JA; Mathis, K; Villars, P; Vogl, P; de Boer, FR

    1990-01-01

    - Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in unders

  11. Coordinate unsaturation with fluorinated ligands

    Energy Technology Data Exchange (ETDEWEB)

    Rack, J.L.; Hurlburt, P.K.; Anderson, O.P.; Strauss, S.H. [Colorado State Univ., Ft. Collins, CO (United States)

    1993-12-31

    The preparation and characterization of Zn(OTeF{sub 5}){sub 2} has resulted in a model compound with which to explore the concept of coordinative unsaturation. The coordination of solvents of varying donicity and dielectric constant to the Zn(II) ions in Zn(OTeF{sub 5}){sub 2} was studied by vapor phase monometry, NMR and IR spectroscopy, conductimetry, and X-Ray crystallography. The structures of [Zn(C{sub 6}H{sub 5}NO{sub 2}){sub 2}(OTeF{sub 5})2]2 and Zn(C{sub 6}H{sub 5}NO{sub 2}){sub 3}(OTEF{sub 5}){sub 2} demonstrate the electronic flexibility of some weakly coordinating solvents in that nitrobenzene can function as either an {eta}{sup 1}O or {eta}{sup 2}O,O`-ligand. The dependence of the number of bound solvent molecules and the degree of OTeF{sub 5}{minus} dissociation on solvent donor number and dielectric constant will be presented.

  12. Enhanced time overcurrent coordination

    Energy Technology Data Exchange (ETDEWEB)

    Enriquez, Arturo Conde; Martinez, Ernesto Vazquez [Universidad Autonoma de Nuevo Leon, Facultad de Ingenieria Mecanica y Electrica, Apdo. Postal 114-F, Ciudad Universitaria, CP 66450 San Nicolas de los Garza, Nuevo Leon (Mexico)

    2006-04-15

    In this paper, we recommend a new coordination system for time overcurrent relays. The purpose of the coordination process is to find a time element function that allows it to operate using a constant back-up time delay, for any fault current. In this article, we describe the implementation and coordination results of time overcurrent relays, fuses and reclosers. Experiments were carried out in a laboratory test situation using signals of a power electrical system physics simulator. (author)

  13. Novel Intramolecular Coordination Chemistry of Some New Metallocene Complexes

    Institute of Scientific and Technical Information of China (English)

    钱延龙; 黄吉玲

    2001-01-01

    This article summarizes the recent results of systematic study on the novel intramolecular cordination chemistry of some new substituted metallocene complexes made by our research group.It deals with the syntheses,reactions,structures of 65 new substituted metallocene complexes and some application of such coordination in homogeneous ctalysis,especially the structural chemistry of such novel intramolecular coordination complexes,and the mechanism of elimination and cyclization of such coordination compounds,as well as their control action in catalytic reactions.

  14. Enhanced ion anisotropy by nonconventional coordination geometry: single-chain magnet behavior for a [{Fe(II)L}2{Nb(IV)(CN)8}] helical chain compound designed with heptacoordinate Fe(II).

    Science.gov (United States)

    Venkatakrishnan, Thengarai S; Sahoo, Shaon; Bréfuel, Nicolas; Duhayon, Carine; Paulsen, Carley; Barra, Anne-Laure; Ramasesha, S; Sutter, Jean-Pascal

    2010-05-05

    Nonconventional heptacoordination in combination with efficient magnetic exchange coupling is shown to yield a 1-D heteronuclear {Fe(II)Nb(IV)} compound with remarkable magnetic features when compared to other Fe(II)-based single chain magnets (SCM). Cyano-bridged heterometallic {3d-4d} and {3d-5d} chains are formed upon assembling Fe(II) bearing a pentadentate macrocycle as the blocking ligand with octacyano metallates, [M(CN)(8)](4-) (M = Nb(IV), Mo(IV), W(IV)). X-ray diffraction (single-crystal and powder) measurements reveal that the [{(H(2)O)Fe(L(1))}{M(CN)(8)}{Fe(L(1))}](infinity) architectures consist of isomorphous 1-D polymeric structures based on the alternation of {Fe(L(1))}(2+) and {M(CN)(8)}(4-) units (L(1) stands for the pentadentate macrocycle). Analysis of the magnetic susceptibility behavior revealed cyano-bridged {Fe-Nb} exchange interaction to be antiferromagnetic with J = -20 cm(-1) deduced from fitting an Ising model taking into account the noncollinear spin arrangement. For this ferrimagnetic chain a slow relaxation of its magnetization is observed at low temperature revealing a SCM behavior with Delta/k(B) = 74 K and tau(0) = 4.6 x 10(-11) s. The M versus H behavior exhibits a hysteresis loop with a coercive field of 4 kOe at 1 K and reveals at 380 mK magnetic avalanche processes, i.e., abrupt reversals in magnetization as H is varied. The origin of these characteristics is attributed to the combination of efficient {Fe-Nb} exchange interaction and significant anisotropy of the {Fe(L(1))} unit. High field EPR and magnetization experiments have revealed for the parent compound [Fe(L(1))(H(2)O)(2)]Cl(2) a negative zero field splitting parameter of D approximately = -17 cm(-1). The crystal structure, magnetic behavior, and Mossbauer data for [Fe(L(1))(H(2)O)(2)]Cl(2) are also reported.

  15. Characterizing traits of coordination

    NARCIS (Netherlands)

    Poss, R.

    2013-01-01

    How can one recognize coordination languages and technologies? As this report shows, the common approach that contrasts coordination with computation is intellectually unsound: depending on the selected understanding of the word "computation", it either captures too many or too few programming

  16. Coordination models and languages

    NARCIS (Netherlands)

    Papadopoulos, G.A.; Arbab, F.

    1998-01-01

    A new class of models, formalisms and mechanisms has recently evolved for describing concurrent and distributed computations based on the concept of ``coordination''. The purpose of a coordination model and associated language is to provide a means of integrating a number of possibly heterogeneous c

  17. Team coordination dynamics.

    Science.gov (United States)

    Gorman, Jamie C; Amazeen, Polemnia G; Cooke, Nancy J

    2010-07-01

    Team coordination consists of both the dynamics of team member interaction and the environmental dynamics to which a team is subjected. Focusing on dynamics, an approach is developed that contrasts with traditional aggregate-static concepts of team coordination as characterized by the shared mental model approach. A team coordination order parameter was developed to capture momentary fluctuations in coordination. Team coordination was observed in three-person uninhabited air vehicle teams across two experimental sessions. The dynamics of the order parameter were observed under changes of a team familiarity control parameter. Team members returned for the second session to either the same (Intact) or different (Mixed) team. 'Roadblock' perturbations, or novel changes in the task environment, were introduced in order to probe the stability of team coordination. Nonlinear dynamic methods revealed differences that a traditional approach did not: Intact and Mixed team coordination dynamics looked very different; Mixed teams were more stable than Intact teams and explored the space of solutions without the need for correction. Stability was positively correlated with the number of roadblock perturbations that were overcome successfully. The novel and non-intuitive contribution of a dynamical analysis was that Mixed teams, who did not have a long history working together, were more adaptive. Team coordination dynamics carries new implications for traditional problems such as training adaptive teams.

  18. 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) Traceability...

  19. Social Postural Coordination

    Science.gov (United States)

    Varlet, Manuel; Marin, Ludovic; Lagarde, Julien; Bardy, Benoit G.

    2011-01-01

    The goal of the current study was to investigate whether a visual coupling between two people can produce spontaneous interpersonal postural coordination and change their intrapersonal postural coordination involved in the control of stance. We examined the front-to-back head displacements of participants and the angular motion of their hip and…

  20. Social Postural Coordination

    Science.gov (United States)

    Varlet, Manuel; Marin, Ludovic; Lagarde, Julien; Bardy, Benoit G.

    2011-01-01

    The goal of the current study was to investigate whether a visual coupling between two people can produce spontaneous interpersonal postural coordination and change their intrapersonal postural coordination involved in the control of stance. We examined the front-to-back head displacements of participants and the angular motion of their hip and…

  1. The Influence Research of Metal Ion Coordination Compound Enzyme Preparation on Cassava Fermentation Ethanol%金属离子协同复合酶制剂对木薯发酵产乙醇的影响研究

    Institute of Scientific and Technical Information of China (English)

    冷从斌; 雷宇; 黄文荣; 柳静; 刘士清; 张无敌; 尹芳; 陈玉保; 赵兴玲

    2012-01-01

    The metal ion can make the compound enzyme activity increased, thereby improving the material degradation rate, and ultimately improve liquor ratio, The experiment based on Mg2+ ,Fe2+ ,Mn2+ ,Co2+ four metal ions of single factor experiment, has significant effect, the average increase ethanol liquor yield by 1~4 percentage points. The results are as follows: the control group liquor ratio of 34. 50% ,1. 4mg/g Mg2+(the fermented mash)liquor ratio of 37.3%, 0. 6mg/g Fe2+ liquor ratio of 35. 40% ,0. 2mg/g Mn2+ liquor ratio by 36.70%, 0. 4mg/g Co2+ liquor ratio by 38. 00%.%某些金属离子对木薯发酵产乙醇用复合酶制剂具有激活作用,从而提高原料的降解率,最终提高出酒率.实验选取Mg2+、Fe2+、Mn2+、Co2+四种金属离子进行单因素实验研究,均具有显著效果,出酒率能提高1~4个百分点,其中Co2+效果最好.实验结果如下:对照组出酒率34.50%,Mg2添加量为1.4mg/g(发酵醪液)时出酒率为37.30%,0.6mg/g Fe2+出酒率35.40%,0.2mg/g Mn2+出酒率36.7%,0.4mg/g Co2+出酒率38.00%.

  2. Synthesis, structural characterization and properties of a 3D infinitely extended structural rare earth coordination compound of K3{[Sm(H2O)7]2Na[α-SiW11O39Sm(H2O)4]2}·14 H2O

    Institute of Scientific and Technical Information of China (English)

    WANG; Jingping; ZHAO; Junwei

    2005-01-01

    A 3D infinitely extended structural rare earth coordination compound with a formula of K3{[Sm(H2O)7]2Na[α-SiW11O39Sm(H2O)4]2}·14H2O has been synthesized by reaction of Sm2O3, HClO4, NaOH with α-K8SiW11O39·nH2O, and characterized by IR,UV spectra, ICP, TG-DTA, cyclic voltammetry, variable-temperature magnetic susceptibility and X-ray single-crystal diffraction.X-ray single-crystal diffraction indicates that the title compound crystallizes in a triclinic lattice, Pī space group, with a=1.2462(3) nm, b=1.2652(3) nm,c=1.8420(4) nm,α=87.45(3)°,β=79.91(3)°,γ=82.57(3)°,Z=1, R1=0.0778,wR2=0.1610.Structural analysis reveals that Sm3+(1) coordination cation has incorporated into the vacant site of [α-SiW11O39]8- entity,forming the [α-SiW11O39Sm(H2O)4]5- subunit.The two adjacent [α-SiW11O39Sm(H2O)4]5- subunits are combined with each other through two Sm(1)-O-W bridges accompanying the formation of dimmer structural unit [α-SiW11O39Sm(H2O)4]210- of the title compound.The neighboring dimmer structural units [α-SiW11O39Sm(H2O)4]210- are linked to form the 1D chainlike structure by means of two Sm3+(2) and a Na+(1) coordination cations.The K+(1) cations connect the 1D packing chains constructing the 2D netlike structure, and adjacent netlike layers are also grafted by K+(2) cations to build the novel 3D infinitely extended structure.The result of TG-DTA curves manifests that the decomposition temperature of the title polyanionic framework is 554℃.The cyclic voltammetry measurements show that the title polyanion has the two-step redox processes in aqueous solution with pH=3.1.Variable temperature magnetic susceptibility indicates the title compound obeys the Cruie-Weiss Law in the higher temperature range from 110 to 300 K, while in the lower temperature range from 2 to 110 K the comparatively strong antiferromagnetism interactions can be observed.

  3. Uranyl ion coordination

    Science.gov (United States)

    Evans, H.T.

    1963-01-01

    A review of the known crystal structures containing the uranyl ion shows that plane-pentagon coordination is equally as prevalent as plane-square or plane-hexagon. It is suggested that puckered-hexagon configurations of OH - or H2O about the uranyl group will tend to revert to plane-pentagon coordination. The concept of pentagonal coordination is invoked for possible explanations of the complex crystallography of the natural uranyl hydroxides and the unusual behavior of polynuclear ions in hydrolyzed uranyl solutions.

  4. State-of-the-art coordination chemistry of radioactive elements

    Energy Technology Data Exchange (ETDEWEB)

    Kharisov, B I [Facultad de Ciencias Quimicas, Universidad Autonoma de Nuevo Leon, Nuevo Leon (Mexico); Mendez-Rojas, Miguel A [Centro de Investigaciones Quimicas, Universidad Autonoma del Estado de Hidalgo, Pachuca, Hidalgo (Mexico)

    2001-10-31

    Modern procedures for the synthesis of coordination and organometallic compounds of actinides and technetium and the properties of these compounds are surveyed. Experimental techniques, including methods for the synthesis of actinide and technetium complexes from elemental metals (oxidative dissolution and direct electrosynthesis), salts and halide, carbonyl and other complexes are generalised. The bibliography includes 283 references.

  5. State-of-the-art coordination chemistry of radioactive elements

    Science.gov (United States)

    Kharisov, B. I.; Mendez-Rojas, Miguel A.

    2001-10-01

    Modern procedures for the synthesis of coordination and organometallic compounds of actinides and technetium and the properties of these compounds are surveyed. Experimental techniques, including methods for the synthesis of actinide and technetium complexes from elemental metals (oxidative dissolution and direct electrosynthesis), salts and halide, carbonyl and other complexes are generalised. The bibliography includes 283 references.

  6. Magnetic Coordinate Systems

    CERN Document Server

    Laundal, K M

    2016-01-01

    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...

  7. 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...

  8. Understanding social motor coordination.

    Science.gov (United States)

    Schmidt, R C; Fitzpatrick, Paula; Caron, Robert; Mergeche, Joanna

    2011-10-01

    Recently there has been much interest in social coordination of motor movements, or as it is referred to by some researchers, joint action. This paper reviews the cognitive perspective's common coding/mirror neuron theory of joint action, describes some of its limitations and then presents the behavioral dynamics perspective as an alternative way of understanding social motor coordination. In particular, behavioral dynamics' ability to explain the temporal coordination of interacting individuals is detailed. Two experiments are then described that demonstrate how dynamical processes of synchronization are apparent in the coordination underlying everyday joint actions such as martial art exercises, hand-clapping games, and conversations. The import of this evidence is that emergent dynamic patterns such as synchronization are the behavioral order that any neural substrate supporting joint action (e.g., mirror systems) would have to sustain.

  9. 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

  10. Highly trifluoromethylated platinum compounds.

    Science.gov (United States)

    Martínez-Salvador, Sonia; Forniés, Juan; Martín, Antonio; Menjón, Babil

    2011-07-11

    The homoleptic, square-planar organoplatinum(II) compound [NBu(4)](2) [Pt(CF(3))(4)] (1) undergoes oxidative addition of CF(3) I under mild conditions to give rise to the octahedral organoplatinum(IV) complex [NBu(4)](2) [Pt(CF(3))(5)I] (2). This highly trifluoromethylated species reacts with Ag(+) salts of weakly coordinating anions in Me(2)CO under a wet-air stream to afford the aquo derivative [NBu(4)][Pt(CF(3))(5) (OH(2))] (4) in around 75% yield. When the reaction of 2 with the same Ag(+) salts is carried out in MeCN, the solvento compound [NBu(4) ][Pt(CF(3))(5)(NCMe)] (5) is obtained in around 80% yield. The aquo ligand in 4 as well as the MeCN ligand in 5 are labile and can be cleanly replaced by neutral and anionic ligands to furnish a series of pentakis(trifluoromethyl)platinate(IV) compounds with formulae [NBu(4)][Pt(CF(3))(5) (L)] (L=CO (6), pyridine (py; 7), tetrahydrothiophene (tht; 8)) and [NBu(4)](2) [Pt(CF(3))(5)X] (X=Cl (9), Br (10)). The unusual carbonyl-platinum(IV) derivative [NBu(4)][Pt(CF(3))(5) (CO)] (6) is thermally stable and has a ν(CO) of 2194 cm(-1). The crystal structures of 2⋅CH(2)Cl(2), 5, [PPh(4) ][Pt(CF(3))(5)(CO)] (6'), and 7 have been established by X-ray diffraction methods. Compound 2 has shown itself to be a convenient entry to the chemistry of highly trifluoromethylated platinum compounds. To the best of our knowledge, compounds 2 and 4-10 are the organoelement compounds with the highest CF(3) content to have been isolated and adequately characterized to date.

  11. [Coordination and donation].

    Science.gov (United States)

    Elizalde, J; Lorente, M

    2006-01-01

    The progressive incorporation of organ transplants as a therapeutic resource resulted in organisational adaptation and overall transplant management, leading to the emergence of the figure of the transplant coordinator in the mid-1980s. In Spain, the National Organisation of Transplants (Organización Nacional de Transplantes - ONT) was created, establishing a system - called the "Spanish model" - based on a network of coordinators at three levels: national, the autonomous community and the hospital. This organisational structure is a point of reference at the world level. The prevalence of the Intensive Medicine specialisation amongst hospital transplant coordinators is remarkable. The majority of organs proceed from brain-dead patients with beating hearts and this requires the infrastructure offered by intensive care units. The functions of the coordinator can be summarised in guaranteeing a synchrony of all the elements and teams that come together in an organisational chain that has come to be called the "process of donation". Schematically, the crucial points that the hospital coordinator develops are the following: - Detection of the potential donor. - Maintenance of the donor. - Diagnosis of brain death. - Family consent. - Preparation of the hospital logistics. - Helping the relatives. - Direct involvement in the Program of Guarantee of Quality. - Person of reference in any activity related to the transplant. It would be desirable to achieve the creation of transplant coordination teams, with univocal messages, professionalism and a permanent input of the so-called "human factor", which is so necessary and also so close to the transplant world.

  12. Continuous parallel coordinates.

    Science.gov (United States)

    Heinrich, Julian; Weiskopf, Daniel

    2009-01-01

    Typical scientific data is represented on a grid with appropriate interpolation or approximation schemes,defined on a continuous domain. The visualization of such data in parallel coordinates may reveal patterns latently contained in the data and thus can improve the understanding of multidimensional relations. In this paper, we adopt the concept of continuous scatterplots for the visualization of spatially continuous input data to derive a density model for parallel coordinates. Based on the point-line duality between scatterplots and parallel coordinates, we propose a mathematical model that maps density from a continuous scatterplot to parallel coordinates and present different algorithms for both numerical and analytical computation of the resulting density field. In addition, we show how the 2-D model can be used to successively construct continuous parallel coordinates with an arbitrary number of dimensions. Since continuous parallel coordinates interpolate data values within grid cells, a scalable and dense visualization is achieved, which will be demonstrated for typical multi-variate scientific data.

  13. 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.

  14. A new definition of coordination number and its use in lanthanide and actinide coordination and organometallic chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Marcalo, J.; Pires de Matos, A. (ICEN, LNETI, Sacavem (Portugal). Dept. de Quimica)

    1989-01-01

    A steric coordination number of a ligand is defined, based on the solid angle comprising the van der Waals' spheres of the atoms of that ligand, as an alternative to the formal coordination number in discussing structural aspects of lanthanide and actinide coordination and organometallic compounds. The study of the bond lengths in 274 structurally characterized compounds of the lanthanides (including scandium and Yttrium), in oxidation states II and III, and the actinides (thorium and uranium), in oxidation states III and IV, was the basis to derive ligand effective radii which are discussed in relation to bonding, coordination geometries, metal ionic radii and oxidation states. Potential uses of the new definition of coordination number and of the ligand effective radii obtained in molecular structure comparison and bond length prediction are also discussed. (author).

  15. Platinum compounds with anti-tumour activity

    NARCIS (Netherlands)

    Plooy, A.C.M.; Lohman, P.H.M.

    1980-01-01

    Ten platinum (Pt) coordination complexes with different ligands, comprising both Pt(II) and Pt(IV) complexes of which the cis-compounds all possessed at least some anti-tumour activity and the trans-compounds were inactive, were tested as to their effect on cell survival and the induction and repair

  16. Polybenzimidazole compounds

    Science.gov (United States)

    Klaehn, John R.; Peterson, Eric S.; Wertsching, Alan K.; Orme, Christopher J.; Luther, Thomas A.; Jones, Michael G.

    2010-08-10

    A PBI compound that includes imidazole nitrogens, at least a portion of which are substituted with an organic-inorganic hybrid moiety. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2--, where R is selected from among methyl, phenyl, vinyl, and allyl. The PBI compound may exhibit similar thermal properties in comparison to the unsubstituted PBI. The PBI compound may exhibit a solubility in an organic solvent greater than the solubility of the unsubstituted PBI. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may occur at about room temperature and/or at about atmospheric pressure. Substituting may use at least five equivalents in relation to the imidazole nitrogens to be substituted or, preferably, about fifteen equivalents.

  17. Coordinating Interactions: The Event Coordination Notation

    DEFF Research Database (Denmark)

    Kindler, Ekkart

    on a much more technical level. The Event Coordination Notation (ECNO) allows modelling the behaviour of an application on a high level of abstraction that is closer to the application’s domain than to the software realizing it. Still, these models contain all necessary details for actually executing...... implementation of ECNO, which consists of a modelling environment based on Eclipse and the Eclipse Modeling Framework (EMF) and an execution engine, which fully supports all the concepts and features of ECNO discussed in this technical report. All the examples are based on EMF, but the ECNO Engine can be used......The purpose of a domain model is to concisely capture the concepts of an application’s domain, and their relation among each other. Even though the main purpose of domain models is not on implementing the application, major parts of an application can be generated from the application’s domain...

  18. Moessbauer spectroscopy in neptunium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

    1997-03-01

    Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

  19. Quantifying linguistic coordination

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Tylén, Kristian

    ). 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......Language has been defined as a social coordination device (Clark 1996) enabling innovative modalities of joint action. However, the exact coordinative dynamics over time and their effects are still insufficiently investigated and quantified. Relying on the data produced in a collective decision...

  20. Introduction to Coordination Chemistry

    CERN Document Server

    Lawrance, Geoffrey Alan

    2010-01-01

    Introduction to Coordination Chemistry examines and explains how metals and molecules that bind as ligands interact, and the consequences of this assembly process. This book describes the chemical and physical properties and behavior of the complex assemblies that form, and applications that may arise as a result of these properties. Coordination complexes are an important but often hidden part of our world?even part of us?and what they do is probed in this book. This book distills the essence of this topic for undergraduate students and for research scientists.

  1. Coordinate Standard Measurement Development

    Energy Technology Data Exchange (ETDEWEB)

    Hanshaw, R.A.

    2000-02-18

    A Shelton Precision Interferometer Base, which is used for calibration of coordinate standards, was improved through hardware replacement, software geometry error correction, and reduction of vibration effects. Substantial increases in resolution and reliability, as well as reduction in sampling time, were achieved through hardware replacement; vibration effects were reduced substantially through modification of the machine component dampening and software routines; and the majority of the machine's geometry error was corrected through software geometry error correction. Because of these modifications, the uncertainty of coordinate standards calibrated on this device has been reduced dramatically.

  2. Computational investigation and design of coordination compounds for hydrogen storage

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo

    Two classes of high capacity hydrogen storage materials, the metal tetrahydroborates and the metal ammines, were investigated at the atomic scale using density functional theory simulations. It was shown that simple model structures could be used to asses the stabilities of complex systems. Trends...... are questionable and should be investigated further. The ab-/desorption cycles of magnesium and calcium ammines were analyzed and the faster kinetics of the magnesium ammines could be explained by a layered structure of magnesium chloride. It was found that doping calcium chloride with iodine could force...

  3. Co-Ordination Compounds as Sensitizers for Percussion Cap Compositions

    Science.gov (United States)

    1949-01-01

    Lead styphnate , unfortunately, makes the finished caps liable to explode en-masse, while barium nitrate promotes muzzle flash in certain guns. V...based on dinitro- diazophenol (D.D.N.P.). Type (a) contains lead styphnate , tetrazene, barium nitrate, calcium silicide, lead peroxide (with or...oxide 16 8 4 3 Sodium dinitrobonzfurazan oxide 16 8 4 3 Barium Styphnate 16 8 4 3 2 1 45. < 3 1 » ; I 5I 5^ I ’s 1 • •o t o

  4. From iron coordination compounds to metal oxide nanoparticles

    Directory of Open Access Journals (Sweden)

    Mihail Iacob

    2016-12-01

    Full Text Available Various types, shapes and sizes of iron oxide nanoparticles were obtained depending on the nature of the precursor, preparation method and reaction conditions. The mixed valence trinuclear iron acetate, [Fe2IIIFeIIO(CH3COO6(H2O3]·2H2O (FeAc1, μ3-oxo trinuclear iron(III acetate, [Fe3O(CH3COO6(H2O3]NO3∙4H2O (FeAc2, iron furoate, [Fe3O(C4H3OCOO6(CH3OH3]NO3∙2CH3OH (FeF, iron chromium furoate, FeCr2O(C4H3OCOO6(CH3OH3]NO3∙2CH3OH (FeCrF, and an iron complex with an original macromolecular ligand (FePAZ were used as precursors for the corresponding oxide nanoparticles. Five series of nanoparticle samples were prepared employing either a classical thermal pathway (i.e., thermal decomposition in solution, solvothermal method, dry thermal decomposition/calcination or using a nonconventional energy source (i.e., microwave or ultrasonic treatment to convert precursors into iron oxides. The resulting materials were structurally characterized by wide-angle X-ray diffraction and Fourier transform infrared, Raman, energy-dispersive X-ray, and X-ray fluorescence spectroscopies, as well as thermogravimetric analysis. The morphology was characterized by transmission electron microscopy, atomic force microscopy and dynamic light scattering. The parameters were varied within each route to fine tune the size and shape of the formed nanoparticles.

  5. Coordination failure caused by sunspots

    DEFF Research Database (Denmark)

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

    2012-01-01

    In a coordination game with Pareto-ranked equilibria, we study whether a sunspot can lead to either coordination on an inferior equilibrium (mis-coordination) or to out-of equilibrium behavior (dis-coordination). While much of the literature searches for mechanisms to attain coordination...... 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....

  6. 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 inte­grating...

  7. Rockin' Readers Coordinator Handbook.

    Science.gov (United States)

    Alachua County Schools, Gainesville, FL.

    This coordinator's handbook describes the "Rockin' Readers" program, in which senior-citizen volunteers are matched with specifically targeted at-risk children (usually of kindergarten age or slightly older) in Alachua County, Florida, who tested below their peer group in language development and reading readiness skills. The handbook…

  8. Explicit Spin Coordinates

    CERN Document Server

    Hunter, G; Hunter, Geoffrey; Schlifer, Ian

    2005-01-01

    The recently established existence of spherical harmonic functions, $Y_\\ell^{m}(\\theta,\\phi)$ for half-odd-integer values of $\\ell$ and $m$, allows for the introduction into quantum chemistry of explicit electron spin-coordinates; i.e. spherical polar angles $\\theta_s, \\phi_s$, that specify the orientation of the spin angular momentum vector in space. In this coordinate representation the spin angular momentum operators, $S^2, S_z$, are represented by the usual differential operators in spherical polar coordinates (commonly used for $L^2, L_z$), and their electron-spin eigenfunctions are $\\sqrt{\\sin\\theta_s} \\exp(\\pm\\phi_s/2)$. This eigenfunction representation has the pedagogical advantage over the abstract spin eigenfunctions, $\\alpha, \\beta,$ that ``integration over spin coordinates'' is a true integration (over the angles $\\theta_s, \\phi_s$). In addition they facilitate construction of many electron wavefunctions in which the electron spins are neither parallel nor antiparallel, but inclined at an interme...

  9. Equilibria with Coordination Failures

    NARCIS (Netherlands)

    Herings, P.J.J.; van der Laan, G.; Talman, A.J.J.

    2004-01-01

    This paper extends the recent literature on equilibria with coordination failures to arbitrary convex sets of admissible prices.We introduce a new equilibrium concept, called quantity constrained equilibrium (QCE), giving a uni.ed treatment to all cases considered in the literature so far.At a QCE

  10. 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.

  11. Synthetic rubbers prepared by lanthanide coordination catalysts

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    China is rich in rare earth resources. Rare earth elements, also named lanthanides, are number 58 to number 81 elements in the elemental periodic table. They have unique electronic structures and may form various coordination compounds. In the early 1960s, researchers at the Changchun Institute of Applied Chemistry, Chinese Academy of Sciences (CIAC) found the catalytic activities of lanthanide compounds in stereospecific polymerization of conjugated dienes, and published the first paper on this topic in 1964. On the basis of this finding, CIAC launched extensive research activities on lanthanide compounds as diene polymerization catalysts, from a series of fundamental research to the efforts of industrializing the rare earth catalyzed cis-1,4-polybutatine rubber and cis-1,4-polyisoprene rubber. This review aims to summarize the progress in this field in the past half century.

  12. Synthetic rubbers prepared by lanthanide coordination catalysts

    Institute of Scientific and Technical Information of China (English)

    CHEN WenQi; WANG FoSong

    2009-01-01

    China is rich in rare earth resources. Rare earth elements, also named Ianthanides, are number 58 to number 81 elements in the elemental periodic table. They have unique electronic structures and may form various coordination compounds. In the early 1960s, researchers at the Changchun Institute of Applied Chemistry, Chinese Academy of Sciences (CIAC) found the catalytic activities of lanthanide compounds in stereospecific polymerization of conjugated dienes, and published the first paper on this topic in 1964. On the basis of this finding, CIAC launched extensive research activities on lanthanide compounds as diene polymerization catalysts, from a series of fundamental research to the efforts of industrializing the rare earth catalyzed cis~(-1),4-polybutatine rubber and cis~(-1),4-polyisoprene rubber. This review aims to summarize the progress in this field in the past half century.

  13. Interpnictogen cations: exploring new vistas in coordination chemistry.

    Science.gov (United States)

    Robertson, Alasdair P M; Gray, Paul A; Burford, Neil

    2014-06-10

    Pnictine derivatives can behave as both 2e(-) donors (Lewis bases) and 2e(-) acceptors (Lewis acids). As prototypical ligands in the coordination chemistry of transition metals, amines and phosphines also form complexes with p-block Lewis acids, including a variety of pnictogen-centered acceptors. The inherent Lewis acidity of pnictogen centers can be enhanced by the introduction of a cationic charge, and this feature has been exploited in recent years in the development of compounds resulting from coordinate Pn-Pn and Pn-Pn' interactions. These compounds offer the unusual opportunity for homoatomic coordinate bonding and the development of complexes that possess a lone pair of electrons at the acceptor center. This Review presents new directions in the systematic extension of coordination chemistry from the transition series into the p-block.

  14. Multipurpose Compound

    Science.gov (United States)

    1983-01-01

    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  15. Technetium and rhenium: coordination chemistry and nuclear medical applications

    OpenAIRE

    Abram,Ulrich; Alberto, Roger

    2006-01-01

    Coordination compounds of the radioactive element technetium are well established in diagnostic nuclear medicine, and various complexes of the gamma-emitting nuclide 99mTc are routinely used for organ imaging. Modern trends in the radiopharmaceutical chemistry of technetium focus on the 'labeling' of biologically active molecules such as peptides, steroids or other receptor-seeking units. This requires more knowledge about the coordination chemistry of the artificial transition metal, particu...

  16. Global Coordinate System

    Science.gov (United States)

    1985-02-01

    Time in hours at Oh UT is GAST (hours) = GMST + E (41) GAST in radians is GASTo (radians) = GAST (hours) L (42) The angle e required for transforming...inertial coordinates to ECEF is- 6(radians) GASTo + 6.3003880.99 (ti - th) (43) o ~ooUT Mod ( E 27) where St.i - tohLjT = (JD -2.4 106). (JDOE -2.4 x

  17. International Monetary Policy Coordination

    OpenAIRE

    Carlberg, Michael

    2005-01-01

    This paper studies the international coordination of monetary policies in the world economy. It carefully discusses the process of policy competition and the structure of policy cooperation. As to policy competition, the focus is on monetary competition between Europe and America. Similarly, as to policy cooperation, the focus is on monetary cooperation between Europe and America. The spillover effects of monetary policy are negative. The policy targets are price stability and full employment.

  18. Global coordination: weighted voting

    Directory of Open Access Journals (Sweden)

    Jan-Erik Lane

    2014-03-01

    Full Text Available In order to halt the depletion of global ecological capital, a number of different kinds of meetings between Governments of countries in the world has been scheduled. The need for global coordination of environmental policies has become ever more obvious, supported by more and more evidence of the running down of ecological capital. But there are no formal or binding arrangements in sight, as global environmental coordination suffers from high transaction costs (qualitative voting. The CO2 equivalent emissions, resulting in global warming, are driven by the unstoppable economic expansion in the global market economy, employing mainly fossil fuel generated energy, although at the same time lifting sharply the GDP per capita of several emerging countries. Only global environmental coordination on the successful model of the World Band and the IMF (quantitative voting can stem the rising emissions numbers and stop further environmental degradation. However, the system of weighted voting in the WB and the IMF must be reformed by reducing the excessive voting power disparities, for instance by reducing all member country votes by the cube root expression.

  19. 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.

  20. 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.

  1. Feasibility of a complex compound heat pump

    Science.gov (United States)

    Rockenfeller, Uwe

    1987-07-01

    A feasibility study is described of a double effect gas fired heat pump using ammoniated solid vapor complex compounds as the working media. The cycle takes advantage of the coordinative characteristics of complex compound ligand bonds resulting in large coordination spheres with only one degree of freedom. The cycle has high efficiency, no moving parts, and minimum electrical parasitic requirements. Fluid properties of candidate materials were measured with respect to vapor pressure equilibria, coordination properties and thermal stability. Preliminary reaction rate measurements were performed in adsorption and desorption processes. A computer model of double effect cycle was developed in order to predict the operating performance of the candidate complex compound media. The computer model was used to determine preliminary heat balances and coefficients of performance.

  2. Intermetallic Compounds

    Science.gov (United States)

    Takagiwa, Y.; Matsuura, Y.; Kimura, K.

    2014-06-01

    We have focused on the binary narrow-bandgap intermetallic compounds FeGa3 and RuGa3 as thermoelectric materials. Their crystal structure is FeGa3-type (tetragonal, P42/ mnm) with 16 atoms per unit cell. Despite their simple crystal structure, their room temperature thermal conductivity is in the range 4-5-W-m-1-K-1. Both compounds have narrow-bandgaps of approximately 0.3-eV near the Fermi level. Because their Seebeck coefficients are quite large negative values in the range 350-FeGa3 and RuGa3 as n and p-type materials. The dimensionless figure of merit, ZT, was significantly improved by substitution of Sn for Ga in FeGa3 (electron-doping) and by substitution of Zn for Ga in RuGa3 (hole-doping), mainly as a result of optimization of the electronic part, S 2 σ.

  3. Organic Compounds

    Science.gov (United States)

    Shankland, Kenneth

    For many years, powder X-ray diffraction was used primarily as a fingerprinting method for phase identification in the context of molecular organic materials. In the early 1990s, with only a few notable exceptions, structures of even moderate complexity were not solvable from PXRD data alone. Global optimisation methods and highly-modified direct methods have transformed this situation by specifically exploiting some well-known properties of molecular compounds. This chapter will consider some of these properties.

  4. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  5. Symmetric two-coordinate photodiode

    Directory of Open Access Journals (Sweden)

    Dobrovolskiy Yu. G.

    2008-12-01

    Full Text Available The two-coordinate photodiode is developed and explored on the longitudinal photoeffect, which allows to get the coordinate descriptions symmetric on the steepness and longitudinal resistance great exactness. It was shown, that the best type of the coordinate description is observed in the case of scanning by the optical probe on the central part of the photosensitive element. The ways of improvement of steepness and linear of its coordinate description were analyzed.

  6. Invariant Manifolds and Collective Coordinates

    CERN Document Server

    Papenbrock, T

    2001-01-01

    We introduce suitable coordinate systems for interacting many-body systems with invariant manifolds. These are Cartesian in coordinate and momentum space and chosen such that several components are identically zero for motion on the invariant manifold. In this sense these coordinates are collective. We make a connection to Zickendraht's collective coordinates and present certain configurations of few-body systems where rotations and vibrations decouple from single-particle motion. These configurations do not depend on details of the interaction.

  7. Coordination Processes in International Organisations

    DEFF Research Database (Denmark)

    Nedergaard, Peter

    2008-01-01

    to coordinate relatively elaborate agreements due to the strength of its coordination as far as professional or technical and political activities (excepting the ILO budget) are concerned. In other more clear-cut or 'simple' policy areas such as the ILO budget, the EU coordination is weak: this contrast...

  8. Work Coordination Engine

    Science.gov (United States)

    Zendejas, Silvino; Bui, Tung; Bui, Bach; Malhotra, Shantanu; Chen, Fannie; Kim, Rachel; Allen, Christopher; Luong, Ivy; Chang, George; Sadaqathulla, Syed

    2009-01-01

    The Work Coordination Engine (WCE) is a Java application integrated into the Service Management Database (SMDB), which coordinates the dispatching and monitoring of a work order system. WCE de-queues work orders from SMDB and orchestrates the dispatching of work to a registered set of software worker applications distributed over a set of local, or remote, heterogeneous computing systems. WCE monitors the execution of work orders once dispatched, and accepts the results of the work order by storing to the SMDB persistent store. The software leverages the use of a relational database, Java Messaging System (JMS), and Web Services using Simple Object Access Protocol (SOAP) technologies to implement an efficient work-order dispatching mechanism capable of coordinating the work of multiple computer servers on various platforms working concurrently on different, or similar, types of data or algorithmic processing. Existing (legacy) applications can be wrapped with a proxy object so that no changes to the application are needed to make them available for integration into the work order system as "workers." WCE automatically reschedules work orders that fail to be executed by one server to a different server if available. From initiation to completion, the system manages the execution state of work orders and workers via a well-defined set of events, states, and actions. It allows for configurable work-order execution timeouts by work-order type. This innovation eliminates a current processing bottleneck by providing a highly scalable, distributed work-order system used to quickly generate products needed by the Deep Space Network (DSN) to support space flight operations. WCE is driven by asynchronous messages delivered via JMS indicating the availability of new work or workers. It runs completely unattended in support of the lights-out operations concept in the DSN.

  9. Advice for Coordination

    DEFF Research Database (Denmark)

    Hankin, Chris; Nielson, Flemming; Nielson, Hanne Riis

    2008-01-01

    demanding than the closed joinpoints in more traditional aspect oriented languages like AspectJ. The usefulness of our approach is demonstrated by mechanisms for discretionary and mandatory access control policies, as usually expressed by reference monitors, as well as mechanisms for logging actions.......We show how to extend a coordination language with support for aspect oriented programming. The main challenge is how to properly deal with the trapping of actions before the actual data have been bound to the formal parameters. This necessitates dealing with open joinpoints – which is more...

  10. Markov stochasticity coordinates

    Science.gov (United States)

    Eliazar, Iddo

    2017-01-01

    Markov dynamics constitute one of the most fundamental models of random motion between the states of a system of interest. Markov dynamics have diverse applications in many fields of science and engineering, and are particularly applicable in the context of random motion in networks. In this paper we present a two-dimensional gauging method of the randomness of Markov dynamics. The method-termed Markov Stochasticity Coordinates-is established, discussed, and exemplified. Also, the method is tweaked to quantify the stochasticity of the first-passage-times of Markov dynamics, and the socioeconomic equality and mobility in human societies.

  11. Synthesis and Structures of Coordination Compounds of Triphenylarsine with Triorganotin and Triorganolead Chlorides%氯化三有机基锡和氯化三有机基铅与三苯基氧胂配合物的合成和晶体结构研究

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Report here are the synthesis and X-ray crystal structures of triphenylarsine oxide monohydrate Ph3AsO·H2O(1) and its coordination compounds with triphenyltin chloride,tri(p-chlorophenyl)tin chloride and triphenyllead chloride [Ph3SnCl(OAsPh3)](2),[(ClPh)3SnCl(OAsPh3)](3) and [Ph3PbCl(OAsPh3)](4).Crystal data (1) monoclinic,P21/n,a=9.4604(7),b=16.6347(7),c=11.1544(11)(A),β=113.233(6)° ,V=1613.0(2)(A)3,Z=4,Dcalcd=1.401g·cm-3,R=0.0576,Rw=0.0683;(2)monoclinic,P21/n,a=18.235(4),b=18.203(4),c=18.917(4)(A),β=94.07(3)° ,V=6263(2)(A)3,Z=8,Dcalcd=1.501g.cm-3,R=0.0510,Rw=0.0648;(3)triclinic,P,a=12.9787(11),b=13.873(2),c=20.183(3)(A),α=98.051(10)°,β=99.176(9)°,γ=91.212(8)°,V=3548(7)3,Z=4,Dcalcd=1.518g·cm-3,R=0.074,Rw=0.1248;(4)monoclinic,P21/n,a=18.336(2),b=18.316(2),c=18.810(2)(A),β =94.250(10)° ,V=6299.8(11)(A)3,Z=8,Dcalcd=1.679g.cm-3,R=0.0808,Rw=0.1829,respectively.The triphenylarsine oxide crystallizes with one molecule of water hydrogen-bond to the oxygen atoms of two triphenylarsine oxide molecules.This ligand forms isostructural coordination compounds with triorganotin and triorganolead chlorides.There are two molecules of [Ph3MCl(OAsPh3)] in an asymmetric unit.The geometry at the tin or lead atom is closed to a trigonal bipyramid with the 3 aryl rings occupying the equatorial position while the chlorine and oxygen atoms in the axial position.The coordination geometry of the arsenic atom is essentially tetrahedral.%描述了一水合三苯基氧胂Ph3AsO·H2O(1)及其与氯化三苯基锡,氯化三对氯苯基锡及氯化三苯基铅配合物[Ph3SnCl(OAsPh3)](2),[(ClPh)3SnCl(OAsPh3)](3)和[Ph3PbCl(OAsPh3)](4)的合成和晶体结构,晶体数据分别为(1)单斜晶系,空间群P21/n,a=9.4604(7),b=16.6347(7),c=11.1544(11)(A),β=113.233(6)°,V=1613.0(2)(A)3,Z=4,Dcalcd=1.401g·cm-3,R=0.0576,Rw=0.0683;(2)单斜晶系,空间群P21/n,a=18.235(4),b=18.203(4),c=18.917(4)(A),β=94.07(3)°,V=6263(2)(A)3,Z=8,Dcalcd=1

  12. 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......) To what outcome does this coordination lead and why? Based on an analysis of EU coordination before and during the International Labour Conference in 2005, and on a comparison with coordination processes of the IMEC group, it is found that the Commission and the Presidency act as twin-agents vis...... 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...

  13. Coordinate cytokine regulatory sequences

    Science.gov (United States)

    Frazer, Kelly A.; Rubin, Edward M.; Loots, Gabriela G.

    2005-05-10

    The present invention provides CNS sequences that regulate the cytokine gene expression, expression cassettes and vectors comprising or lacking the CNS sequences, host cells and non-human transgenic animals comprising the CNS sequences or lacking the CNS sequences. The present invention also provides methods for identifying compounds that modulate the functions of CNS sequences as well as methods for diagnosing defects in the CNS sequences of patients.

  14. studies on transition metal complexes of herbicidal compounds. ii

    African Journals Online (AJOL)

    a

    II: TRANSITION METAL COMPLEXES OF DERIVATIZED 2-CHLORO-4- ... Several compounds of this class like atrazine, simazine, prometryn, aziprotryn, etc. .... dissolve in water and most of the common polar organic solvents. ... coordination.

  15. A new redox-active coordination polymer with cobalticinium dicarboxylate.

    Science.gov (United States)

    Kondo, Mitsuru; Hayakawa, Yuri; Miyazawa, Makoto; Oyama, Aiko; Unoura, Kei; Kawaguchi, Hiroyuki; Naito, Tetsuyoshi; Maeda, Kenji; Uchida, Fumio

    2004-09-20

    A new two-dimensional coordination polymer with cobalticinium 1,1'-dicarboxylate (ccdc) incorporated in the framework has been prepared, the ccdc functioning as unique monoanionic dicarboxylate ligands. The compound shows a high redox activity based on the ccdc units.

  16. Magnesium compounds

    Science.gov (United States)

    Kramer, D.A.

    2012-01-01

    Seawater and natural brines accounted for about 57 percent of magnesium compounds produced in the United States in 2011. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties LLC from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia LLC in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash Wendover LLC and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma Inc. in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its brine operation in Michigan.

  17. Coordination using Implicit Communication

    CERN Document Server

    Cuff, Paul

    2011-01-01

    We explore a basic noise-free signaling scenario where coordination and communication are naturally merged. A random signal X_1,...,X_n is processed to produce a control signal or action sequence A_1,...,A_n, which is observed and further processed (without access to X_1,...,X_n) to produce a third sequence B_1,...,B_n. The object of interest is the set of empirical joint distributions p(x,a,b) that can be achieved in this setting. We show that H(A) >= I(X;A,B) is the necessary and sufficient condition for achieving p(x,a,b) when no causality constraints are enforced on the encoders. We also give results for various causality constraints. This setting sheds light on the embedding of digital information in analog signals, a concept that is exploited in digital watermarking, steganography, cooperative communication, and strategic play in team games such as bridge.

  18. On Coordinating Collaborative Objects

    CERN Document Server

    Imine, Abdessamad

    2010-01-01

    A collaborative object represents a data type (such as a text document) designed to be shared by a group of dispersed users. The Operational Transformation (OT) is a coordination approach used for supporting optimistic replication for these objects. It allows the users to concurrently update the shared data and exchange their updates in any order since the convergence of all replicas, i.e. the fact that all users view the same data, is ensured in all cases. However, designing algorithms for achieving convergence with the OT approach is a critical and challenging issue. In this paper, we propose a formal compositional method for specifying complex collaborative objects. The most important feature of our method is that designing an OT algorithm for the composed collaborative object can be done by reusing the OT algorithms of component collaborative objects. By using our method, we can start from correct small collaborative objects which are relatively easy to handle and incrementally combine them to build more ...

  19. Coordinating Group report

    Energy Technology Data Exchange (ETDEWEB)

    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.

  20. Reactions of Dicyclopentadienyltitanium(III) Compounds with Carbon Monoxide

    NARCIS (Netherlands)

    Boer, E.J.M. de; Cate, L.C. ten; Staring, A.G.J.; Teuben, J.H.

    1979-01-01

    Reactions of Cp2TiR (R = Cl, C6F5, C6H5, o-CH3C6H4) with CO give two types of products: terminally coordinated adducts, Cp2Ti(R)CO, and insertion products, Cp2TiCOR, i.e. acyl compounds. The acyl ligand is η2-coordinated at the titanium atom. The preparations and properties of the compounds are

  1. Coordination chemistry and biological activity of 5'-OH modified quinoline-B12 derivatives.

    Science.gov (United States)

    Zelenka, Karel; Brandl, Helmut; Spingler, Bernhard; Zelder, Felix

    2011-10-14

    The consequences of structural modifications at the 5'-OH ribofuranotide moiety of quinoline modified B12 derivatives are discussed in regard of the coordination chemistry, the electrochemical properties and the biological behaviour of the compound.

  2. Coordination and Crystallization Molecules: Their Interactions Affecting the Dimensionality of Metalloporphyrinic SCFs

    Directory of Open Access Journals (Sweden)

    Arkaitz Fidalgo-Marijuan

    2015-04-01

    Full Text Available Synthetic metalloporphyrin complexes are often used as analogues of natural systems, and they can be used for the preparation of new Solid Coordination Frameworks (SCFs. In this work, a series of six metalloporphyrinic compounds constructed from different meso substituted metalloporphyrins (phenyl, carboxyphenyl and sulfonatophenyl have been structurally characterized by means of single crystal X-ray diffraction, IR spectroscopy and elemental analysis. The compounds were classified considering the dimensionality of the crystal array, referred just to coordination bonds, into 0D, 1D and 2D compounds. This way, the structural features and relationships of those crystal structures were analyzed, in order to extract conclusions not only about the dimensionality of the networks but also about possible applications of the as-obtained compounds, focusing the interest on the interactions of coordination and crystallization molecules. These interactions provide the coordination bonds and the cohesion forces which produce SCFs with different dimensionalities.

  3. Alkylcobalt(III) compounds with ammine ligands

    DEFF Research Database (Denmark)

    Kofod, Pauli

    2005-01-01

    Amminecobalt(III) compounds with a coordinated primary alkyl group (ethyl, n-propyl, n-butyl, 2-phenylethyl, 3-aminopropyl) have been prepared using monoalkylhydrazines as alkylating agents. The identities have been established using solution 1H and 13C NMR spectroscopy and elemental analysis...

  4. A view on organocopper compounds an cuprates

    NARCIS (Netherlands)

    Koten, G. van

    1990-01-01

    Research on the chemistry and structural aspects of ortho-substituted-arylcopper and -cuprate compounds in which the ortho-substituents either interfere sterically with the C{i}{p}{s}{o}-to-copper bonding or have a potentially coordinating heteroatom, is described. Concluded is that the simple arylc

  5. Invariant manifolds and collective coordinates

    Energy Technology Data Exchange (ETDEWEB)

    Papenbrock, T. [Centro Internacional de Ciencias, Cuernavaca, Morelos (Mexico); Institute for Nuclear Theory, University of Washington, Seattle, WA (United States); Seligman, T.H. [Centro Internacional de Ciencias, Cuernavaca, Morelos (Mexico); Centro de Ciencias Fisicas, University of Mexico (UNAM), Cuernavaca (Mexico)

    2001-09-14

    We introduce suitable coordinate systems for interacting many-body systems with invariant manifolds. These are Cartesian in coordinate and momentum space and chosen such that several components are identically zero for motion on the invariant manifold. In this sense these coordinates are collective. We make a connection to Zickendraht's collective coordinates and present certain configurations of few-body systems where rotations and vibrations decouple from single-particle motion. These configurations do not depend on details of the interaction. (author)

  6. Synthesis and structural characterization of a single-crystal to single-crystal transformable coordination polymer.

    Science.gov (United States)

    Tian, Yuyang; Allan, Phoebe K; Renouf, Catherine L; He, Xiang; McCormick, Laura J; Morris, Russell E

    2014-01-28

    A single-crystal to single-crystal transformable coordination polymer compound was hydrothermally synthesized. The structural rearrangement is induced by selecting a ligand that contains both strong and weaker coordinating groups. Both hydrated and dehydrated structures were determined by single crystal X-ray analysis.

  7. 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.

  8. Coordination chemistry and solution structure of Fe(II)-peplomycin. Two possible coordination geometries.

    Science.gov (United States)

    Li, Yang; Lehmann, Teresa

    2012-06-01

    The solution structure of Fe(II)-peplomycin was determined from NMR data collected for this molecule. As found previously for Fe(II)- and Co(II)-bound bleomycin; the coordination sphere of the metal is composed of the primary and secondary amines in β-aminoalanine, the pyrimidine and imidazole rings in the pyrimidinylpropionamide, and β-hydroxyhistidine moieties, respectively, the amine nitrogen in β-hydroxyhistidine, and either the carbamoyl group in mannose or a solvent molecule. The two most discussed coordination geometries for the aforementioned ligands in metallo-bleomycins have been tested against the NMR data generated for Fe(II)-peplomycin. The interpretation of the experimental evidence obtained through molecular dynamics indicates that both geometries are equally likely in solution for this compound in the absence of DNA, but arguments are offered to explain why one of these geometries is preferred in the presence of DNA.

  9. Coordination Control Of Complex Machines

    NARCIS (Netherlands)

    J.C.M. Baeten; B. van Beek; J. Markovski; L.J.A.M. Somers

    2015-01-01

    Control and coordination are important aspects of the development of complex machines due to an ever-increasing demand for better functionality, quality, and performance. In WP6 of the C4C project, we developed a synthesis-centric systems engineering framework suitable for supervisory coordination o

  10. Coordinate-Free Rotation Operator.

    Science.gov (United States)

    Leubner, C.

    1979-01-01

    Suggests the use of a coordinate-free rotation operator for the teaching of rotations in Euclidean three space because of its twofold didactic advantage. Illustrates the potentialities of the coordinate-free rotation operator approach by a number of examples. (Author/GA)

  11. 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.

  12. Enterprise Coordination on the Internet

    Directory of Open Access Journals (Sweden)

    Charles Petrie

    2011-02-01

    Full Text Available Enterprises are now connected internally and externally to other Enterprises via the Internet in ways that are increasingly difficult to manage, especially as these interconnections become more dynamic. Current methods of coordinating the effects of change as they propagate through these networks of connections are not likely to scale. What is needed is a new paradigm for how the Internet supports such coordination. Indeed, the Internet should and could provide fundamental coordination functions that are missing today. In this paper, we describe how such a “Coordinated Internet” would work (this paper is an expanded version of [1]. The key functionality of a Coordinated Internet would be that the Internet actively watches what people do (analogous to search completion on desktops today, correlates these activities, and actively notifies people when and how their current tasks affect and are affected by the activities of other people. This would be accomplished by standard coordination functions implemented as a common Internet layer that can be used as a utility by more specialized applications. Such a Coordinated Internet would revolutionize enterprise management, for all enterprises, large and small, corporate and personal. For example, static workflows would become obsolete for all but the the most routine processes. Some solutions provide existence proofs of such a coordination substrate, such as the Redux solution in concurrent engineering, which we describe herein. However, foundational research remains to be done in the new field of Coordination Engineering in order to reach the goal of a future Internet in which coordination functions are fundamental.

  13. Synthesis, structure and photoluminescent property of a novel potassic compound

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A novel 3D coordination compound of K(H2TDA)(H2O) (1) (H3TDA = 1H-1,2,3-triazole-4,5-dicarboxylic acid) has been prepared and characterized by IR spectroscopy, elemental analysis, ICP and single-crystal X-ray diffraction. Compound 1 displays strong fluorescent emission at room temperature.

  14. 基于双坐标系复合控制的模块化多电平换流器环流抑制方法%A Circulating Current Suppression Method Based on Double Coordinate Compound Control for Modular Multilevel Converters

    Institute of Scientific and Technical Information of China (English)

    武健; 刘瑜超; 徐修林; 徐殿国

    2015-01-01

    模块化多电平换流器(MMC)在中高压直流输电中得到了广泛的研究和应用。三相不平衡交流电网下的功率波动引起 MMC 三相桥臂能量不均衡,导致内部环流的产生。针对三相不平衡直流输电系统,对 MMC 内部环流的产生机理进行了理论推导和分析,并根据内部环流的特点,将比例—积分控制与重复控制相结合,提出了一种基于正、负序双同步旋转坐标系下复合控制的环流抑制方法。该方法同时适用于三相平衡和三相不平衡系统。同时,为了提高三相不平衡条件下直流输电系统的波形质量,引入了基于 dq 解耦控制的负序电流补偿方法。仿真结果证明,无论交流系统侧三相是否平衡,该控制策略对环流都具有良好的抑制效果,同时能够确保系统交流侧的三相电流保持平衡。%The modular multilevel converter (MMC) has been widely researched and applied in high-voltage direct-current (HVDC) transmission.MMC three-phase bridge arm energy imbalance is caused by power fluctuations in the three-phase unbalanced alternating current(AC) grid,which generates internal circulating current.In light of the three-phase unbalanced DC transmission system,the internal circulating current mechanism of MMC is derived and analyzed.According to the characteristics of internal circulating current,a compound control method combining proportional-integral (PI) control and repetitive control is proposed for circulating current suppression based on positive and negative sequence in a double synchronous rotating coordinate system.This method is suitable for both three-phase balanced and three-phase unbalanced systems.Meanwhile,in order to improve the waveform quality of the direct current(DC)transmission system under the three-phase unbalanced condition,the negative sequence current compensation method based on dq decoupling control is introduced. The simulation results have verified that

  15. 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.

  16. Chinese geodetic coordinate system 2000

    Institute of Scientific and Technical Information of China (English)

    YANG YuanXi

    2009-01-01

    The basic strategies In establishing the Chinese geodetic coordinate system 2000 have been summarized,including the definition of the coordinate system,the structure of the terrestrial reference frame,the functional and stochastic models involved in the realization of the reference frame as well as the Improvements of the adjustment procedures.First,the fundamental frame of the coordinate system is composed of the permanent GPS tracking network in China which is integrated into the international GPS service stations by combined adjustment,in order to guarantee the consistence between the international terrestrial reference system and the Chinese geodetic coordinate system.Second,the extended frame of the coordinate system is composed of the unified 2000' national GPS network which is Integrated by 6 nationwide GPS networks with more than 2500 stations under the controlling of the fundamental frame.Third,the densified frame is composed of national astronomical geodetic network with nearly 50 thousand stations which was updated by the combined adjustment with the 2000' national GPS network,thus the datum of the national astronomical geodetic network has been unified and the precision greatly improved.By the optimal data fusion method the influences of the datum errors,systematic errors and the outliers in the separated geodetic networks are weakened in the unified Chinese geodetic coordinate frame.The significance in application of the new geodetic coordinate system and the existing problems In the reference frame are described and analyzed.

  17. Toward a theory of coordinating: Creating coordinating mechanisms in practice

    OpenAIRE

    Jarzabkowski, P; Le, J. K.; Feldman, M. S.

    2012-01-01

    This paper uses a practice perspective to study coordinating as dynamic activities that are continuously created and modified in order to enact organizational relationships and activities. It is based on the case of Servico, an organization undergoing a major restructuring of its value chain in response to a change in government regulation. In our case, the actors iterate between the abstract concept of a coordinating mechanism referred to as end-to-end management and its performance in pract...

  18. Evaluating the Relational Coordination instrument

    DEFF Research Database (Denmark)

    Edwards, Kasper; Lundstrøm, Sanne Lykke

    2014-01-01

    and surgical performance. This has prompted the attention of both practitioners and politicians some of who perceive relational coordination as a means to attain better performance. The relational coordination instrument has been validated as a measure of teamwork from the following perspectives: internal...... 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...

  19. Valence-Bond Concepts in Coordination Chemistry and the Nature of Metal-Metal Bonds.

    Science.gov (United States)

    Pauling, Linus; Herman, Zelek S.

    1984-01-01

    Discusses the valence-bond method, applying it to some coordination compounds of metals, especially those involving metal-metal bonds. Suggests that transition metals can form as many as nine covalent bonds, permitting valence-theory to be extended to transition metal compounds in a more effective way than has been possible before. (JN)

  20. Combining coordination and supramolecular chemistry for the formation of uranyl-organic hybrid materials

    Energy Technology Data Exchange (ETDEWEB)

    Deifel, N. P.; Cahill, Christopher L.

    2011-01-01

    Three hybrid compounds have been synthesized through hydrothermal reactions of UO{sub 2}(NO{sub 3}){sub 2}·6H{sub 2}O with 4-halobenzoic acid (X = Cl, Br, I). The formation of these compounds utilizes a composite synthesis methodology that explicitly employs aspects of both coordination chemistry and supramolecular chemistry (namely halogen---halogen interactions).

  1. Chemistry of stannylene-based Lewis pairs: dynamic tin coordination switching between donor and acceptor character.

    Science.gov (United States)

    Krebs, Kilian M; Freitag, Sarah; Schubert, Hartmut; Gerke, Birgit; Pöttgen, Rainer; Wesemann, Lars

    2015-03-16

    The coordination chemistry of cyclic stannylene-based intramolecular Lewis pairs is presented. The P→Sn adducts were treated with [Ni(COD)2] and [Pd(PCy3)2] (COD = 1,5-cyclooctadiene, PCy3 = tricyclohexylphosphine). In the isolated coordination compounds the stannylene moiety acts either as an acceptor or a donor ligand. Examples of a dynamic switch between these two coordination modes of the P-Sn ligand are illustrated and the structures in the solid state together with heteronuclear NMR spectroscopic findings are discussed. In the case of a Ni(0) complex, (119)Sn Mössbauer spectroscopy of the uncoordinated and coordinated phosphastannirane ligand is presented.

  2. Some properties of emission coordinates

    CERN Document Server

    Pozo, J M

    2006-01-01

    4 emitters broadcasting an increasing electromagnetic signal generate a system of relativistic coordinates for the space-time, called emission coordinates. Their physical realization requires an apparatus similar to the one of the Global Navigation Satellite Systems (GNSS). Several relativistic corrections are utilized for the current precisions, but the GNSS are conceived as classical (Newtonian) systems, which has deep implications in the way of operating them. The study of emission coordinates is an essential step in order to develop a fully relativistic theory of positioning systems. This talk presents some properties of emission coordinates. In particular, we characterize how any observer sees a configuration of satellites giving a degenerated system and show that the trajectories of the satellites select a unique privileged observer at each point and, for any observer, a set of 3 orthogonal spatial axes.

  3. Coordination Games on Dynamical Networks

    Directory of Open Access Journals (Sweden)

    Enea Pestelacci

    2010-07-01

    Full Text Available We propose a model in which agents of a population interacting according to a network of contacts play games of coordination with each other and can also dynamically break and redirect links to neighbors if they are unsatisfied. As a result, there is co-evolution of strategies in the population and of the graph that represents the network of contacts. We apply the model to the class of pure and general coordination games. For pure coordination games, the networks co-evolve towards the polarization of different strategies. In the case of general coordination games our results show that the possibility of refusing neighbors and choosing different partners increases the success rate of the Pareto-dominant equilibrium.

  4. Fedosov supermanifolds: II. Normal coordinates

    CERN Document Server

    Geyer, B; Geyer, Bodo; Lavrov, Peter

    2004-01-01

    The study of recently introduced Fedosov supermanifolds is continued. Using normal coordinates, properties of even and odd symplectic supermanifolds endowed with a symmetric connection respecting given sympletic structure are studied.

  5. Surface normals and barycentric coordinates

    Directory of Open Access Journals (Sweden)

    Mullineux Glen

    1996-01-01

    Full Text Available The normal to a triangular parametric surface is investigated where the parameters used are barycentric coordinates. Formulae for the normal are obtained for non-rational and rational surfaces.

  6. Kaluza's theory in generalized coordinates

    CERN Document Server

    García-Perciante, A L; García-Colin, L S; Garcia-Perciante, Ana Laura; Sandoval-Villalbazo, Alfredo

    2001-01-01

    Maxwell's equations can be obtained in generalized coordinates by considering the electromagnetic field as an external agent. The work here presented shows how to obtain the electrodynamics for a charged particle in generalized coordinates eliminating the concept of external force. Based on Kaluza's formalism, the one here presented extends the 5x5 metric into a 6x6 space-time giving enough room to include magnetic monopoles in a very natural way.

  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. CPN Models in General Coordinates

    CERN Document Server

    Barnes, K J

    2002-01-01

    An analysis of CPN models is given in terms of general coordinates or arbitrary interpolating fields.Only closed expressions made from simple functions are involved.Special attention is given to CP2 and CP4. In the first of these the retrieval of stereographic coordinates reveals the hermitian form of the metric. A similar analysis for the latter case allows comparison with the Fubini-Study metric.

  9. Inflation, Growth and Policy Coordination

    OpenAIRE

    Renato E. Reside Jr.; Parantap Basu

    1996-01-01

    The effect of monetary policy on output growth and inflation is examined in a monetary endogenous growth model with an explicit banking sector that intermediates capital. Monetary policy is coordinated with fiscal policy in the sense that all the seigniorage revenue gleaned through the inflation tax is spent to make efficient provision of public services. With the reserve requirement and money growth as instruments, policy coordination implies that one instrument may be solved endogenously wh...

  10. 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’

  11. On the π Coordination of Organometallic Fullerene Complexes

    Directory of Open Access Journals (Sweden)

    Bertha Molina

    2011-06-01

    Full Text Available Novel organometallic complexes of fullerene C80 and aryl ligands were simulated. The nature and characteristics of this family of complexes involving π coordination between the fullerene and a metal centre have been studied from a theoretical point of view. We are particularly interested in complexes where η6 coordination is present, this being the strangest manifestation of known coordinations, and thus we have studied several known and simulated compounds of this kind in order to understand the lack of examples. The presence of other η6 or η5 ligands on the opposite side seems to be an important element aiding the stabilization of these complexes, also inducing the conductive and semiconductive behaviour of the studied species.

  12. Conforming to coordinate: children use majority information for peer coordination.

    Science.gov (United States)

    Grueneisen, Sebastian; Wyman, Emily; Tomasello, Michael

    2015-03-01

    Humans are constantly required to coordinate their behaviour with others. As this often relies on everyone's convergence on the same strategy (e.g., driving on the left side of the road), a common solution is to conform to majority behaviour. In this study, we presented 5-year-old children with a coordination problem: To retrieve some rewards, they had to choose the same of four options as a peer partner--in reality a stooge--whose decision they were unable to see. Before making a choice, they watched a video showing how other children from their partner's peer group had behaved; a majority chose the same option and a minority chose a different one. In a control condition, children watched the same video but could then retrieve the reward irrespective of their partner's choice (i.e., no coordination was necessary). Children followed the majority more often when coordination was required. Moreover, conformers mostly justified their choices by referring to the majority from the video demonstration. This study is the first to show that young children are able to strategically coordinate decisions with peers by conforming to the majority.

  13. Metallogels from Coordination Complexes, Organometallic, and Coordination Polymers.

    Science.gov (United States)

    Dastidar, Parthasarathi; Ganguly, Sumi; Sarkar, Koushik

    2016-09-20

    A supramolecular gel results from the immobilization of solvent molecules on a 3D network of gelator molecules stabilized by various supramolecular interactions that include hydrogen bonding, π-π stacking, van der Waals interactions, and halogen bonding. In a metallogel, a metal is a part of the gel network as a coordinated metal ion (in a discrete coordination complex), as a cross-linking metal node with a multitopic ligand (in coordination polymer), and as metal nanoparticles adhered to the gel network. Although the field is relatively new, research into metallogels has experienced a considerable upsurge owing to its fundamental importance in supramolecular chemistry and various potential applications. This focus review aims to provide an insight into the development of designing metallogelators. Because of the limited scope, discussions are confined to examples pertaining to metallogelators derived from discrete coordination complexes, organometallic gelators, and coordination polymers. This review is expected to enlighten readers on the current development of designing metallogelators of the abovementioned class of molecules. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Gold coordination during homogeneous alkyne and allene cyclisation catalysis: Coordination to substrates, to ancillary ligands and in intermediates

    Directory of Open Access Journals (Sweden)

    Hubert Schmidbaur

    2011-03-01

    Full Text Available The ever-increasing role of homogeneous gold catalysis in organic synthesis and the consequent need to be able to rationally control the rate and outcome of such reactions has emphasised the importance of each successive metal–carbon coordination step. Concentrating on alkyne and allene cyclisation and upon reaction mechanisms postulated on the basis of empirical and theoretical results, we have examined the coordination of gold fragments to triple bonds, the modification of gold(I precatalysts to effect specific reaction pathways or enantioselectivity and the isolation of coordinated intermediates or model compounds thereof. Some of the recent advances that have been made in various laboratories are described in this compact review.

  15. Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(II) adducts with pyridine derivatives

    NARCIS (Netherlands)

    Cvrtila, Ivica; Stilinovic, Vladimir; Kaitner, Branko

    2013-01-01

    In order to study the effects of intramolecular hydrogen bonding on coordination geometry of a relatively rigid octahedral system, eight coordination compounds derived from bis(benzoylacetonato)manganese(II) and seven pyridine derivatives (three of them o-aminopyridines) were prepared. Four compound

  16. Electrode reactions and electroanalysis of organomercury compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kurmaz, Vladimir A [Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow Region (Russian Federation); Gul' tyai, Vadim P [N.D.Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow (Russian Federation)

    2010-06-09

    Characteristic features of mechanisms and kinetics of electrode reactions of organomercury compounds (symmetrical, non-symmetrical) and organomercury salts on a mercury electrode are analyzed. Attention is focused on the effect of coordination, adsorption and the nature and properties of intermediates on these processes as well as on the formation of organomercury derivatives in the adsorption of organic and hetero-organic compounds on a mercury electrode. The kinetics of heterogeneous chemical equilibrium {sup o}rganic calomel{sup -}symmetrical organomercury compound in the adsorption layer and the relative stability of intermediates in the one-electron reduction of organomercury salts are discussed as well as the electrolytic hydrogen evolution catalyzed by organomercury intermediates. The problems of combined and separate electrochemical quantitation of organic and inorganic mercury compounds in natural objects are considered.

  17. Werner coordination chemistry and neurodegeneration.

    Science.gov (United States)

    Telpoukhovskaia, Maria A; Orvig, Chris

    2013-02-21

    Neurodegenerative diseases are capturing the world's attention as being the next set of diseases we must tackle collectively. Not only are the patients experiencing gradual cognitive and physical decline in most cases, but these diseases are fatal with no prevention currently available. As these diseases are progressive, providing care and symptom treatment for the ageing population is becoming both a medical and a financial challenge. This review discusses how Werner coordination chemistry plays a role in three diseases - those of Alzheimer's, Parkinson's, and prions. Metal ions are considered to be involved in these diseases in part via their propensity to cause toxic aggregation of proteins. First, the coordination of metal ions, with emphasis on copper(II), to metalloproteins that are hallmarks of these diseases - amyloid β, α-synuclein, and prion, respectively - will be discussed. We will present the current understanding of the metal coordination environments created by the amino acids of these proteins, as well as metal binding affinity. Second, a diverse set of examples of rationally designed metal chelators to outcompete this deleterious binding will be examined based on coordination mode and affinity toward bio-relevant metal ions. Overall, this review will give a general overview of protein and metal chelator coordination environments in neurodegenerative diseases.

  18. Validation of EXAFS Analysis of Iridium Compounds

    Science.gov (United States)

    Feiters, M. C.; Longo, A.; Banerjee, D.; van der Ham, C. J. M.; Hetterscheid, D. G. H.

    2016-05-01

    Results of iridium L3 edge EXAFS measurements of compounds relevant for water oxidation catalysis are compared to those of other structural techniques. The structural results from EXAFS for the Ir compounds investigated here compare well to those of other structural techniques. Multiple scattering contributions are important in the coordinated Cp* and NHC ligands as well as in the IrCl6 unit and the IrO2 rutile structure. NHC is relatively weak compared to Ir, Cl, and even Cp* and O, and often out of phase with the other contributions.

  19. Coordination of plant mitochondrial biogenesis: keeping pace with cellular requirements.

    Directory of Open Access Journals (Sweden)

    Elina eWelchen

    2014-01-01

    Full Text Available Plant mitochondria are complex organelles that carry out numerous metabolic processes related with the generation of energy for cellular functions and the synthesis and degradation of several compounds. Mitochondria are semiautonomous and dynamic organelles changing in shape, number and composition depending on tissue or developmental stage. The biogenesis of functional mitochondria requires the coordination of genes present both in the nucleus and the organelle. In addition, due to their central role, all processes held inside mitochondria must be finely coordinated with those in other organelles according to cellular demands. Coordination is achieved by transcriptional control of nuclear genes encoding mitochondrial proteins by specific transcription factors that recognize conserved elements in their promoter regions. In turn, the expression of most of these transcription factors is linked to developmental and environmental cues, according to the availability of nutrients, light-dark cycles and warning signals generated in response to stress conditions. Among the signals impacting in the expression of nuclear genes, retrograde signals that originate inside mitochondria help to adjust mitochondrial biogenesis to organelle demands. Adding more complexity, several nuclear encoded proteins are dual localized to mitochondria and either chloroplasts or the nucleus. Dual targeting might establish a crosstalk between the nucleus and cell organelles to ensure a fine coordination of cellular activities. In this article, we discuss how the different levels of coordination of mitochondrial biogenesis interconnect to optimize the function of the organelle according to both internal and external demands.

  20. COCO: Conversion of Celestial Coordinates

    Science.gov (United States)

    Wallace, Patrick

    2014-06-01

    The COCO program converts star coordinates from one system to another. Both the improved IAU system, post-1976, and the old pre-1976 system are supported. COCO can perform accurate transformations between multiple coordinate systems. COCO's user-interface is spartan but efficient and the program offers control over report resolution. All input is free-format, and defaults are provided where this is meaningful. COCO uses SLALIB (ascl:1403.025) and is distributed as part of the Starlink software collection (ascl:1110.012).

  1. 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...... 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...

  2. Hydrothermal Synthesis and Crystal Structure of Manganese(Ⅱ) Coordination Polymer Assembled by 4-Sulfophthalate and 4,4'-Bipyridine

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    @@ Introduction The rational design and synthesis of metal-directed supramolecular framework compounds have received much attention in coordination chemistry because of their potential applications in catalysis, molecular selection, nonlinear optics, ion exchange, and microelectronics[1-4].

  3. 7 CFR 22.201 - Coordination.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Coordination. 22.201 Section 22.201 Agriculture Office of the Secretary of Agriculture RURAL DEVELOPMENT COORDINATION Roles and Responsibilities of Federal Government § 22.201 Coordination. The following identifies types and levels of coordination: (a) Washington...

  4. 15 CFR 923.56 - Plan coordination.

    Science.gov (United States)

    2010-01-01

    ... 15 Commerce and Foreign Trade 3 2010-01-01 2010-01-01 false Plan coordination. 923.56 Section 923... COASTAL ZONE MANAGEMENT PROGRAM REGULATIONS Coordination, Public Involvement and National Interest § 923.56 Plan coordination. (a) The management program must be coordinated with local, areawide,...

  5. 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..., LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination... coordination of these contingency plans with the National Oil and Hazardous Materials Pollution...

  6. 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...

  7. 33 CFR 165.8 - Geographic coordinates.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Geographic coordinates. 165.8... Geographic coordinates. Geographic coordinates expressed in terms of latitude or longitude, or both, are not... 1983 (NAD 83), unless such geographic coordinates are expressly labeled NAD 83. Geographic...

  8. The Convex Coordinates of the Symmedian Point

    Science.gov (United States)

    Boyd, J. N.; Raychowdhury, P. N.

    2006-01-01

    In this note, we recall the convex (or barycentric) coordinates of the points of a closed triangular region. We relate the convex and trilinear coordinates of the interior points of the triangular region. We use the relationship between convex and trilinear coordinates to calculate the convex coordinates of the symmedian point of the triangular…

  9. 78 FR 73819 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-12-09

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of...-18, 2013 meeting of the Forest Resource Coordinating Committee due to the Government partial shutdown... INFORMATION CONTACT: Maya Solomon, Forest Resource Coordinating Committee Program Coordinator; by phone at...

  10. Organolanthanide Compounds Containing Methanesulfonate and Pyrazinamide Ligand in Styrene Polymerization

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The synthesis of organolanthanide compounds identified as LnCp*(MS)2PzA, Ln=Sm, Tb, Yb (MS=methanesulfonate, Cp*=pentamethylcyclopentadienyl, and PzA=pyrazinamide), by the reaction of coordination compounds Ln(MS)3(PzA)4 with NaCp in THF was reported. The complexes were formulated according to elemental analyses, complexometric titration with EDTA (%Ln), and 1H NMR. IR spectroscopy revealed that PzA coordinates with lanthanide(Ⅲ) ions and methanesulfonate coordinates via oxygen atoms in a non-equivalent manner. In preliminary catalytic studies, these compounds were active in styrene polymerization that used MAO as a cocatalyst with an activity of 12.3 kg PS mol Sm-1h-1. Differential scanning calorimetry (DSC) of polystyrene showed that the polymer was mainly atactic.

  11. Diazabutadienes as ligands.I. Compounds of aluminium: coordination of diazabutadienes to Al(CH3)3 and subsequent intramolecular insertion and rearrangement reactions leading to [(CH3)2Al(RNCH(CH3)C(R')=NR)] (R' = H, CH3) and (CH3)2AlRNCH2C(CH3) =NR

    NARCIS (Netherlands)

    Koten, G. van; Klerks, J.M.; Stufkens, D.J.; Vrieze, K.

    1979-01-01

    Reaction of R-N=CH-CH=N-R with [(CH{3}){3}Al]{2} affords the coordination product (CH{3}){3}AlRN=CH-CH=NR (A) for R = 2, 6-(CH{3}){2}C{6}H{3} and 2,4,6(CH{3}){3}C{6}H{2}. For R = 4 ClC{6}H{4}, 4-CH{3}C{6}H{4} and 4-CH{3}OC{6}H{4}, insertion takes place, giving the complexes (CH{3}){2}AlRN-CH(CH{3})-

  12. Coordination Frictions and Job Heterogeneity

    DEFF Research Database (Denmark)

    Kennes, John; le Maire, Christian Daniel

    This paper develops and extends a dynamic, discrete time, job to worker matching model in which jobs are heterogeneous in equilibrium. The key assumptions of this economic environment are (i) matching is directed and (ii) coordination frictions lead to heterogeneous local labor markets. We de- rive...

  13. Terrestrial Coordinate Systems and Frames

    Science.gov (United States)

    Boucher, C.; Murdin, P.

    2000-11-01

    A terrestrial reference system (TRS) is a spatial reference system corotating with the Earth in its DIURNAL MOTION in space. In such a system, the positions of points anchored on the Earth's solid surface have coordinates which have only small variations with time, as a result of geophysical effects (tectonic or tidal deformations; see TECTONICS, EARTH'S INTERIOR, TIDES). A terrestrial reference ...

  14. Archimedes' Principle in General Coordinates

    Science.gov (United States)

    Ridgely, Charles T.

    2010-01-01

    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is…

  15. Coordinated Exploration for Grand Challenges

    DEFF Research Database (Denmark)

    Ørding Olsen, Anders; Sofka, Wolfgang; Grimpe, Christoph

    2016-01-01

    on the acceptance and support of important stakeholders. In this study, we suggest that search consortia are more likely to receive funding when they include representatives of stakeholder concerns, so-called advocacy groups. We extend theory on coordinated exploration in joint search by integrating mechanisms from...

  16. 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 act...

  17. Archimedes' Principle in General Coordinates

    Science.gov (United States)

    Ridgely, Charles T.

    2010-01-01

    Archimedes' principle is well known to state that a body submerged in a fluid is buoyed up by a force equal to the weight of the fluid displaced by the body. Herein, Archimedes' principle is derived from first principles by using conservation of the stress-energy-momentum tensor in general coordinates. The resulting expression for the force is…

  18. Coordinating talk and practical action

    DEFF Research Database (Denmark)

    Oshima, Sae; Streeck, Jürgen

    2015-01-01

    . 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...

  19. Early insulin therapy Coordination Council

    Directory of Open Access Journals (Sweden)

    Marina Vladimirovna Shestakova

    2012-12-01

    Full Text Available Coordination Council has denoted the importance of adherence to Russian and international guidelines and prominent role of insulin therapy in management of type 2 diabetes mellitus (T2DM. Insulin therapy in T2DM preserves endogenous insulin secretion, prevents or decelerates development of microvascular complications and is known to be the most effective glucose-lowering treatment.

  20. Mechanisms that underlie coordination in children with developmental coordination disorder.

    Science.gov (United States)

    O'Brien, Jane Clifford; Williams, Harriet G; Bundy, Anita; Lyons, Jim; Mittal, Amita

    2008-01-01

    The authors examined potential mechanisms underlying motor coordination in children with developmental coordination disorder (DCD). Because children with DCD experience difficulty processing visual, auditory, and vibrotactile information, the authors explored patterns of choice reaction time (RT) in young (6-7 years) and older (9-10 years) children with and without DCD by using a compatibility-incompatibility paradigm and different sensory modalities. Young children responded more slowly than older children to visual, auditory, and vibrotactile stimuli. Children with DCD took longer than typical children to process visual and vibrotactile stimuli under more complex stimulus-response mappings. Young children with DCD responded more slowly than typical children to visual and vibrotactile information under incompatible conditions. Children with DCD responded faster than unaffected children to auditory stimuli. The results suggest that there is a developmental nature in the processing of visual and auditory input and imply that the vibrotactile sensory modality may be key to the motor coordination difficulties of children with DCD.

  1. Solving Einstein's Equations With Dual Coordinate Frames

    CERN Document Server

    Scheel, M A; Lindblom, L; Pfeiffer, H P; Rinne, O; Teukolsky, S A; Kidder, Lawrence E.; Lindblom, Lee; Pfeiffer, Harald P.; Rinne, Oliver; Scheel, Mark A.; Teukolsky, Saul A.

    2006-01-01

    A method is introduced for solving Einstein's equations using two distinct coordinate systems. The coordinate basis vectors associated with one system are used to project out components of the metric and other fields, in analogy with the way fields are projected onto an orthonormal tetrad basis. These field components are then determined as functions of a second independent coordinate system. The transformation to the second coordinate system can be thought of as a mapping from the original ``inertial'' coordinate system to the computational domain. This dual-coordinate method is used to perform stable numerical evolutions of a black-hole spacetime using the generalized harmonic form of Einstein's equations in coordinates that rotate with respect to the inertial frame at infinity; such evolutions are found to be generically unstable using a single rotating coordinate frame. The dual-coordinate method is also used here to evolve binary black-hole spacetimes for several orbits. The great flexibility of this met...

  2. Managing Coordinator, Educational or Entrepreneurial Coordinator: Course Coordinator Profile Analysis at Private HEIS

    Directory of Open Access Journals (Sweden)

    Mariana Augusta de Araújo Silva

    2014-12-01

    Full Text Available Higher Education dynamics is impacted by political, economic and financial interference. In parallel, the Ministry of Education and Culture (MEC is strict in its reviews to ensure Brazilian higher education is appreciated and promoted. The purpose of this study is to identify the profile of Course Coordinators and factors that might improve, at the surveyed HEIs, this professional´s relationship with students, teaching staff and Directors. Literature was searched and reviewed so as to collect subject matter pertaining issues. A quantitative research approach was employed and objectives were of exploratory descriptive nature since this technique ensures extended comprehension of the investigated phenomenon, whilst data was gathered via personal interviews. The object of investigation comprised all Course Coordinators of the Estácio/Natal Group in Brazil´s four units. The survey´s tool comprises: 13 closed questions to identify the Coordinator´s profile; 17 questions with a 5 point Likert score scale to identify the entrepreneurial profile; 42 also resorting to a 5 point Likert score scale to measure the dimensions of the Coordinator´s activities and 4 open, optional questions to measure difficulties and possibilities that impact the development of an entrepreneurial course management approach. The study employed both a statistical method (data analysis and descriptive statistics. Findings lead to the conclusion that information and knowledge gathered support researched HEIs in their overcoming of challenges, amongst which encouraging strategic course management and innovation, focused on implementing a new vision of the Course Coordinator, as professionals that master how to balance management and pedagogical skills, whilst innovating by resorting to entrepreneurial competencies.

  3. Chiral molecular assemblies from a novel achiral amphiphilic 2-(heptadecyl) naphtha[2,3]imidazole through interfacial coordination.

    Science.gov (United States)

    Yuan, Jing; Liu, Minghua

    2003-04-30

    A novel amphiphilic compound 2-(heptadecyl) naphtha[2,3]imidazole (NpImC17) was synthesized, and its coordination with AgNO(3) in situ in the monolayer at the air/water interface and ex situ in the Langmuir-Blodgett (LB) film on solid substrate has been investigated. It has been found that interfacial coordination between NpImC17 and Ag(I) ion occurred both in the monolayer and in the LB film. It is interesting to note that the Ag(I)-coordinated ultrathin film became chiral although the ligand itself is achiral. It was suggested that the chirality of the Ag(I)-coordinated LB film was developed due to the formation of a helical coordination polymer through the interfacial coordination. To the best of our knowledge, this is the first report on the formation of chiral monolayer and LB films from an achiral molecule through interfacial coordination.

  4. Volatile Organic Compounds (VOCs)

    Science.gov (United States)

    ... Contact Us Share Volatile Organic Compounds' Impact on Indoor Air Quality On this page: Introduction Sources Health Effects Levels in Homes Steps to Reduce Exposure Standards or Guidelines Additional Resources Introduction Volatile organic compounds ( ...

  5. Reissert compound of bisbenzimidazole

    OpenAIRE

    1989-01-01

    A Reissert compound of bisbenzimidazole can be formed by first reacting benzimidazole with an aliphatic diacid chloride to form bisbenzimidazole and then reacting the bisbenzimidazole with an aliphatic acid chloride and cyanide to form the Reissert compound thereof.

  6. Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Ling, E-mail: qinling@hfut.edu.cn [Department of Chemical Engineering and Food Processing, Xuancheng Campus, Hefei University of Technology, Xuancheng 242000, Anhui (China); Jiangsu Engineering Technology Research Center of Environmental Cleaning Materials (CEM), School of Environmental Sciences and Engineering, Nanjing University of Information Science and Technology (China); State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang [Department of Chemical Engineering and Food Processing, Xuancheng Campus, Hefei University of Technology, Xuancheng 242000, Anhui (China)

    2016-07-15

    Two zinc coordination polymers {[Zn_2(TPPBDA)(oba)_2]·DMF·1.5H_2O}{sub n} (1), {[Zn(TPPBDA)_1_/_2(tpdc)]·DMF}{sub n} (2) have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. These complexes were characterized by elemental analyses and X-ray single-crystal diffraction analyses. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. These mononuclear or dinuclear cluster units are linked by mix-ligands, resulting in various degrees of interpenetration. In addition, the photoluminescent properties for TPPBDA ligand under different state and coordination polymers have been investigated in detail. - Graphical abstract: Two zinc coordination polymers have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. In addition, the photoluminescent properties for TPPBDA ligand under different status and coordination polymers have been investigated in detail. Display Omitted - Highlights: • Two Zn coordination polymers based on mononuclear or dinuclear cluster units have been synthesized. • Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. • Compound 2 is a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. • The photoluminescent properties for TPPBDA with different state and two coordination polymers have been investigated.

  7. Supply Chain Reorganization and Coordination

    Institute of Scientific and Technical Information of China (English)

    WANG Feng-bin

    2001-01-01

    Three generic forms of governance--hierarchy, hybrid and market are proposed in the newinstitutional economics, giving an abstract description of alternative coordination and control mechanisms forgeneral use. While this theory is known as far away from being operational and specified, a few researchersin the management and organization area are trying to extend Galbraith and/or Mintzberg's organizationaldesign theories into the application of logistical coordination for obtaining a smooth flow of products along thesupply chain within and without the focal organization. In this paper, we present an explorative case study onthe design of various organizational architectures of logistics activities and their relevant coordinationmechanisms, especially internal and external contracts as one new kind of hybrid mechanisms forcoordinating effective supply chains.

  8. [Transplant coordinator: organ donation process].

    Science.gov (United States)

    Gironés-Guillem, Purificación; Camaño-Puig, Ramón; Lillo-Crespo, Manuel

    2014-01-01

    Spain is a leader in organ donations although it seems that this number does not increase in the same proportion that the waiting list and it is necessary to decrease the refusal situations, which are ~16%. Analytic study. We review the reports prepared by the coordinators of transplants archived at the hospital La Fe during the period between May 1, 2004 and December 31, 2007, resulting in conceptualization and categorization. Sixty-nine topics were obtained from the point of view of the family and 11 from the point of view of the interviewer. After its conceptualization, codification and classification, we proceeded to create an appropriate text. Certain guidelines may be offered that allow us to standardize the action of transplant coordinators during the interview and to be more effective.

  9. 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.

  10. 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.

  11. Porphyrin coordination polymer nanospheres and nanorods

    Science.gov (United States)

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

    2013-09-10

    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.

  12. Concept of Compound-Agent and Its Application

    Institute of Scientific and Technical Information of China (English)

    方远; 李继云; 邵世煌; 耿兆丰

    2001-01-01

    The novel concept of Compound-Agent is proposed,which consists of some independent sub-agents that share common beliefs and employ community actions. The Explicit Model of Coordination, which is used in the coordination of the sub-agents of Compound-Agent, is provided. The actions of each sub-agent are rule-based determined, and the rule base can be adjusted on time.The approximate fuzzy reasoning is used to improve the speed of learn and reduce the number of rules, which makes Compound-Agent suitable for real time and dynamic applications. A real application, the design of the control system of flat-knitting machine employing the concept of Compound- Agent, is discussed briefly.

  13. Resolution enhancement in tilted coordinates

    Science.gov (United States)

    Hariri Naghadeh, Diako; Keith Morley, Christopher

    2016-11-01

    Deconvolution is applied to remove source wavelet effects from seismograms. The results are resolution enhancement that enables detection of thin layers. Following enhancement of resolution, low frequency and high angle reflectors, particularly at great depth, appear as low amplitude and semi-invisible reflectors that are difficult to track and pick. A new approach to enhance resolution is introduced that estimates a derivative using continuous wavelet transform in tilted coordinates. The results are compared with sparse spike deconvolution, curvelet deconvolution and inverse quality filtering in wavelet domain. The positive consequence of the new method is to increase sampling of high dip features by changing the coordinate system from Cartesian to tilted. To compare those methods a complex data set was chosen that includes high angle faults and chaotic mass transport complex. Image enhancement using curvelet deconvolution shows a chaotic system as a non-chaotic one. The results show that sparse spike deconvolution and inverse quality filtering in wavelet domain are able to enhance resolution more than curvelet deconvolution especially at great depth but it is impossible to follow steep dip reflectors after resolution enhancement using these methods, especially when their apparent dips are more than 45°. By estimating derivatives in a continuous wavelet transform from tilted data sets similar resolution enhancement as the other deconvolution methods is achieved but additionally steep dipping reflectors are imaged much better than others. Subtracted results of the enhanced resolution data set using new method and the other introduced methods show that steeply dipping reflectors are highlighted as a particular ability of the new method. The results show that high frequency recovery in Cartesian co-ordinate is accompanied by inability to image steeply dipping reflectors especially at great depths. Conversely recovery of high frequency data and imaging of the data

  14. DEVELOPMENTAL COORDINATION DISORDER IN CHILDREN

    Directory of Open Access Journals (Sweden)

    Saeideh MIRAFKHAMI

    2010-04-01

    Full Text Available ObjectiveIn this article, a motor skill disorder called developmental coordination disorder (DCD, that is usually first diagnosed during childhood, is explained and discussed. In the year 1987, DCD was formally recognized as a distinct disorder in children by the American Psychiatric Association  (APA. DCD is a generalized term for the children who have some degrees of impairment in the development of motor coordination and therefore have difficulties with physical skills which significantly interfere with their academic achievements and /or performing everyday activities. As they develop, other age-related tasks are also below average. Because these impairment & conditions are often associated with emotional distress, they can seriously interfere with the person's everyday life and social relationships. Reviews indicate that most of the training rocedures have only a limited effect on the development of general coordination, and that they have no effect at all on academic progress.This includes approaches based on assumed underlying deficiencies such as sensory integration deficits and kinesthetic functioning deficits, as well as the more traditional perceptual - motor training. One new approach is Cognitive Orientation to daily Occupational Performance (CO-OP, based on problem - solving strategies and guided discovery of the child and task specific strategies. The aim of this article was to inform, promote and disseminate more information about some difficulties in applying the diagnostic criteria for DCD. Also, a brief review of the researches on the intervention methods is presented.Keywords: Developmental coordination disorder, Motor skills disorder, Childhood disorder, Intervention methods

  15. 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.

  16. 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.

  17. Direct measurement and modulation of single-molecule coordinative bonding forces in a transition metal complex

    DEFF Research Database (Denmark)

    Hao, Xian; Zhu, Nan; Gschneidtner, Tina

    2013-01-01

    Coordination chemistry has been a consistently active branch of chemistry since Werner's seminal theory of coordination compounds inaugurated in 1893, with the central focus on transition metal complexes. However, control and measurement of metal-ligand interactions at the single-molecule level...... remain a daunting challenge. Here we demonstrate an interdisciplinary and systematic approach that enables measurement and modulation of the coordinative bonding forces in a transition metal complex. Terpyridine is derived with a thiol linker, facilitating covalent attachment of this ligand on both gold...

  18. DEVELOPMENTAL COORDINATION DISORDER IN CHILDREN

    Directory of Open Access Journals (Sweden)

    Saeideh MIRAFKHAMI

    2010-03-01

    Full Text Available ObjectiveIn this article, a motor skill disorder called developmental coordination disorder (DCD, that is usually first diagnosed during childhood, is explained and discussed. In the year 1987, DCD was formally recognized as a distinct disorder in children by the American Psychiatric Association (APA. DCD is a generalized term for the children who have some degrees of impairment in the development of motor coordination and therefore have difficulties with physical skills which significantly interfere with their academic achievements and /or performing everyday activities. As they develop, other age-related tasks are also below average. Because these impairment & conditions are often associated with emotional distress, they can seriously interfere with the person's everyday life and social relationships. Reviews indicate that most of the training rocedures have only a limited effect on the development of general coordination, and that they have no effect at all on academic progress.This includes approaches based on assumed underlying deficiencies such as sensory integration deficits and kinesthetic functioning deficits, as well as the more traditional perceptual - motor training. One new approach is Cognitive Orientation to daily Occupational Performance (CO-OP, based on problem - solving strategies and guided discovery of the child and task specific strategies. The aim of this article was to inform, promote and disseminate more information about some difficulties in applying the diagnostic criteria for DCD. Also, a brief review of the researches on the intervention methods is presented.

  19. Imidazole and Triazole Coordination Chemistry for Antifouling Coatings

    Directory of Open Access Journals (Sweden)

    Markus Andersson Trojer

    2013-01-01

    Full Text Available Fouling of marine organisms on the hulls of ships is a severe problem for the shipping industry. Many antifouling agents are based on five-membered nitrogen heterocyclic compounds, in particular imidazoles and triazoles. Moreover, imidazole and triazoles are strong ligands for Cu2+ and Cu+, which are both potent antifouling agents. In this review, we summarize a decade of work within our groups concerning imidazole and triazole coordination chemistry for antifouling applications with a particular focus on the very potent antifouling agent medetomidine. The entry starts by providing a detailed theoretical description of the azole-metal coordination chemistry. Some attention will be given to ways to functionalize polymers with azole ligands. Then, the effect of metal coordination in azole-containing polymers with respect to material properties will be discussed. Our work concerning the controlled release of antifouling agents, in particular medetomidine, using azole coordination chemistry will be reviewed. Finally, an outlook will be given describing the potential for tailoring the azole ligand chemistry in polymers with respect to Cu2+ adsorption and Cu2+→Cu+ reduction for antifouling coatings without added biocides.

  20. Temperature-controlled Hydrothermal Synthesis of Copper(Ⅰ or Ⅱ) Coordination Polymers via a Variety of Copper Coordination Modes

    Institute of Scientific and Technical Information of China (English)

    QU Xue-jian; WANG Shuang; ZHANG Dao-jun; JING Xue-min; ZHANG Li-rong; LI Guang-hua; HUO Qi-sheng; LIU Yun-ling

    2012-01-01

    Two 1D coordination polymers Cu2Ⅰ(C6N3H4)2(1) and CuⅡ(C6N3H4)2·H2O(2) based on benzotriazole(Bta)were hydrothermally synthesized by controlling the crystallization temperature.Single-crystal X-ray diffraction (XRD) analyses reveal that compound 1 is a 1D tubular structure constructed from two types of 1D chains {—Cu—N=N—N—}n,where the Cu(Ⅰ) ions adopt linear,triangular,and tetrahedral coordination modes to connect two types of Bta ligands via π-π interaction inside the tubular-like chain.For compound 2,the Cu(Ⅱ) ions assume a quadrilateral coordination mode linking to the Bta ligands to give 1D straight chains,which stacks through π-π interactions to construct a 2D layer structure.Further characterizations including elemental analyses,infrared IR spectra,thermogravimetric(TG) analyses and luminescence properties have been done.

  1. Synthesis and characterization of five-coordinated indium amidinates

    Energy Technology Data Exchange (ETDEWEB)

    Riahi, Yasaman

    2016-07-29

    The focus of this work is synthesis, characterization and exploring the reactivity of new indium amidinate compounds of the type R{sub 2}InX (R = R''NCR'NR''; R' = Ph, R'' = SiMe{sub 3}, iPr, dipp; X = Br, Cl) with the coordination number of five and R{sub 3}In (R = Me{sub 3}SiNCPhNSiMe{sub 3}) with the coordination number of six. By using amidinates as chelating ligands the electron deficiency of indium atom will be resolved. Additionally, by using different substituents the study of the different synthesized indium amidinates has become possible. The selected method for the synthesis allows the carbodiimides to react with organolithium compounds to get the corresponding lithium amidinates. Afterwards the resulting lithium amidinates take part in transmetalation reactions with InBr{sub 3} and InCl{sub 3}. The study of the reactivity of indium amidinate complexes including nucleophilic reactions as well as their reduction were also examined. Beside crystal structure analysis, nuclear magnetic resonance spectroscopy as well as elemental analysis has been applied to characterize the compounds.

  2. Coordination of Passive Systems under Quantized Measurements

    NARCIS (Netherlands)

    De Persis, Claudio; Jayawardhana, Bayu

    2012-01-01

    In this paper we investigate a passivity approach to collective coordination and synchronization problems in the presence of quantized measurements and show that coordination tasks can be achieved in a practical sense for a large class of passive systems.

  3. Energy shaping for coordinating internally actuated vehicles

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    This paper considers the stable coordination problem of two vehicles equipping with internal moving mass actuators.The coordinating and stabilizing control are derived by energy shaping. The proposed method is physically motivated and avoids cancelation or domination of nonlinearities.

  4. Penta-coordinated phosphorus structure analysis on kinases

    Institute of Scientific and Technical Information of China (English)

    LI Wu; MA Yuan; ZHAO Yufen

    2004-01-01

    In this paper, based on the known crystal structures of Square Pyramid (SP) and Trigonal Bipyramid (TBP) penta-coordinated phosphorus compounds containing amino acid side chains, such as amino, carboxyl, hydroxyl or thiol, a software designed to survey the P(5)-Structure of phosphorylated proteins. By this software, it was found that 382 of 398 phosphorus-related kinases (96%) from current PDB could go through the penta-coordinated phosphorus transition state or intermediate. For example, in protein 1HE8, amino group in Lysine16was within 3.58 A from the phosphorus atom, and a potential TBP structure consisting GNP2 and Nz could be overlapped with an authentic TBP with an RMSD value of 0.71 A.

  5. Dressed coordinates: The path-integral approach

    Science.gov (United States)

    Casana, R.; Flores-Hidalgo, G.; Pimentel, B. M.

    2007-02-01

    The recently introduced dressed coordinates are studied in the path-integral approach. These coordinates are defined in the context of a harmonic oscillator linearly coupled to massless scalar field and it is shown that in this model the dressed coordinates appear as a coordinate transformation preserving the path-integral functional measure. The analysis also generalizes the sum rules established in a previous work.

  6. Noncommuting Coordinates in the Landau Problem

    OpenAIRE

    Magro, Gabrielle

    2003-01-01

    Basic ideas about noncommuting coordinates are summarized, and then coordinate noncommutativity, as it arises in the Landau problem, is investigated. I review a quantum solution to the Landau problem, and evaluate the coordinate commutator in a truncated state space of Landau levels. Restriction to the lowest Landau level reproduces the well known commutator of planar coordinates. Inclusion of a finite number of Landau levels yields a matrix generalization.

  7. Coordinate Reference System Metadata in Interdisciplinary Environmental Modeling

    Science.gov (United States)

    Blodgett, D. L.; Arctur, D. K.; Hnilo, J.; Danko, D. M.; Rutledge, G. K.

    2011-12-01

    input observational data, further coordinate transformations on data used by a down-workflow modeler can compound issues already in the data's geolocation. This illustrates a basic issue; coordinate reference system metadata is often disregarded on model-input data streams, or (if considered) preserved through processing to be reflected accurately in output. Whether justified for the particular application or not, accounting for datum metadata should be considered to be a requirement for all data to be shared for interdisciplinary science. This paper addresses these issues in two ways: first, to clearly demonstrate the importance of maintaining CRS with input data; and second, to show how the use of current widespread geospatial data standards and practices can be applied almost transparently to many researchers, by insertion of key standard practices as far back in the "food chain" as practical.

  8. 7 CFR 23.3 - Coordination.

    Science.gov (United States)

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Coordination. 23.3 Section 23.3 Agriculture Office of the Secretary of Agriculture STATE AND REGIONAL ANNUAL PLANS OF WORK State Program § 23.3 Coordination... designate an official who will be responsible for the overall coordination of the authorized programs...

  9. 47 CFR 74.638 - Frequency coordination.

    Science.gov (United States)

    2010-10-01

    ... frequency coordinated under this paragraph, the interference protection criteria in 47 CFR 101.105(a), (b), and (c) and the frequency usage coordination procedures in 47 CFR 101.103(d) will apply. (c) For each... 47 Telecommunication 4 2010-10-01 2010-10-01 false Frequency coordination. 74.638 Section...

  10. 47 CFR 87.305 - Frequency coordination.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordination. 87.305 Section 87.305... Flight Test Stations § 87.305 Frequency coordination. (a)(1) Each application for a new station license... prior coordinations and assignments on the proposed frequency(ies). The committee must also...

  11. 47 CFR 27.57 - International coordination.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false International coordination. 27.57 Section 27.57... 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...

  12. 42 CFR 38.1 - Purpose; coordination.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false Purpose; coordination. 38.1 Section 38.1 Public... DISASTER ASSISTANCE FOR CRISIS COUNSELING AND TRAINING § 38.1 Purpose; coordination. (a) Purpose. This part... providing those professional counseling services. (b) Coordination. The Secretary, acting through the...

  13. 45 CFR 98.82 - Coordination.

    Science.gov (United States)

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Coordination. 98.82 Section 98.82 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION CHILD CARE AND DEVELOPMENT FUND Indian Tribes § 98.82 Coordination. Tribal applicants shall coordinate as required by §§ 98.12 and 98.14 and: (a) To...

  14. Construction and minimality of coordinated linear systems

    NARCIS (Netherlands)

    Kempker, P.L.; Ran, A.C.M.; Schuppen, J.H. van

    2014-01-01

    Coordinated linear systems are a particular class of hierarchical systems with a top-to-bottom information structure, consisting of a coordinator system and two or more subsystems. This paper deals with the construction and minimality of coordinated linear systems. Construction procedures are given

  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...

  16. 36 CFR 13.1104 - Coordinates.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Coordinates. 13.1104 Section 13.1104 Parks, Forests, and Public Property NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR... Administrative Provisions § 13.1104 Coordinates. All coordinates referenced in this subpart use horizontal...

  17. 33 CFR 166.103 - Geographic coordinates.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Geographic coordinates. 166.103...) PORTS AND WATERWAYS SAFETY SHIPPING SAFETY FAIRWAYS General § 166.103 Geographic coordinates. Geographic coordinates expressed in terms of latitude or longitude, or both, are not intended for plotting on maps...

  18. 33 CFR 167.3 - Geographic coordinates.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 2 2010-07-01 2010-07-01 false Geographic coordinates. 167.3...) PORTS AND WATERWAYS SAFETY OFFSHORE TRAFFIC SEPARATION SCHEMES General § 167.3 Geographic coordinates. Geographic coordinates are defined using North American 1927 Datum (NAD 27) unless indicated otherwise....

  19. 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’ langu

  20. 78 FR 34035 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-06-06

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee will meet via teleconference every month on... conference call will be posted to the Forest Resource Coordinating Committee Web site, http://www.fs.fed.us...

  1. 78 FR 57128 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-09-17

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee Meeting will meet in Rosslyn, Virginia. The... inspect comments received on the Forest Resource Coordinating Committee Web site at http://www.fs.fed.us...

  2. 78 FR 44519 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-07-24

    ... Office of the Secretary Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice; Re-establishment of the Forest Resource Coordinating Committee and call for nominations. SUMMARY: The Department of Agriculture re-established the Forest Resource Coordinating Committee (Committee...

  3. Is fiscal policy coordination in EMU desirable?

    NARCIS (Netherlands)

    R.M.W.J. Beetsma; X. Debrun; F.J.G.M. Klaassen

    2001-01-01

    'It is widely argued that Europe's unified monetary policy calls for international coordination of fiscal policy. This paper surveys the issues involved with the coordination of fiscal policies as a demand management tool. We discuss ex-ante and ex-post coordination. The former operates through bind

  4. 49 CFR 214.325 - Train coordination.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Train coordination. 214.325 Section 214.325..., 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...

  5. Coordination in serial-parallel image processing

    Science.gov (United States)

    Wójcik, Waldemar; Dubovoi, Vladymyr M.; Duda, Marina E.; Romaniuk, Ryszard S.; Yesmakhanova, Laura; Kozbakova, Ainur

    2015-12-01

    Serial-parallel systems used to convert the image. The control of their work results with the need to solve coordination problem. The paper summarizes the model of coordination of resource allocation in relation to the task of synchronizing parallel processes; the genetic algorithm of coordination developed, its adequacy verified in relation to the process of parallel image processing.

  6. 77 FR 778 - Council Coordination Committee Meeting

    Science.gov (United States)

    2012-01-06

    ... National Oceanic and Atmospheric Administration RIN 0648-XA918 Council Coordination Committee Meeting...), Commerce. ACTION: Notice of a public meeting. SUMMARY: NMFS will host a meeting of the Council Coordination... Reauthorization Act (MSRA) of 2006 established the Council Coordination Committee by amending Section 302 (16...

  7. Surprising coordination for plutonium in the first plutonium(III) borate.

    Science.gov (United States)

    Wang, Shuao; Alekseev, Evgeny V; Depmeier, Wulf; Albrecht-Schmitt, Thomas E

    2011-03-21

    The first plutonium(III) borate, Pu(2)[B(12)O(18)(OH)(4)Br(2)(H(2)O)(3)]·0.5H(2)O, has been prepared by reacting plutonium(III) with molten boric acid under strictly anaerobic conditions. This compound contains a three-dimensional polyborate network with triangular holes that house the plutonium(III) sites. The plutonium sites in this compound are 9- and 10-coordinate and display atypical geometries.

  8. 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.

  9. 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

  10. Geometrical product specifications. Datums and coordinate systems

    Science.gov (United States)

    Glukhov, V. I.; Ivleva, I. A.; Zlatkina, O. Y.

    2017-06-01

    The work is devoted to the relevant topic such as the technical products quality improvement due to the geometrical specifications accuracy. The research purpose is to ensure the quality indicators on the basis of the systematic approach to the values normalization and geometrical specifications accuracy in the workpiece coordinate systems in the process of design. To achieve the goal two tasks are completed such as the datum features classification according to the number of linear and angular freedom degrees constraints, called the datums informativeness, and the rectangular coordinate systems identification, materialized by workpiece datums sets. The datum features informativeness characterizes the datums functional purpose to limit product workpiece linear and angular degrees of freedom. The datum features informativeness numerically coincides with the kinematic pairs classes and couplings in mechanics. The datum features informativeness identifies the coordinate system without the location redundancy. Each coordinate plane of a rectangular coordinate system has different informativeness 3 + 2 + 1. Each coordinate axis also has different informativeness 4+2+Θ (zero). It is possible to establish the associated workpiece position with three linear and three angular coordinates relative to two axes with the informativeness 4 and 2. is higher, the more informativeness of the coordinate axis or a coordinate plane is, the higher is the linear and angular coordinates accuracy, the coordinate being plotted along the coordinate axis or plane. The systematic approach to the geometrical products specifications positioning in coordinate systems is the scientific basis for a natural transition to the functional dimensions of features position - coordinating dimensions and the size of the features form - feature dimensions of two measures: linear and angular ones. The products technical quality improving is possible due to the coordinate systems introduction materialized by

  11. Chemical studies on the nonlinear optics of coordina- tion compounds

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The exploration of molecule-based nonlinear optical (NLO) materials at the molecular level is one of the novel areas developed recently from the viewpoint of chemistry. This review summarizes some of our recent researches on new NLO materials based on coordination compounds, which may have potential applications in optical devices.

  12. High-Performance Fiber Compound Material to be Industrialized

    Institute of Scientific and Technical Information of China (English)

    James H.Zhao

    2008-01-01

    @@ Chinese top planner-State Development and Reform Commission,has decided to organize and coordinate an implementation of a special project for htgh tech industrialization of fiber-feinforced compound materials in 2008 up to 2009.The decision has recently been issued in its national circular(doc.3177,Yr.2007)to call for local enterprises to apply for this special project support.

  13. Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes.

    Science.gov (United States)

    Stevens, Charlotte J; Nichol, Gary S; Arnold, Polly L; Love, Jason B

    2013-12-01

    The new binuclear chromium Pacman complex [Cr2(L)] of the Schiff base pyrrole macrocycle H4L has been synthesized and structurally characterized. Addition of isocyanide, C≡NR (R = xylyl, (t)Bu), or triphenylphosphine oxide donors to [Cr2(L)] gives contrasting chemistry with the formation of the new coordination compounds [Cr2(μ-CNR)(L)], in which the isocyanides bridge the two Cr(II) centers, and [Cr2(OPPh3)2(L)], a Cr(II) phosphine oxide adduct with the ligands exogenous to the cleft.

  14. STABILIZATION OF UNUSUAL SUBSTRATE COORDINATION MODES IN DINUCLEAR MACROCYCLIC COMPLEXES

    Directory of Open Access Journals (Sweden)

    Vasile Lozan

    2010-06-01

    Full Text Available The steric protection offered by the macrobinucleating hexaazaditiophenolate ligand (L allows for the preparation of the first stable dinuclear nickel(II borohydride bridged complex, which reacts rapidly with elemental sulphur producing a tetranuclear nickel(II complex [{(LNi2}2(μ-S6]2+ bearing a helical μ4-hexa- sulfide ligand. The [(LCoII 2]2+ fragment have been able to trap a monomethyl orthomolybdate in the binding pocket. Unusual coordination modes of substrate in dinuclear macrocyclic compounds was demonstrated.

  15. Ecotoxicology of organofluorous compounds.

    Science.gov (United States)

    Murphy, Margaret B; Loi, Eva I H; Kwok, Karen Y; Lam, Paul K S

    2012-01-01

    Organofluorous compounds have been developed for myriad purposes in a variety of fields, including manufacturing, industry, agriculture, and medicine. The widespread use and application of these compounds has led to increasing concern about their potential ecological toxicity, particularly because of the stability of the C-F bond, which can result in chemical persistence in the environment. This chapter reviews the chemical properties and ecotoxicology of four groups of organofluorous compounds: fluorinated refrigerants and propellants, per- and polyfluorinated compounds (PFCs), fluorinated pesticides, and fluoroquinolone antibiotics. These groups vary in their environmental fate and partitioning, but each raises concern in terms of ecological risk on both the regional and global scale, particularly those compounds with long environmental half-lives. Further research on the occurrence and toxicities of many of these compounds is needed for a more comprehensive understanding of their ecological effects.

  16. Centrosymmetric and chiral porous thorium organic frameworks exhibiting uncommon thorium coordination environments.

    Science.gov (United States)

    Li, Yuxiang; Weng, Zhehui; Wang, Yanlong; Chen, Lanhua; Sheng, Daopeng; Liu, Yunhai; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao

    2015-12-28

    The solvothermal reaction of thorium nitrate and tris-(4-carboxylphenyl)phosphine oxide in DMF affords a centrosymmetric porous thorium organic framework compound [Th(TPO)(OH)(H2O)]·8H2O (1). In contrast, the ionothermal reaction of the same reagents in the ionic liquid 1-butyl-2,3-dimethylimidazolium chloride results in the formation of a rare example of a chiral and porous thorium organic framework compound, [C9H17N2][Th(TPO)Cl2]·18H2O (2), which is derived solely from achiral starting materials. The geometries of the Th(iv) centers in compounds 1 and 2 are both atypical for low valent actinides, which can be best described as a ten-coordinate spherical sphenocorona and an irregular muffin, respectively. A large cavity of 17.5 Å (max. face to face) × 8 Å (min. face to face) with a BET surface area of 623 m(2) g(-1) in compound 2 is observed. The poor stability indicated by thermal gravimetric analysis and the water-resistance test for compound 2 may be due to the unique anisotropic coordination geometry for thorium. Temperature-dependent luminescence studies for both compounds indicate that the trends in the intensity vary as the Th-Th distance and the coordination environments of Th(iv) centers change.

  17. Harmonic Vibrational Analysis in Delocalized Internal Coordinates.

    Science.gov (United States)

    Jensen, Frank; Palmer, David S

    2011-01-11

    It is shown that a principal component analysis of a large set of internal coordinates can be used to define a nonredundant set of delocalized internal coordinates suitable for the calculation of harmonic vibrational normal modes. The selection of internal coordinates and the principal component analysis provide large degrees of freedom in extracting a nonredundant set of coordinates, and thus influence how the vibrational normal modes are described. It is shown that long-range coordinates may be especially suitable for describing low-frequency global deformation modes in proteins.

  18. 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....

  19. Ytterbium Coordination Polymer with Four Different Coordination Numbers: The First Structural Characterization of Lanthanide Phthalate Complex

    Institute of Scientific and Technical Information of China (English)

    WAN,Yong-Hong(万永红); JIN,Lin-Pei(金林培); WANG,Ke-Zhi(王科志)

    2002-01-01

    The novel ytterbium coordination polymer is a two-dimensional framework in which the central metal ions have four different coordination numhers and form four kinds of coordination polyhedra. The four kinds of coordination polyhedra connect into infinite chains by sharing oxygen atoms

  20. D Coordinate Transformation Using Artificial Neural Networks

    Science.gov (United States)

    Konakoglu, B.; Cakır, L.; Gökalp, E.

    2016-10-01

    Two coordinate systems used in Turkey, namely the ED50 (European Datum 1950) and ITRF96 (International Terrestrial Reference Frame 1996) coordinate systems. In most cases, it is necessary to conduct transformation from one coordinate system to another. The artificial neural network (ANN) is a new method for coordinate transformation. One of the biggest advantages of the ANN is that it can determine the relationship between two coordinate systems without a mathematical model. The aim of this study was to investigate the performances of three different ANN models (Feed Forward Back Propagation (FFBP), Cascade Forward Back Propagation (CFBP) and Radial Basis Function Neural Network (RBFNN)) with regard to 2D coordinate transformation. To do this, three data sets were used for the same study area, the city of Trabzon. The coordinates of data sets were measured in the ED50 and ITRF96 coordinate systems by using RTK-GPS technique. Performance of each transformation method was investigated by using the coordinate differences between the known and estimated coordinates. The results showed that the ANN algorithms can be used for 2D coordinate transformation in cases where optimum model parameters are selected.

  1. Collaborative Supply Chain Planning and Coordination

    DEFF Research Database (Denmark)

    Wong, Chee Yew

    between the toy manufacturer and three European retailers. These three case studies provide evidences that the toy manufacturer and the retailers followed some particular patterns of planning coordination processes; they also practised some patterns of coordination behaviour during the coordination...... 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......This thesis contains main results from an industrial PhD research in the areas of supply chain strategy, planning, and coordination. It applies the concepts of responsiveness and coordination to reduce mismatch of supply and demand, especially for a volatile and seasonal supply chain. It involves...

  2. Role of the coordination center in photocurrent behavior of a tetrathiafulvalene and metal complex dyad.

    Science.gov (United States)

    Sun, Yong-Gang; Ji, Shu-Fang; Huo, Peng; Yin, Jing-Xue; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie

    2014-03-17

    Small organic molecule-based compounds are considered to be promising materials in photoelectronics and high-performance optoelectronic devices. However, photoelectron conversion research based on functional organic molecule and metal complex dyads is very scarce. We design and prepare a series of compounds containing a tetrathiafulvalene (TTF) moiety substituted with pyridylmethylamide groups of formulas [Ni(acac)2L]·2CH3OH (1), [Cu2I2L2]·THF·2CH3CN (2), and [MnCl2L2]n·2nCH3CH2OH (3) (L = 4,5-bis(3-pyridylmethylamide)-4',5'-bimethylthio-tetrathiafulvalene, acac = acetylacetone) to study the role of the coordination center in photocurrent behavior. Complex 1 is a mononuclear species, and complex 2 is a dimeric species. Complex 3 is a two-dimensional (2-D) coordination polymer. Spectroscopic and electrochemical properties of these complexes indicate that they are electrochemically active materials. The tetrathiafulvalene ligand L is a photoelectron donor in the presence of electron acceptor methylviologen. The effect of metal coordination centers on photocurrent response behavior is examined. The redox-active metal coordination centers should play an important role in improvement of the photocurrent response property. The different morphologies of the electrode films reflect the dimensions in molecular structures of the coordination compounds.

  3. Types of coordination and syntactic complexity in written discourse of younger school age children

    Directory of Open Access Journals (Sweden)

    IvanoviĆ Maja

    2016-01-01

    Full Text Available For a long time influential linguists considered language development to be basically completed by the age of five or six. Consequently, research on school age children and adolescents has been quite rare. However, during the last two decades, considerable effort has been made to understand the nature of writing processes among schoolchildren. The aim of this paper is to explore writing competence of younger school age children by investigating compound sentences and coordinating conjunctions during the production of a written text. The most important thing in learning how to write is the development of a child's ability to produce and understand complex sentences of various kinds. Coordinating conjunctions are useful for connecting sentences, but compound sentences are often overused and traditionally seem to implicate poor syntactic ability. The examinees were divided in 4 age groups (181 pupils. Each examinee wrote 3 essays, so the whole corpus consisted of 543 texts in total. The analysis of the collected material included two levels: first we identified compound sentences and the number of clauses, and then the type of coordination was determined. The obtained results show the number and type of coordinated constructions which pupils from the first to the fourth grade of primary school produce. Also, coordinating conjunctions indicate the higher level of syntactic complexity of the text they are produced in. This research provides a new insight into syntactic competence of younger pupils in primary school.

  4. Coordination Complexes as Inorganic Explosives for Initiation Systems

    Institute of Scientific and Technical Information of China (English)

    依留申 M A; 泽林斯基 I V

    2004-01-01

    The study of the synthesis of coordination compounds in the series of perchlorates of d-metals containing polynitrogen heterocyclic ligands is presented in the following report. The major part of the report is also devoted to the investigations of properties of the compounds obtained and their applications in safe electric and laser detonators.%介绍了含多氮杂环配位体的过氯酸盐系列络合物的合成研究.主要对新合成的化合物进行了性能研究及在安全电雷管和激光雷管的应用研究.

  5. Progress in reIations of zinc compounds with Zn(N2O2)coordination mode and L-theanine-zinc with diabetes meIIitus%Zn(N2O2)型锌配合物及 L-茶氨酸锌与糖尿病关系的研究进展

    Institute of Scientific and Technical Information of China (English)

    万红贵; 彭银成; 黄志旭; 严湘驹

    2014-01-01

    锌及其配合物具有类胰岛素作用,并且生物兼容性强,稳定性好及体内外降糖作用明显。自发现锌化合物具有类胰岛素作用以来,锌配合物及其抗糖尿病作用受到国内外学者的热切关注。锌在体内参与糖类和脂质代谢等生理生化过程,锌及其配合物抗糖尿病作用机制主要包括直接参与胰岛素合成、抗氧化、参与调控酪氨酸蛋白磷酸化酶和提高免疫功能等。具有 Zn(N2 O2)配合型的锌配合物有较好的类胰岛素作用,其中,L-茶氨酸锌是具有天然配基的一类锌配合物,对糖尿病模型小鼠有显著降糖作用,且化学性质稳定,体内吸收快,口服无副作用。本文就锌及其配合物在抗糖尿病应用方面的进展进行综述。%Zinc and its compounds with insulin-like effects have been found to own such properties as strong bio-compatibility,good stability and remarkable hypoglycemic effect. Since the discovery of their insulin-like function,zinc compounds and their anti-diabetic effects have been a geobal focus of research. Zinc ion is involved in physiological and biochemical processes in vivo,such as in carbohy-drate and lipid metabolism. The mechanism of zinc and zinc complexes in anti-diabetic activity are sum-marized in this article,including direct participation in insulin synthesis,antioxidation,involvement in the regulation of tyrosine protein phosphatase,and improving immunity. Zinc complexes with Zn(N2 O2 )have remarkable insulin-like effects. Particularly,the L-theanine-zinc compound,which is a class of zinc com-plexes with natural ligands,has also been found to show significant hypoglycemic effect in an in vivo experiment on KK-Ay mice,have stable chemical properties,be absorbed fast in vivoand be non-toxic with oral administration during model animal experiments. This paper reviews the progress in research on relationships between zinc and its complexes and the anti-diabetic effect.

  6. Recent developments in gold(I) coordination chemistry: luminescence properties and bioimaging opportunities.

    Science.gov (United States)

    Langdon-Jones, Emily E; Pope, Simon J A

    2014-09-18

    The fascinating biological activity of gold coordination compounds has led to the development of a wide range of complexes. The precise biological action of such species is often poorly understood and the ability to map gold distribution in cellular environments is key. This article discusses the recent progress in luminescent Au(I) complexes whilst considering their utility in bioimaging and therapeutics.

  7. A Novel Borophosphate Coordination Polymer with Sandwich-type Supramolecular Architecture

    Institute of Scientific and Technical Information of China (English)

    Mao Feng LI; Heng Zhen SHI; Yong Kui SHAN; Ming Yuan HE

    2004-01-01

    A novel borophosphate (Hmel)3{Co2[(mel)2(HPO4)2(PO4)](H3BO3·H2O} (mel = melamine) has been synthesized under mild solvothermal conditions. The structure of the compound exists a high ordered organic-inorganic sandwich-type supramolecular architecture via metal-coordination, hydrogen bonds and π-π stacking interactions.

  8. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    D. A. Konovalov

    2014-01-01

    Full Text Available Polyacetylenes (polyynes are compounds which contain two or more triple bonds in its structure. About 2 000 different polyacetylenes and biogenetically related substances were identified in 24 families of higher plants. However, most of these compounds were found in seven families of flowering plants: Apiaceae (Umbelliferae, Araliaceae, Asteraceae (Compositae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae. Polyacetylenes are relatively unstable, chemically and biologically active compounds, and present in fungi, microorganisms, marine invertebrates and other organisms except for plants. Acetylenes form distinct specialized group of chemically active natural compounds, which are biosynthesized in plants of unsaturated fatty acids. In addition to widespread aliphatic polyacetylenes thiophenes dithiacyclohexadienes (thiarubrines, thioethers, sulphoxides, sulphones, alkamides, chlorohydrins, lactones, spiroacetal enol ethers, furans, pyrans, tetrahydropyrans, isocoumarins, aromatic acetylenes were also found in plant species. Polyacetylenes are localized in different plant organs, and can be found both individually and as a compound with carbohydrates, terpene, phenolic and other compounds. Many polyacetylenes are found in the composition of the essential oils of plants and it confirms their strongly marked ecological functions. From biological point of view these compounds are often synthesized by plants as toxic or bitter antifeedants, allelopathic compounds, phytoalexins or broadly antibiotic components. Polyynes are strong photosensitizers. They exhibit anti-inflammatory, anti-coagulant, anti-bacterial, antituberculosis, anti-fungal, anti-viral, neuroprotective and neurotoxic activity. Immunostimulatory influence associated with certain allergenicity of some of these substances was established. Therefore, without a doubt polyacetylenes are of interest for the modern pharmacy and medicine.

  9. Determination of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Chao, G.K.J.; Suatoni, J.C.

    1982-01-01

    Details are given of a procedure for separation and identification of phenolic compounds in aqueous solution by high-performance liquid chromatography. It can also be applied to non-aqueous samples after preliminary isolation of a polar fraction containing the phenolic compounds.

  10. Impairments of social motor coordination in schizophrenia.

    Directory of Open Access Journals (Sweden)

    Manuel Varlet

    Full Text Available It has been demonstrated that motor coordination of interacting people plays a crucial role in the success of social exchanges. Abnormal movements have been reported during interpersonal interactions of patients suffering from schizophrenia and a motor coordination breakdown could explain this social interaction deficit, which is one of the main and earliest features of the illness. Using the dynamical systems framework, the goal of the current study was (i to investigate whether social motor coordination is impaired in schizophrenia and (ii to determine the underlying perceptual or cognitive processes that may be affected. We examined intentional and unintentional social motor coordination in participants oscillating hand-held pendulums from the wrist. The control group consisted of twenty healthy participant pairs while the experimental group consisted of twenty participant pairs that included one participant suffering from schizophrenia. The results showed that unintentional social motor coordination was preserved while intentional social motor coordination was impaired. In intentional coordination, the schizophrenia group displayed coordination patterns that had lower stability and in which the patient never led the coordination. A coupled oscillator model suggests that the schizophrenia group coordination pattern was due to a decrease in the amount of available information together with a delay in information transmission. Our study thus identified relational motor signatures of schizophrenia and opens new perspectives for detecting the illness and improving social interactions of patients.

  11. Medicaid Managed Care Structures and Care Coordination.

    Science.gov (United States)

    Gilchrist-Scott, Douglas H; Feinstein, James A; Agrawal, Rishi

    2017-09-01

    Child enrollment in Medicaid managed care (MMC) has expanded dramatically, primarily through state mandates. Care coordination is a key metric in MMC evaluation because it drives much of the proposed cost savings and may be associated with improved health outcomes and utilization. We evaluated the relationships between enrollment in 2 MMC structures, primary care case management (PCCM) and health maintenance organization (HMO) and access to and receipt of care coordination by children. Using data from the 2011/2012 National Survey of Children's Health and the Medicaid Statistical Information System state data mart, we conducted a retrospective, cross-sectional analysis of the relationships between fee-for-service, PCCM or HMO enrollment, and access to and receipt of care coordination. State-level univariate analyses and individual and state multilevel multivariable analyses evaluated correlations between MMC enrollment and care coordination, controlling for demographic characteristics and state financing levels. In univariate and multilevel multivariable analyses, the PCCM penetration rate was significantly associated with increased access to care coordination (adjusted odds ratio: 1.23, P = .034) and receipt of care coordination (adjusted odds ratio: 1.37, P = .02). The HMO penetration rate was significantly associated with lower access to care coordination (adjusted odds ratio: 0.85, P = .05) and receipt of care coordination (adjusted odds ratio: 0.71, P coordination may be more effective in PCCM than HMO structures. States should consider care coordination outcomes when structuring their Medicaid programs. Copyright © 2017 by the American Academy of Pediatrics.

  12. 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...

  13. Tree Formation Using Coordinate Method

    Directory of Open Access Journals (Sweden)

    Monika Choudhary

    2015-06-01

    Full Text Available In this paper we are introducing a new method of tree formation, we propose a coordinate based method by which we can store and access tree structures. As we know in NLP, parsing is the most important module. The output of this module is generally parsed trees. Currently, TAG (Tree Adjoining Grammar is widely used grammar due to its linguistic and formal nature. It is simply tree generating system. The unit structure used in TAG is structured trees. So we used our new method to store trees where we worked on English to Hindi language. We worked on different sentences from English to Hindi, our method is the easiest way to manipulate tree. We have implemented within small corpus and for finite number of structures and further can be extended in future.

  14. PTPRR, cerebellum, and motor coordination.

    Science.gov (United States)

    Schmitt, Ina; Bitoun, Emmanuelle; Manto, Mario

    2009-06-01

    Tyrosine phosphorylation is a powerful mechanism of modulation for proliferation, differentiation, and functioning of neurons. The protein products of the neuronal mouse gene PTPRR are physiological regulators of mitogen-activated protein kinase (MAPK) activities. PTPRR(-/-) mice display deficits of motor coordination and balance skills. PTPRR gene orthologues are found in many vertebrates. Recent observations suggest that the human episodic ataxia 2 (EA2) and spinocerebellar ataxia types 6 (SCA6), 12 (SCA12), and 14 (SCA14) might be associated with impaired phosphorylation levels of cerebellum calcium channels and receptors. The concept that MAPK signaling is a key process in tuning synaptic plasticity in cerebellar circuits is now emerging, with numerous implications for understanding cerebellar functions and cerebellar disorders.

  15. Intercalation compounds involving inorganic layered structures

    Directory of Open Access Journals (Sweden)

    CONSTANTINO VERA R. L.

    2000-01-01

    Full Text Available Two-dimensional inorganic networks can shown intracrystalline reactivity, i.e., simple ions, large species as Keggin ions, organic species, coordination compounds or organometallics can be incorporated in the interlayer region. The host-guest interaction usually causes changes in their chemical, catalytic, electronic and optical properties. The isolation of materials with interesting properties and making use of soft chemistry routes have given rise the possibility of industrial and technological applications of these compounds. We have been using several synthetic approaches to intercalate porphyrins and phthalocyanines into inorganic materials: smectite clays, layered double hydroxides and layered niobates. The isolated materials have been characterized by elemental and thermal analysis, X-ray diffraction, surface area measurements, scanning electronic microscopy, electronic and resonance Raman spectroscopies and EPR. The degree of layer stacking and the charge density of the matrices as well their acid-base nature were considered in our studies on the interaction between the macrocycles and inorganic hosts.

  16. Synthesis and transition metal coordination chemistry of a novel hexadentate bispidine ligand.

    Science.gov (United States)

    Comba, Peter; Rudolf, Henning; Wadepohl, Hubert

    2015-02-14

    Reported is the new bispidine-derived hexadentate ligand (L = 3-(2-methylpyridyl)-7-(bis-2-methylpyridyl)-3,7-diazabicyclo[3.3.1]nonane) with two tertiary amine and four pyridine donor groups. This ligand can form heterodinuclear and mononuclear complexes and, in the mononuclear compounds discussed here, the ligand may coordinate as a pentadentate ligand, with one of the bispyridinemethane-based pyridine groups un- or semi-coordinated, or as a hexadentate ligand, leading to a pentagonal pyramidal coordination geometry or, with an additional monodentate ligand, to a heptacoordinate pentagonal bipyramidal structure. The solution and solid state data presented here indicate that, with the relatively small Cu(II) and high-spin Fe(II) ions the fourth pyridine group is only semi-coordinated for steric reasons and, with the larger high-spin Mn(II) ion genuine heptacoordination is observed but with a relatively large distortion in the pentagonal equatorial plane.

  17. Study on the local atomic structure of germanium in organic germanium compounds by EXAFS

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    Organic germanium compounds have been extensively applied in medicine as tonics,In this paper,the local structures of two organic germanium compounds,carboxyethylgermanium sesquioxide and polymeric germanium glutamate,were determined by EXAFS.The structure parameters including coordination numbers and bond lengths were reported,and possible structure patterns were discussed.

  18. Observing joint action: Coordination creates commitment.

    Science.gov (United States)

    Michael, John; Sebanz, Natalie; Knoblich, Günther

    2016-12-01

    Previous research has shown that interpersonal coordination enhances pro-social attitudes and behavior. Here, we extend this research by investigating whether the degree of coordination observed in a joint action enhances the perception of individuals' commitment to the joint action. In four experiments, participants viewed videos of joint actions. In the low coordination condition, two agents made independent individual contributions to a joint action. In the high coordination condition, the individual contributions were tightly linked. Participants judged whether and for how long the observed agents would resist a tempting outside option and remain engaged in the joint action. The results showed that participants were more likely to expect agents to resist outside options when observing joint actions with a high degree of coordination. This indicates that observing interpersonal coordination is sufficient to enhance the perception of commitment to joint action. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. 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.

  20. Reaction Coordinates and Mechanistic Hypothesis Tests.

    Science.gov (United States)

    Peters, Baron

    2016-05-27

    Reaction coordinates are integral to several classic rate theories that can (a) predict kinetic trends across conditions and homologous reactions, (b) extract activation parameters with a clear physical interpretation from experimental rates, and (c) enable efficient calculations of free energy barriers and rates. New trajectory-based rare events methods can provide rates directly from dynamical trajectories without a reaction coordinate. Trajectory-based frameworks can also generate ideal (but abstract) reaction coordinates such as committors and eigenfunctions of the master equation. However, rates and mechanistic insights obtained from trajectory-based methods and abstract coordinates are not readily generalized across simulation conditions or reaction families. We discuss methods for identifying physically meaningful reaction coordinates, including committor analysis, variational transition state theory, Kramers-Langer-Berezhkovskii-Szabo theory, and statistical inference methods that can use path sampling data to screen, mix, and optimize thousands of trial coordinates. Special focus is given to likelihood maximization and inertial likelihood maximization approaches.

  1. Reaction Coordinates and Mechanistic Hypothesis Tests

    Science.gov (United States)

    Peters, Baron

    2016-05-01

    Reaction coordinates are integral to several classic rate theories that can (a) predict kinetic trends across conditions and homologous reactions, (b) extract activation parameters with a clear physical interpretation from experimental rates, and (c) enable efficient calculations of free energy barriers and rates. New trajectory-based rare events methods can provide rates directly from dynamical trajectories without a reaction coordinate. Trajectory-based frameworks can also generate ideal (but abstract) reaction coordinates such as committors and eigenfunctions of the master equation. However, rates and mechanistic insights obtained from trajectory-based methods and abstract coordinates are not readily generalized across simulation conditions or reaction families. We discuss methods for identifying physically meaningful reaction coordinates, including committor analysis, variational transition state theory, Kramers-Langer-Berezhkovskii-Szabo theory, and statistical inference methods that can use path sampling data to screen, mix, and optimize thousands of trial coordinates. Special focus is given to likelihood maximization and inertial likelihood maximization approaches.

  2. Characteristics of Trivalent Lanthanides in Coordination Chemistry

    Institute of Scientific and Technical Information of China (English)

    Xue Dongfeng(薛冬峰); Zuo Sen(左森); Henryk Ratajczak

    2004-01-01

    Some basic characteristics of lanthanide-oxygen bonds in various trivalent lanthanide metal-organic complexes are quantitatively studied by the bond valence model. Some important relationships among the electronegativity, bond valence parameter, bond length and lanthanide coordination number in these complexes are generally found , which show that for each trivalent lanthanide cation all calculated parameters may well be correlated with its coordination number in their coordination complexes. Specifically,32 new data for the bond valence parameter are first calculated in this work.An approximate linear relationship between the Ln-O bond valence parameter and the coordination number of Ln3+ is obtained.The Ln-O bond length increases with the increase in the lanthanide coordination number.The difference of electronegative values decreases with the increase in the lanthanide coordination number.

  3. Increased coordination in public transport – which mechanisms are available?

    DEFF Research Database (Denmark)

    Sørensen, Claus Hedegaard; Longva, Frode

    2011-01-01

    After several years of New Public Management reforms within public transport, coordination seems to receive increased attention. With examples of actual as well as suggested changes taken from Denmark, Sweden and the UK the aim of the article is to analyse and classify the mechanisms utilized...... and suggested to increase coordination between core stakeholders within passenger railway services and bus services. Four distinctive mechanisms of coordination are suggested, namely organisational coordination, contractual coordination, partnership coordination and discursive coordination. Each coordination...

  4. Managing interteam coordination within and between organizations

    OpenAIRE

    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’ languages, routines, and goals. In this dissertation I examine organizational structures, team composition strategies, and individual team member characteristics that can help to overcome such difficult...

  5. Novel Coordination Chemistry of Aluminum Borohydride

    Science.gov (United States)

    2014-08-01

    four different crystal shapes were identified under a microscope.  Super thin plates are not a preferred crystal shape for X-ray analysis. Anion ...coordination of various ligands. Previously we investigated an IL based upon the [Al(BH4)4]- anion . This material showed a much improved air and...moisture stability compared to ABH. Here we present research on the coordination of the cyanoborohydride anion (NCBH3-) with ABH. The coordination

  6. 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.

  7. Stabilization of coordinated motion for underwater vehicles

    Institute of Scientific and Technical Information of China (English)

    Fan Wu; Zhi-Yong Geng

    2011-01-01

    This paper presents a coordinating and stabilizing control law for a group of underwater vehicles with unstable dynamics. The coordinating law is derived from a potential that only depends on the relative configuration of the underwater vehicles. Being coordinated, the group behaves like one mechanical system with symmetry, and we focus on stabilizing a family of coordinated motions, called relative equilibria. The stabilizing law is derived using energy shaping to stabilize the relative equilibria which involve each vehicle translating along its longest (unstable) axis without spinning,while maintaining a relative configuration within the group.The proposed control law is physically motivated and avoids the linearization or cancellation of nonlinearities.

  8. X-Ray Absorption Spectroscopy of Strontium(II) Coordination.

    Science.gov (United States)

    O'Day; Newville; Neuhoff; Sahai; Carroll

    2000-02-15

    Detailed analyses of crystalline, hydrated, and precipitated strontium compounds and an aqueous strontium solution by synchrotron extended X-ray absorption fine structure (EXAFS) were used to quantify local thermal and static disorder and to characterize strontium coordination in a variety of oxygen-ligated bonding environments. Analysis of anharmonic vibrational disorder (i.e., significant contribution from a third cumulant term (C(3)) in the EXAFS phase-shift function) in compounds with low and high static disorder around strontium showed that first-shell anharmonic contributions were generally not significant above experimental error in the EXAFS fits (R+/-0.02 Å with and without C(3)). The only case in which a significant apparent decrease in Sr-O distance was observed with increasing temperature, and for which a third cumulant term was significant, was for dilute strontium in aqueous solution. Empirical parameterization of Debye-Waller factor (sigma(2)) for strontium compounds as a function of backscatterer atomic number (Z), interatomic Sr-Z distance, and temperature of spectral data collection showed systematic increases in sigma(2) as a function of increasing temperature and Sr-Z bond length. At values of sigma(2) greater than approximately 0.025 Å(2) (for N3 Å), backscattering was generally not significant above noise levels in spectra of compounds of known crystal structure. Comparison of the EXAFS spectra of freshly precipitated SrCO(3) (spectra collected wet) to that of dry, powdered strontianite (SrCO(3)(s)) indicated no significant differences in the local atomic structure around strontium. Analysis of partially hydrated strontium in natural Ca-zeolite (heulandite) showed that strontium is substituted only in the calcium (Ca2) site. Backscattering from aluminum and silicon atoms in the zeolite framework were apparent in the EXAFS spectra at low and room temperature at distances from central strontium of strontium structural coordination determined

  9. Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

    Science.gov (United States)

    Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing

    2016-10-01

    Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg2+, Ca2+ and Ba2+) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO)4, which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (44·62)3(49·66)2. The calcium compound consists of 1D infinite "Ca-O" inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D "Ba-O" inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions' influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies.

  10. Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(II) adducts with pyridine derivatives

    NARCIS (Netherlands)

    Cvrtila, Ivica; Stilinovic, Vladimir; Kaitner, Branko

    2013-01-01

    In order to study the effects of intramolecular hydrogen bonding on coordination geometry of a relatively rigid octahedral system, eight coordination compounds derived from bis(benzoylacetonato)manganese(II) and seven pyridine derivatives (three of them o-aminopyridines) were prepared. Four

  11. MEA 86 Compound data

    Data.gov (United States)

    U.S. Environmental Protection Agency — This data file contains the full raw parameter data for the 86 compounds tested in the developmental MEA assay, as well as Area Under the Curve (AUC) calculations...

  12. Compound Semiconductor Radiation Detectors

    CERN Document Server

    Owens, Alan

    2012-01-01

    Although elemental semiconductors such as silicon and germanium are standard for energy dispersive spectroscopy in the laboratory, their use for an increasing range of applications is becoming marginalized by their physical limitations, namely the need for ancillary cooling, their modest stopping powers, and radiation intolerance. Compound semiconductors, on the other hand, encompass such a wide range of physical and electronic properties that they have become viable competitors in a number of applications. Compound Semiconductor Radiation Detectors is a consolidated source of information on all aspects of the use of compound semiconductors for radiation detection and measurement. Serious Competitors to Germanium and Silicon Radiation Detectors Wide-gap compound semiconductors offer the ability to operate in a range of hostile thermal and radiation environments while still maintaining sub-keV spectral resolution at X-ray wavelengths. Narrow-gap materials offer the potential of exceeding the spectral resolutio...

  13. Heart testing compound

    Science.gov (United States)

    Knapp, F.F. Jr.; Goodman, M.M.

    1983-06-29

    The compound 15-(p-(/sup 125/I)-iodophenyl)-6-tellurapentadecanoic acid is disclosed as a myocardial imaging agent having rapid and pronounced uptake, prolonged myocardial retention, and low in vivo deiodination.

  14. Polynitramino compounds outperform PETN.

    Science.gov (United States)

    Joo, Young-Hyuk; Shreeve, Jean'ne M

    2010-01-07

    New polynitramino compounds were synthesized and fully characterized using IR and multinuclear ((1)H, (13)C, (15)N) NMR spectroscopy, and elemental analysis as well as single-crystal X-ray diffraction.

  15. Haptic feedback helps bipedal coordination.

    Science.gov (United States)

    Roelofsen, Eefje G J; Bosga, Jurjen; Rosenbaum, David A; Nijhuis-van der Sanden, Maria W G; Hullegie, Wim; van Cingel, Robert; Meulenbroek, Ruud G J

    2016-10-01

    The present study investigated whether special haptic or visual feedback would facilitate the coordination of in-phase, cyclical feet movements of different amplitudes. Seventeen healthy participants sat with their feet on sliding panels that were moved externally over the same or different amplitudes. The participants were asked to generate simultaneous knee flexion-extension movements, or to let their feet be dragged, resulting in reference foot displacements of 150 mm and experimental foot displacements of 150, 120, or 90 mm. Four types of feedback were given: (1) special haptic feedback, involving actively following the motions of the sliders manipulated by two confederates, (2) haptic feedback resulting from passive motion, (3) veridical visual feedback, and (4) enhanced visual feedback. Both with respect to amplitude assimilation effects, correlations and standard deviation of relative phase, the results showed that enhanced visual feedback did not facilitate bipedal independence, but haptic feedback with active movement did. Implications of the findings for movement rehabilitation contexts are discussed.

  16. Thermodynamics of Organic Compounds

    Science.gov (United States)

    1979-01-01

    General Techniques for Combustion of Liquid/Soli. Organic Compounds by Oxygen Bomb Calorimetry by Arthur J. Head, William D. Good, and Ccrnelius...Mosselman, Chap. 8; Combustion of Liquid/Solid Organic Compounds with Non-Metallic Hetero-Atoms by Arthur J. Head and William D. Good, Chap. 9; in...0 Box 95085 Washington, DC 20234 Los Angeles, CA 90045 National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University

  17. Compound composite odontoma.

    Science.gov (United States)

    Girish, G; Bavle, Radhika M; Singh, Manish Kumar; Prasad, Sahana N

    2016-01-01

    The term odontoma has been used as a descriptor for any tumor of odontogenic origin. It is a growth in which both epithelial and mesenchymal cells exhibits complete differentiation. Odontomas are considered as hamartomas rather than true neoplasm. They are usually discovered on routine radiographic examination. Odontomas, according to the World Health Organization, are classified into complex odontoma and compound odontomas. The present paper reports a case of compound composite odontomas.

  18. Compound composite odontoma

    Directory of Open Access Journals (Sweden)

    G Girish

    2016-01-01

    Full Text Available The term odontoma has been used as a descriptor for any tumor of odontogenic origin. It is a growth in which both epithelial and mesenchymal cells exhibits complete differentiation. Odontomas are considered as hamartomas rather than true neoplasm. They are usually discovered on routine radiographic examination. Odontomas, according to the World Health Organization, are classified into complex odontoma and compound odontomas. The present paper reports a case of compound composite odontomas.

  19. Chemistry of peroxide compounds

    Science.gov (United States)

    Volnov, I. I.

    1981-01-01

    The history of Soviet research from 1866 to 1967 on peroxide compounds is reviewed. This research dealt mainly with peroxide kinetics, reactivity and characteristics, peroxide production processes, and more recently with superoxides and ozonides and emphasis on the higher oxides of group 1 and 2 elements. Solid state fluidized bed synthesis and production of high purity products based on the relative solubilities of the initial, intermediate, and final compounds and elements in liquid ammonia are discussed.

  20. Phenolic Molding Compounds

    Science.gov (United States)

    Koizumi, Koji; Charles, Ted; de Keyser, Hendrik

    Phenolic Molding Compounds continue to exhibit well balanced properties such as heat resistance, chemical resistance, dimensional stability, and creep resistance. They are widely applied in electrical, appliance, small engine, commutator, and automotive applications. As the focus of the automotive industry is weight reduction for greater fuel efficiency, phenolic molding compounds become appealing alternatives to metals. Current market volumes and trends, formulation components and its impact on properties, and a review of common manufacturing methods are presented. Molding processes as well as unique advanced techniques such as high temperature molding, live sprue, and injection/compression technique provide additional benefits in improving the performance characterisitics of phenolic molding compounds. Of special interest are descriptions of some of the latest innovations in automotive components, such as the phenolic intake manifold and valve block for dual clutch transmissions. The chapter also characterizes the most recent developments in new materials, including long glass phenolic molding compounds and carbon fiber reinforced phenolic molding compounds exhibiting a 10-20-fold increase in Charpy impact strength when compared to short fiber filled materials. The role of fatigue testing and fatigue fracture behavior presents some insight into long-term reliability and durability of glass-filled phenolic molding compounds. A section on new technology outlines the important factors to consider in modeling phenolic parts by finite element analysis and flow simulation.

  1. New form of geodetic coordinate system taking two length quantity as coordinate parameters

    Institute of Scientific and Technical Information of China (English)

    Yimin SHI; Ziyang ZHU; Yeming FAN

    2009-01-01

    A new form of geodetic coordinate system based on geodesic coordinates instead of geodetic long-itude and latitude was proposed. The vertical and horizontal geodesic coordinates measured with length were defined as coordinate parameters, but the two families of coordinate curves were still meridians and parallel circles. The first fundamental form on the ellipsoidal surface and its three coefficients were deduced by the geodesic coordinate. The formula for the latitudinal scale factor of length for geodetic parallel lines was derived, by which the obtained result conformed to that standard value calculated from geodetic latitude, and it is applicable in the range of 400 km from north to south. Therefore, it lays the foundation for establishing the differential equation and differential relationship based on this type of coordinate parameters; and consequently, it is convenient and accurate enough to operate on the ellipsoidal surface in this new form of geodetic coordinate system.

  2. Bringing an "old" biological buffer to coordination chemistry: new 1D and 3D coordination polymers with [Cu(4)(Hbes)(4)] cores for mild hydrocarboxylation of alkanes.

    Science.gov (United States)

    Kirillov, Alexander M; Coelho, Jaime A S; Kirillova, Marina V; da Silva, M Fátima C Guedes; Nesterov, Dmytro S; Gruenwald, Katrin R; Haukka, Matti; Pombeiro, Armando J L

    2010-07-19

    New water-soluble 1D and 3D Cu(II)/Na coordination polymers 1-3 bearing unprecedented [Cu(4)(Hbes)(4)] cores have been easily generated by aqueous-medium self-assembly and fully characterized, thus opening up the use of the common biological buffer H(3)bes, (HO(3)SCH(2)CH(2))N(CH(2)CH(2)OH)(2), in synthetic coordination chemistry. Apart from representing the first isolated and structurally characterized coordination compounds derived from H(3)bes, 1-3 show a remarkable promoting effect in the mild aqueous-medium hydrocarboxylation, by CO and H(2)O, of gaseous alkanes (C(3)H(8) and n-C(4)H(10)) to the corresponding carboxylic acids, which are obtained in up to 95% yields based on the alkane.

  3. [The coordination of care in health centres].

    Science.gov (United States)

    Ribardière, Olivia

    2016-06-01

    Health centres are structurally designed to facilitate the coordination of care. However, evolutions in society have resulted in forms of consumption of health care which are not necessarily compatible with efficient care coordination. On a local level, teams are nevertheless organising and structuring themselves to offer the right form of care, to the right patient and at the right time.

  4. 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,…

  5. 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...

  6. 28 CFR 42.412 - Coordination.

    Science.gov (United States)

    2010-07-01

    ... General Guidelines, 28 CFR 50.3, the Assistant Attorney General may issue such directives and take such... 28 Judicial Administration 1 2010-07-01 2010-07-01 false Coordination. 42.412 Section 42.412... PROCEDURES Coordination of Enforcement of Non-discrimination in Federally Assisted Programs §...

  7. 33 CFR 273.18 - Clearinghouse coordination.

    Science.gov (United States)

    2010-07-01

    ... 33 Navigation and Navigable Waters 3 2010-07-01 2010-07-01 false Clearinghouse coordination. 273.18 Section 273.18 Navigation and Navigable Waters CORPS OF ENGINEERS, DEPARTMENT OF THE ARMY, DEPARTMENT OF DEFENSE AQUATIC PLANT CONTROL § 273.18 Clearinghouse coordination. Procedures prescribed...

  8. 29 CFR 1405.6 - Program coordination.

    Science.gov (United States)

    2010-07-01

    ... 29 Labor 4 2010-07-01 2010-07-01 false Program coordination. 1405.6 Section 1405.6 Labor Regulations Relating to Labor (Continued) FEDERAL MEDIATION AND CONCILIATION SERVICE PART-TIME EMPLOYMENT Part-time Employment Program § 1405.6 Program coordination. The Director of Personnel is designated the...

  9. 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...

  10. 42 CFR 2a.3 - Application; coordination.

    Science.gov (United States)

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false Application; coordination. 2a.3 Section 2a.3 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL PROVISIONS PROTECTION OF IDENTITY-RESEARCH SUBJECTS § 2a.3 Application; coordination. (a) Any person engaged in (or who intends...

  11. 44 CFR 60.26 - Local coordination.

    Science.gov (United States)

    2010-10-01

    ... 44 Emergency Management and Assistance 1 2010-10-01 2010-10-01 false Local coordination. 60.26 Section 60.26 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY, DEPARTMENT OF... Flood-Related Erosion-Prone Areas § 60.26 Local coordination. (a) Local flood plain, mudslide...

  12. 47 CFR 78.36 - Frequency coordination.

    Science.gov (United States)

    2010-10-01

    ... in 47 CFR 101.105(a), (b), and (c) and the following frequency usage coordination procedures will... fixed satellite service, applicants must also comply with the requirements of 47 CFR 101.21(f). In... 47 Telecommunication 4 2010-10-01 2010-10-01 false Frequency coordination. 78.36 Section...

  13. 36 CFR 222.33 - Management coordination.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 2 2010-07-01 2010-07-01 false Management coordination. 222.33 Section 222.33 Parks, Forests, and Public Property FOREST SERVICE, DEPARTMENT OF AGRICULTURE RANGE MANAGEMENT Management of Wild Free-Roaming Horses and Burros § 222.33 Management coordination. All...

  14. 23 CFR 810.8 - Coordination.

    Science.gov (United States)

    2010-04-01

    ... 23 Highways 1 2010-04-01 2010-04-01 false Coordination. 810.8 Section 810.8 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION PUBLIC TRANSPORTATION MASS TRANSIT AND SPECIAL USE HIGHWAY PROJECTS General § 810.8 Coordination. The Federal Highway Administrator and the Urban...

  15. 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...

  16. 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...

  17. 20 CFR 631.83 - Coordination.

    Science.gov (United States)

    2010-04-01

    ... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Coordination. 631.83 Section 631.83 Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR PROGRAMS UNDER TITLE III OF THE JOB TRAINING PARTNERSHIP ACT Disaster Relief Employment Assistance § 631.83 Coordination. Funds made...

  18. 47 CFR 95.1111 - Frequency coordination.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordination. 95.1111 Section 95.1111 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1111 Frequency coordination....

  19. 47 CFR 80.513 - Frequency coordination.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordination. 80.513 Section 80.513 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES STATIONS IN THE MARITIME SERVICES Private Coast Stations and Marine Utility Stations § 80.513 Frequency coordination....

  20. 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

  1. Guidelines for the Practice of Parenting Coordination

    Science.gov (United States)

    American Psychologist, 2012

    2012-01-01

    Parenting coordination is a nonadversarial dispute resolution process that is court ordered or agreed on by divorced and separated parents who have an ongoing pattern of high conflict and/or litigation about their children. These guidelines are designed to address the developing area of practice known as parenting coordination. In response to the…

  2. 15 CFR 990.14 - Coordination.

    Science.gov (United States)

    2010-01-01

    ... 15 Commerce and Foreign Trade 3 2010-01-01 2010-01-01 false Coordination. 990.14 Section 990.14 Commerce and Foreign Trade Regulations Relating to Commerce and Foreign Trade (Continued) NATIONAL OCEANIC... DAMAGE ASSESSMENTS Introduction § 990.14 Coordination. (a) Trustees. (1) If an incident affects the...

  3. Advanced Coordinating Control System for Power Plant

    Institute of Scientific and Technical Information of China (English)

    WU Peng; WEI Shuangying

    2006-01-01

    The coordinating control system is popular used in power plant. This paper describes the advanced coordinating control by control methods and optimal operation, introduces their principals and features by using the examples of power plant operation. It is wealthy for automation application in optimal power plant operation.

  4. A coordination language for mobile components

    NARCIS (Netherlands)

    Arbab, F.; Bonsangue, M.M.; Boer, F.S. de

    1999-01-01

    Abstract In this paper we present the sigmapi coordination language, a core language for specifying dynamic networks of components. The language is inspired by the Manifold coordination language and by the pi-calculus. The main concepts of the language are components, classes, objects

  5. Enhancing Service Coordination Knowledge through Professional

    Science.gov (United States)

    Childress, Dana C.; Raver, Sharon A.; Michalek, Anne M. P.; Wilson, Corinne L.

    2013-01-01

    All eligible infants and toddlers who receive early intervention services under Part C of Individuals with Disabilities Education Act are entitled to service coordination. To examine the effectiveness of one state's service coordination training and its impact on knowledge and skill development, a pretest--posttest design with follow-up survey was…

  6. Development of Coordination in Time Estimation

    Science.gov (United States)

    Kiefer, Adam W.; Wallot, Sebastian; Gresham, Lori J.; Kloos, Heidi; Riley, Michael A.; Shockley, Kevin; Van Orden, Guy

    2014-01-01

    How to best characterize cognitive development? The claim put forward in this article is that development is the improvement of a kind of coordination among a variety of factors. To determine the development of coordination in a cognitive task, children between 4 and 12 years of age and adults participated in a time estimation task: They had to…

  7. Motor Coordination and Intelligence Level in Adolescents

    Science.gov (United States)

    Planinsec, Jurij; Pisot, Rado

    2006-01-01

    This study investigated the relationship between motor coordination and intelligence level in adolescents. The sample was comprised of 550 adolescents from Slovenia, aged 13.1 years (SD = 0.87), who attended elementary schools. For assessment of motor coordination a battery of eight tests were used. Assessment of intelligence was carried out with…

  8. 77 FR 260 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2012-01-04

    ...; ] DEPARTMENT OF AGRICULTURE Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of call for nominations. SUMMARY: The Forest Resource Coordinating Committee (FRCC) is filling eight vacant positions. Candidates who wish to be considered for membership on the Forest Resource...

  9. 78 FR 6806 - Forest Resource Coordinating Committee

    Science.gov (United States)

    2013-01-31

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Committee Meeting will meet in Arlington, Va. The committee is... copying. The public may inspect comments received on the Forest Resource Coordinating Committee Web site...

  10. 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...

  11. 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)

  12. Guidelines for the Practice of Parenting Coordination

    Science.gov (United States)

    American Psychologist, 2012

    2012-01-01

    Parenting coordination is a nonadversarial dispute resolution process that is court ordered or agreed on by divorced and separated parents who have an ongoing pattern of high conflict and/or litigation about their children. These guidelines are designed to address the developing area of practice known as parenting coordination. In response to the…

  13. Enhancing Service Coordination Knowledge through Professional

    Science.gov (United States)

    Childress, Dana C.; Raver, Sharon A.; Michalek, Anne M. P.; Wilson, Corinne L.

    2013-01-01

    All eligible infants and toddlers who receive early intervention services under Part C of Individuals with Disabilities Education Act are entitled to service coordination. To examine the effectiveness of one state's service coordination training and its impact on knowledge and skill development, a pretest--posttest design with follow-up…

  14. 36 CFR 72.48 - Federal coordination.

    Science.gov (United States)

    2010-07-01

    ... 36 Parks, Forests, and Public Property 1 2010-07-01 2010-07-01 false Federal coordination. 72.48 Section 72.48 Parks, Forests, and Public Property NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR URBAN... and Innovation § 72.48 Federal coordination. Applicants requesting UPARR assistance under one of the...

  15. Rhythmic coordination dynamics in children with and without a developmental coordination disorder

    NARCIS (Netherlands)

    Volman, Michiel Joannes Maria

    1997-01-01

    The aim of the present thesis is to examine the intrinsic dynamics of rhythmic coordinated actions in children with and without DCD by testing the stability of these patterns. Two basically different coordination systems are examined, namely, rhythmic interlimb coordination and rhythmic

  16. Rhythmic coordination dynamics in children with and without a developmental coordination disorder

    NARCIS (Netherlands)

    Volman, Michiel Joannes Maria

    1997-01-01

    The aim of the present thesis is to examine the intrinsic dynamics of rhythmic coordinated actions in children with and without DCD by testing the stability of these patterns. Two basically different coordination systems are examined, namely, rhythmic interlimb coordination and rhythmic perception-a

  17. Relational Coordination in Danish General Practice

    DEFF Research Database (Denmark)

    Lundstrøm, Sanne Lykke

    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....... 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...

  18. Scalable Social Coordination using Enmeshed Queries

    CERN Document Server

    Chen, Jianjun; Varghese, George

    2012-01-01

    Social coordination allows users to move beyond awareness of their friends to efficiently coordinating physical activities with others. While specific forms of social coordination can be seen in tools such as Evite, Meetup and Groupon, we introduce a more general model using what we call {\\em enmeshed queries}. An enmeshed query allows users to declaratively specify an intent to coordinate by specifying social attributes such as the desired group size and who/what/when, and the database returns matching queries. Enmeshed queries are continuous, but new queries (and not data) answer older queries; the variable group size also makes enmeshed queries different from entangled queries, publish-subscribe systems, and dating services. We show that even offline group coordination using enmeshed queries is NP-hard. We then introduce efficient heuristics that use selective indices such as location and time to reduce the space of possible matches; we also add refinements such as delayed evaluation and using the relative...

  19. 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...... resources. We have therefore studied virtual meetings among the managers of a cross-organizational and cross-border joint venture who was highly dedicated to multimodal communication. Since coordination is most clearly noticeable when it is lacking, we investigated knowledge coordination by analyzing...... 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...

  20. Learning and coordinating in a multilayer network

    CERN Document Server

    Lugo, Haydee

    2014-01-01

    We introduce a two layer network model for social coordination incorporating two relevant ingredients: a) different networks of interaction to learn and to obtain a payoff , and b) decision making processes based both on social and strategic motivations. Two populations of agents are distributed in two layers with intralayer learning processes and playing interlayer a coordination game. We find that the skepticism about the wisdom of crowd and the local connectivity are the driving forces to accomplish full coordination of the two populations, while polarized coordinated layers are only possible for all-to-all interactions. Local interactions also allow for full coordination in the socially efficient Pareto-dominant strategy in spite of being the riskier one.

  1. 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...

  2. Defining Service Coordination: A Social Work Perspective.

    Science.gov (United States)

    Bunger, Alicia C

    2010-10-01

    To address fragmentation, social workers are encouraged to "coordinate." This pilot study explores the meaning of, and factors that facilitate or prevent "coordination" and is intended as a first step toward future conceptual refinement, theory development, and system interventions. Using data from treatment guidelines archived by the National Guideline Clearinghouse (n=9) and semi-structured interviews with social workers (n=4), themes related to the definition, indicators, and perceptions of coordination were explored using a grounded theory approach. Data suggest the need for coordination is driven by complex client needs, but the quality of providers' personal relationships influence coordination. Future research might examine the impact of standardization of roles, referral procedures, and treatment philosophies.

  3. Nomenclature of chemical compounds

    Directory of Open Access Journals (Sweden)

    Karolina Kaczmarek

    2009-01-01

    Full Text Available This article presents the mechanisms of the inorganic chemistry nomenclature formation in French language. It shows the structure and the way of presenting the names of chemical compounds either descriptively or by giving the structural formulas’ characteristics, their transcription and order of reading the letters. The text specifies the rules of naming a chemical compound, according to the criteria of IUPAC (Union of Pure and Applied Chemistry, the organisation responsible for digesting the chemical nomenclature. The article contains the transcription chart and the manner of reading the structural formula, also called latero-numerical. Additionally, there is information conceming the usage of the common names given, still remaining in use next to the names compatible with those of IUPAC. Particular types of chemical compounds have served as models for description of other nomenclature formation rules from the simplest structures to the complicated compound ones. A short summary presents the relations and similarities between the names of particular types of chemical compounds.

  4. Increased coordination in public transport – which mechanisms are available?

    DEFF Research Database (Denmark)

    Sørensen, Claus Hedegaard; Longva, Frode

    2011-01-01

    mechanism has its strengths and failures. The article also debates to what extent the mechanisms conflict with three core characteristics of New Public Management: Unbundling of the public sector into corporatized units; more contract-based competitive provision; and greater emphasis on output controls....... and suggested to increase coordination between core stakeholders within passenger railway services and bus services. Four distinctive mechanisms of coordination are suggested, namely organisational coordination, contractual coordination, partnership coordination and discursive coordination. Each coordination...

  5. Synthesis and Characterization of 5- and 6- Coordinated Alkali Pertechnetates

    Energy Technology Data Exchange (ETDEWEB)

    Weaver, Jamie; Soderquist, Chuck; Gassman, Paul; Walter, Eric; Lukens, Wayne; McCloy, John S.

    2017-01-01

    The local chemistry of technetium-99 (99Tc) in oxide glasses is important for understanding the incorporation and long-term release of Tc from nuclear waste glasses, both those for legacy defense wastes and fuel reprocessing wastes. Tc preferably forms Tc(VII), Tc(IV), or Tc(0) in glass, depending on the level of reduction of the melt. Tc(VII) in oxide glasses is normally assumed to be isolated pertechnetate TcO4-anions surrounded by alkali, but can occasionally precipitate as alkali pertechnetate salts such as KTcO4and NaTcO4when Tc concentration is high. In these cases, Tc(VII) is 4-coordinated by oxygen. A reinvestigation of the chemistry of alkali-technetium-oxides formed under oxidizing conditions and at temperatures used to prepare nuclear waste glasses showed that higher coordinated alkali Tc(VII) oxide species had been reported, including those with the TcO5-and TcO6-anions. The chemistry of alkali Tc(VII) and other alkali-Tc-oxides is reviewed, along with relevant synthesis conditions.

    Additionally, we report attempts to make 5- and 6-coordinate pertechnetate compounds of K, Na, and Li, i.e. TcO5-and TcO6-. It was found that higher coordinated species are very sensitive to water, and easily decompose into their respective pertechnetates. It was difficult to obtain pure compounds, but mixtures of the pertechnetate and other phase(s) were frequently found, as evidenced by x-ray absorption spectroscopy (XAS), neutron diffraction (ND), and Raman spectroscopy. Low temperature electron paramagnetic resonance (EPR) measurements showed the possibility of Tc(IV) and Tc(VI) in Na3TcO5and Na5TcO6compounds.

    It was hypothesized that the smaller counter cation would result in more stable pertechnetates. To confirm the synthesis method, LiReO4and Li5

  6. Optimized coordinates for anharmonic vibrational structure theories.

    Science.gov (United States)

    Yagi, Kiyoshi; Keçeli, Murat; Hirata, So

    2012-11-28

    A procedure to determine optimal vibrational coordinates is developed on the basis of an earlier idea of Thompson and Truhlar [J. Chem. Phys. 77, 3031 (1982)]. For a given molecule, these coordinates are defined as the unitary transform of the normal coordinates that minimizes the energy of the vibrational self-consistent-field (VSCF) method for the ground state. They are justified by the fact that VSCF in these coordinates becomes exact in two limiting cases: harmonic oscillators, where the optimized coordinates are normal, and noninteracting anharmonic oscillators, in which the optimized coordinates are localized on individual oscillators. A robust and general optimization algorithm is developed, which decomposes the transformation matrix into a product of Jacobi matrices, determines the rotation angle of each Jacobi matrix that minimizes the energy, and iterates the process until a minimum in the whole high dimension is reached. It is shown that the optimized coordinates are neither entirely localized nor entirely delocalized (or normal) in any of the molecules (the water, water dimer, and ethylene molecules) examined (apart from the aforementioned limiting cases). Rather, high-frequency stretching modes tend to be localized, whereas low-frequency skeletal vibrations remain normal. On the basis of these coordinates, we introduce two new vibrational structure methods: optimized-coordinate VSCF (oc-VSCF) and optimized-coordinate vibrational configuration interaction (oc-VCI). For the modes that become localized, oc-VSCF is found to outperform VSCF, whereas, for both classes of modes, oc-VCI exhibits much more rapid convergence than VCI with respect to the rank of excitations. We propose a rational configuration selection for oc-VCI when the optimized coordinates are localized. The use of the optimized coordinates in VCI with this configuration selection scheme reduces the mean absolute errors in the frequencies of the fundamentals and the first overtones

  7. Flavour Compounds in Fungi

    DEFF Research Database (Denmark)

    Ravasio, Davide Antonio

    Fungi produce a variety of volatile organic compounds (VOCs) during their primary or secondary metabolism and with a wide range of functions. The main focus of this research work has been put on flavour molecules that are produced during fermentation processes, mainly esters and alcohols derived...... region is directly regulated by the ScAro80 transcription factor. This interaction has been used to create a lacZ-reporter system to correlate the formation of two volatile compounds, 2- phenylethanol and 2-phenylethyl acetate in yeast with ARO9 expression levels. This indirect genetic assay also....... This resulted in the identification of Wickerhamomyces anomalus and Pichia kluyveri as high producers of esters fruity compounds, which contribute to enhance the complexity of wine and beer product. In addition the strain Debaromyces subglobosus showed high yields of aldehydes and fruity ketones, which...

  8. Transforming geocentric cartesian coordinates to geodetic coordinates by using differential search algorithm

    Science.gov (United States)

    Civicioglu, Pinar

    2012-09-01

    In order to solve numerous practical navigational, geodetic and astro-geodetic problems, it is necessary to transform geocentric cartesian coordinates into geodetic coordinates or vice versa. It is very easy to solve the problem of transforming geodetic coordinates into geocentric cartesian coordinates. On the other hand, it is rather difficult to solve the problem of transforming geocentric cartesian coordinates into geodetic coordinates as it is very hard to define a mathematical relationship between the geodetic latitude (φ) and the geocentric cartesian coordinates (X, Y, Z). In this paper, a new algorithm, the Differential Search Algorithm (DS), is presented to solve the problem of transforming the geocentric cartesian coordinates into geodetic coordinates and its performance is compared with the performances of the classical methods (i.e., Borkowski, 1989; Bowring, 1976; Fukushima, 2006; Heikkinen, 1982; Jones, 2002; Zhang, 2005; Borkowski, 1987; Shu, 2010 and Lin, 1995) and Computational-Intelligence algorithms (i.e., ABC, JDE, JADE, SADE, EPSDE, GSA, PSO2011, and CMA-ES). The statistical tests realized for the comparison of performances indicate that the problem-solving success of DS algorithm in transforming the geocentric cartesian coordinates into geodetic coordinates is higher than those of all classical methods and Computational-Intelligence algorithms used in this paper.

  9. A General Model of Sensitized Luminescence in Lanthanide-Based Coordination Polymers and Metal-Organic Framework Materials.

    Science.gov (United States)

    Einkauf, Jeffrey D; Clark, Jessica M; Paulive, Alec; Tanner, Garrett P; de Lill, Daniel T

    2017-05-15

    Luminescent lanthanides containing coordination polymers and metal-organic frameworks hold great potential in many applications due to their distinctive spectroscopic properties. While the ability to design coordination polymers for specific functions is often mentioned as a major benefit bestowed on these compounds, the lack of a meaningful understanding of the luminescence in lanthanide coordination polymers remains a significant challenge toward functional design. Currently, the study of these compounds is based on the antenna effect as derived from molecular systems, where organic antennae are used to facilitate lanthanide-centered luminescence. This molecular-based approach does not take into account the unique features of extended network solids, particularly the formation of band structure. While guidelines for the antenna effect are well established, they require modification before being applied to coordination polymers. A series of nine coordination polymers with varying topologies and organic linkers were studied to investigate the accuracy of the antenna effect in coordination polymer systems. By comparing a molecular-based approach to a band-based one, it was determined that the band structure that occurs in aggregated organic solids needs to be considered when evaluating the luminescence of lanthanide coordination polymers.

  10. 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.

  11. Compound semiconductor device physics

    CERN Document Server

    Tiwari, Sandip

    2013-01-01

    This book provides one of the most rigorous treatments of compound semiconductor device physics yet published. A complete understanding of modern devices requires a working knowledge of low-dimensional physics, the use of statistical methods, and the use of one-, two-, and three-dimensional analytical and numerical analysis techniques. With its systematic and detailed**discussion of these topics, this book is ideal for both the researcher and the student. Although the emphasis of this text is on compound semiconductor devices, many of the principles discussed will also be useful to those inter

  12. Organometallic compounds in cancer therapy: past lessons and future directions.

    Science.gov (United States)

    Martins, Pedro; Marques, Mara; Coito, Lidia; Pombeiro, Armando J L; Baptista, Pedro Viana; Fernandes, Alexandra R

    2014-01-01

    Over the past few years, modern medicinal chemistry has evolved towards providing us new and alternative chemotherapeutic compounds with high cytotoxicity towards tumor cells, alongside with reduced side effects in cancer patients. Organometallic compounds and their unique physic-chemical properties typically used in homogenous catalysis are now being translated as potential candidates for medical purposes. Their structural diversity, ligand exchange, redox and catalytic properties make them promising drug candidates for cancer therapy. Over the last decade this area has witnessed a steady growth and a few organometallic compounds have in fact already entered clinical trials, emphasizing its increasing importance and clinical relevance. Here we intend to stress out the different applications of organometallic compounds in medicine with emphasis on cancer therapy, as well as address setbacks regarding formulation issues, systemic toxicity and off-target effects. Advantages over classical coordination metal complexes, their nanovectorisation and specific molecular targets are also discussed.

  13. Evaluation of radiolabeled ruthenium compounds as tumor-localizing agents

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, S.C.; Richards, P.; Meinken, G.E.; Som, P.; Atkins, H.L.; Larson, S.M.; Grunbaum, Z.; Rasey, J.S.; Clarke, M.H.; Dowling, M.

    1979-01-01

    This work introduces a new class of radiopharmaceuticals based on ruthenium-97. The excellent physical properties of Ru-97, the high chemical reactivity of Ru, the potential antitumor activity of several Ru coordination compounds, and BLIP production of Ru-97, provide a unique combination for the application of this isotope in nuclear oncology. A systematic study was undertaken on the synthesis, characterization, and evaluation of a number of ruthenium-labeled compounds. In a variety of animal tumor models, several compounds show considerable promise as tumor-localizing agents when compared to gallium-67 citrate. The compounds studied (with Ru in different oxidation states) include ionic Ru, a number of hydrophilic and lipophilic chelates, and various ammine derivatives.

  14. Hybrid Optimized and Localized Vibrational Coordinates.

    Science.gov (United States)

    Klinting, Emil Lund; König, Carolin; Christiansen, Ove

    2015-11-01

    We present a new type of vibrational coordinates denoted hybrid optimized and localized coordinates (HOLCs) aiming at a good set of rectilinear vibrational coordinates supporting fast convergence in vibrational stucture calculations. The HOLCs are obtained as a compromise between the recently promoted optimized coordinates (OCs) and localized coordinates (LCs). The three sets of coordinates are generally different from each other and differ from standard normal coordinates (NCs) as well. In determining the HOLCs, we optimize the vibrational self-consistent field (VSCF) energy with respect to orthogonal transformation of the coordinates, which is similar to determining OCs but for HOLCs we additionally introduce a penalty for delocalization, by using a measure of localization similar to that employed in determining LCs. The same theory and implementation covers OCs, LCs, and HOLCs. It is shown that varying one penalty parameter allows for connecting OCs and LCs. The HOLCs are compared to NCs, OCs, and LCs in their nature and performance as basis for vibrational coupled cluster (VCC) response calculations of vibrational anharmonic energies for a small set of simple systems comprising water, formaldehyde, and ethylene. It is found that surprisingly good results can be obtained with HOLCs by using potential energy surfaces as simple as quadratic Taylor expansions. Quite similar coordinates are found for the already established OCs but obtaining these OCs requires much more elaborate and expensive potential energy surfaces and localization is generally not guaranteed. The ability to compute HOLCs for somewhat larger systems is demonstrated for coumarin and the alanine quadramer. The good agreement between HOLCs and OCs, together with the much easier applicability of HOLCs for larger systems, suggests that HOLCs may be a pragmatically very interesting option for anharmonic calculations on medium to large molecular systems.

  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. A coordinate description of partonic processes

    CERN Document Server

    Erdogan, Ozan

    2016-01-01

    We review a perturbative description of amplitudes in coordinate space, aiming at an intuitive perspective on the roles of "long" and "short" distances. We begin with coordinate-space leading regions for fixed-angle scattering amplitudes, and develop approximations and factorizations in analogy to similar procedures in momentum space. There are also applications to products of Wilson lines, including the familiar cusp amplitude. We briefly discuss cross sections from the coordinate viewpoint, and the mechanism by which infrared singularities cancel in inclusive cross sections.

  17. Utilizing reversible copper(II) peptide coordination in a sequence-selective luminescent receptor.

    Science.gov (United States)

    Stadlbauer, Stefan; Riechers, Alexander; Späth, Andreas; König, Burkhard

    2008-01-01

    Although vast information about the coordination ability of amino acids and peptides to metal ions is available, little use of this has been made in the rational design of selective peptide receptors. We have combined a copper(II) nitrilotriacetato (NTA) complex with an ammonium-ion-sensitive and luminescent benzocrown ether. This compound revealed micromolar affinities and selectivities for glycine- and histidine-containing sequences, which closely resembles those of copper(II) ion peptide binding: the two free coordination sites of the copper(II) NTA complex bind to imidazole and amido nitrogen atoms, replicating the initial coordination steps of non-complexed copper(II) ions. The benzocrown ether recognizes the N-terminal amino moiety intramolecularly, and the significantly increased emission intensity signals the binding event, because only if prior coordination of the peptide has taken place is the intramolecular ammonium ion-benzocrown ether interaction of sufficient strength in water to trigger an emission signal. Intermolecular ammonium ion-benzocrown ether binding is not observed. Isothermal titration calorimetry confirmed the binding constants derived from emission titrations. Thus, as deduced from peptide coordination studies, the combination of a truncated copper(II) coordination sphere and a luminescent benzocrown ether allows for the more rational design of sequence-selective peptide receptors.

  18. The migration of a compound drop due to thermocapillarity

    Science.gov (United States)

    Morton, David S.; Subramanian, R. Shankar; Balasubramaniam, R.

    1990-01-01

    The quasistatic thermocapillary motion of a compound drop in an unbounded fluid possessing a uniform temperature gradient is analyzed. For completeness, gravitational effects are included in the treatment. The general model is formulated, and the equations for the concentric case are solved using spherical polar coordinates, while the eccentric case is handled using bispherical coordinates. Results are given for the velocity of the drop as well as that of the droplet with respect to the drop, along with useful approximations. Illustrative results are presented graphically for the thermocapillary migration of a compound drop in the special case when the droplet is a gas bubble. In addition to the velocities of the drop and the bubble, representative isotherms and streamlines also are presented which display interesting qualitative features.

  19. Aminopropyl thiophene compounds

    Science.gov (United States)

    Goodman, Mark M.; Knapp, Jr., Furn F.

    1990-01-01

    Radiopharmaceuticals useful in brain imaging comprising radiohalogenated thienylethylamine derivatives. The compounds are 5-halo-thiophene-2-isopropyl amines able to cross the blood-brain barrier and be retained for a sufficient length of time to allow the evaluation of regional blood flow by radioimaging of the brain.

  20. Toxicology of perfluorinated compounds

    Energy Technology Data Exchange (ETDEWEB)

    Stahl, Thorsten [Hessian State Laboratory, Wiesbaden (Germany); Mattern, Daniela; Brunn, Hubertus [Hessian State Laboratory, Giessen (Germany)

    2011-12-15

    Perfluorinated compounds [PFCs] have found a wide use in industrial products and processes and in a vast array of consumer products. PFCs are molecules made up of carbon chains to which fluorine atoms are bound. Due to the strength of the carbon/fluorine bond, the molecules are chemically very stable and are highly resistant to biological degradation; therefore, they belong to a class of compounds that tend to persist in the environment. These compounds can bioaccumulate and also undergo biomagnification. Within the class of PFC chemicals, perfluorooctanoic acid and perfluorosulphonic acid are generally considered reference substances. Meanwhile, PFCs can be detected almost ubiquitously, e.g., in water, plants, different kinds of foodstuffs, in animals such as fish, birds, in mammals, as well as in human breast milk and blood. PFCs are proposed as a new class of 'persistent organic pollutants'. Numerous publications allude to the negative effects of PFCs on human health. The following review describes both external and internal exposures to PFCs, the toxicokinetics (uptake, distribution, metabolism, excretion), and the toxicodynamics (acute toxicity, subacute and subchronic toxicities, chronic toxicity including carcinogenesis, genotoxicity and epigenetic effects, reproductive and developmental toxicities, neurotoxicity, effects on the endocrine system, immunotoxicity and potential modes of action, combinational effects, and epidemiological studies on perfluorinated compounds). (orig.)

  1. NATURAL POLYACETYLENE COMPOUNDS

    Directory of Open Access Journals (Sweden)

    A. M. Nasukhova

    2014-01-01

    Full Text Available In article the review of the initial stage of researches of natural polyacetylene compounds is resulted. The high reactionary ability leading to fast oxidation and degradation of these compounds, especially at influence of Uf-light, oxygen of air, pH and other factors, has caused the serious difficulties connected with an establishment of structure and studying of their physical and chemical properties. Therefore the greatest quantity of works of this stage is connected with studying of essential oils of plants from families Apiaceae, Araliaceae, Asteraceae, Campanulaceae, Olacaceae, Pittosporaceae and Santalaceae where have been found out, basically, diacetylene compounds. About development of physical and chemical methods of the analysis of possibility of similar researches have considerably extended. More than 2000 polyacetylenes are known today, from them more than 1100 are found out in plants fam. Asteraceae. Revolution in the field of molecular biology has allowed to study processes of biosynthesis of these compounds intensively.

  2. Computing compound distributions faster

    NARCIS (Netherlands)

    P. den Iseger; M.A.J. Smith; R. Dekker (Rommert)

    1997-01-01

    textabstractThe use of Panjer's algorithm has meanwhile become a widespread standard technique for actuaries (Kuon et al., 1955). Panjer's recursion formula is used for the evaluation of compound distributions and can be applied to life and general insurance problems. The discrete version of Panjer'

  3. Flavour Compounds in Fungi

    DEFF Research Database (Denmark)

    Ravasio, Davide Antonio

    Fungi produce a variety of volatile organic compounds (VOCs) during their primary or secondary metabolism and with a wide range of functions. The main focus of this research work has been put on flavour molecules that are produced during fermentation processes, mainly esters and alcohols derived...

  4. Fun with Ionic Compounds

    Science.gov (United States)

    Logerwell, Mollianne G.; Sterling, Donna R.

    2007-01-01

    Ionic bonding is a fundamental topic in high school chemistry, yet it continues to be a concept that students struggle to understand. Even if they understand atomic structure and ion formation, it can be difficult for students to visualize how ions fit together to form compounds. This article describes several engaging activities that help…

  5. Calibration of transformation matrix in object body coordinate and camera coordinate

    Science.gov (United States)

    Song, Jincheng; Sun, Zengyu; Guo, Lei; Wang, Dongwei

    2013-01-01

    In this paper, a new coordinate system calibration is proposed in order to define the dependence of position between object body coordinate and camera coordinate which can be used in object measurement by the formation of image. Due to existing the fabrication and installation error, it is difficult to make system parallel between object body coordinate and camera coordinate. To resolve it, the deviation of the two coordinate system is demanded to measure detailed. The deviation compensation in the image processing software can ensure the accuracy the pitch angle and azimuth in the destination image of camera measurement system. In order to definite the position, a base coordinate system of theodolite is set by mutual-space measurement principle. After the measurement of theodolite system, a transformation matrix of the base coordinate system can be deduced. Changing the position of the theodolite station and adjusting the cross-screw to infinity, the transformation matrix between the base coordinate and star-sensor coordinate can be deduced by image formation of the destination at infinity. The position relation between object body and camera can be calculated by the transformation matrix. The results of the measurement experiment show that the gauging repeatability is 6' which can meet the system gauging demands.

  6. 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.

  7. 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...

  8. Anatomic Breast Coordinate System for Mammogram Analysis

    DEFF Research Database (Denmark)

    Karemore, Gopal Raghunath; Brandt, S; Karssemeijer, N;

    2011-01-01

    inside the breast. Most of the risk assessment and CAD modules use a breast region in a image centered Cartesian x,y coordinate system. Nevertheless, anatomical structure follows curve-linear trajectories. We examined an anatomical breast coordinate system that preserves the anatomical correspondence...... between the mammograms and allows extracting not only the aligned position but also the orientation aligned with the anatomy of the breast tissue structure. Materials and Methods The coordinate system used the nipple location as the point A and the border of the pectoral muscle as a line BC. The skin air...... 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...

  9. 9th Conference on Coordinate Measuring Machines

    DEFF Research Database (Denmark)

    De Chiffre, Leonardo; Dorph, Pernille

    2001-01-01

    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......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...... and Management in connection with a Nordic project concerned with creation of a network in coordinate metrology in Denmark, Finland, Norway and Sweden. A major activity of the project was an industrial comparison of 62 CMMs in the Scandinavian Coutries. Since it’s start in 1994, the Danish CMM Club has held six...

  10. 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)...

  11. 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 ma...

  12. Dynnikov coordinates on virtual braid groups

    CERN Document Server

    Bardakov, Valerij G; Wiest, Bert

    2011-01-01

    We define Dynnikov coordinates on virtual braid groups. We prove that they are faithful invariants of virtual 2-braids, and present evidence that they are also very powerful invariants for general virtual braids.

  13. Superfield extended BRST quantization in general coordinates

    CERN Document Server

    Geyer, B; Lavrov, P M; Moshin, P Y

    2004-01-01

    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.

  14. 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... coordination of routine UWB operations shall not take longer than 15 business days from the receipt of...

  15. Language as a coordination tool evolves slowly

    Science.gov (United States)

    2016-01-01

    Social living ultimately depends on coordination between group members, and communication is necessary to make this possible. We suggest that this might have been the key selection pressure acting on the evolution of language in humans and use a behavioural coordination model to explore the impact of communication efficiency on social group coordination. We show that when language production is expensive but there is an individual benefit to the efficiency with which individuals coordinate their behaviour, the evolution of efficient communication is selected for. Contrary to some views of language evolution, the speed of evolution is necessarily slow because there is no advantage in some individuals evolving communication abilities that much exceed those of the community at large. However, once a threshold competence has been achieved, evolution of higher order language skills may indeed be precipitate. PMID:28083091

  16. Coordinate transformation approach to social interactions

    Directory of Open Access Journals (Sweden)

    Steve W C Chang

    2013-08-01

    Full Text Available A coordinate transformation framework for understanding how neurons compute sensorimotor behaviors has generated significant advances towards our understanding of basic brain function. This influential scaffold focuses on neuronal encoding of spatial information represented in different coordinate systems (e.g., eye-centered, hand-centered and how multiple brain regions partake in transforming these signals in order to ultimately generate a motor output. A powerful analogy can be drawn from the coordinate transformation framework to better elucidate how the nervous system computes cognitive variables for social behavior. Of particular relevance is how the brain represents information with respect to oneself and other individuals, such as in reward outcome assignment during social exchanges, in order to influence social decisions. In this article, I outline how the coordinate transformation framework can help guide our understanding of neural computations resulting in social interactions. Implications for numerous psychiatric disorders with impaired representations of self and others are also discussed.

  17. 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.

  18. Relativistic Positioning Systems: The Emission Coordinates

    CERN Document Server

    Coll, B; Coll, Bartolom\\'{e}; Pozo, Jos\\'{e} Mar\\'{I}a

    2006-01-01

    This paper introduces some general properties of the gravitational metric and the natural basis of vectors and covectors in 4-dimensional emission coordinates. Emission coordinates are a class of space-time coordinates defined and generated by 4 emitters (satellites) broadcasting their proper time by means of electromagnetic signals. They are a constitutive ingredient of the simplest conceivable relativistic positioning systems. Their study is aimed to develop a theory of these positioning systems, based on the framework and concepts of general relativity, as opposed to introducing `relativistic effects' in a classical framework. In particular, we characterize the causal character of the coordinate vectors, covectors and 2-planes, which are of an unusual type. We obtain the inequality conditions for the contravariant metric to be Lorentzian, and the non-trivial and unexpected identities satisfied by the angles formed by each pair of natural vectors. We also prove that the metric can be naturally split in such...

  19. 14N NMR of amminecobalt(III) compounds

    DEFF Research Database (Denmark)

    Kofod, Pauli

    2003-01-01

    Directly detected ammine 14N NMR chemical shifts of 20 amminecobalt(III) compounds are reported. The coordination shifts, δCS = δcoord − δfree, are in all cases negative and range from −4.4 ppm for the trans ammine ligand in [Co(NH3)5(CH3)]2+ to −73.6 ppm for the trans ammine ligand in [Co(NH3)5(F...

  20. Coordination Chemistry of Homoleptic Actinide(IV)-Thiocyanate Complexes.

    Science.gov (United States)

    Carter, Tyler J; Wilson, Richard E

    2015-10-26

    The synthesis, X-ray crystal structure, vibrational and optical spectroscopy for the eight-coordinate thiocyanate compounds, [Et4 N]4 [Pu(IV) (NCS)8 ], [Et4 N]4 [Th(IV) (NCS)8 ], and [Et4 N]4 [Ce(III) (NCS)7 (H2 O)] are reported. Thiocyanate was found to rapidly reduce plutonium to Pu(III) in acidic solutions (pHcoordination in acetonitrile based on the observation of intense ligand-to-metal charge-transfer bands. Spectroscopic and crystallographic data do not support the interaction of the metal orbitals with the ligand π system, but support an enhanced An(IV) -NCS interaction, as the Lewis acidity of the metal ion increases from Th to Pu.

  1. The Lanthanide Contraction beyond Coordination Chemistry.

    Science.gov (United States)

    Ferru, Geoffroy; Reinhart, Benjamin; Bera, Mrinal K; Olvera de la Cruz, Monica; Qiao, Baofu; Ellis, Ross J

    2016-05-10

    The lanthanide contraction is conceptualized traditionally through coordination chemistry. Here we break this mold in a structural study of lanthanide ions dissolved in an amphiphilic liquid. The lanthanide contraction perturbs the weak interactions between molecular aggregates that drive mesoscale assembly and emergent behavior. The weak interactions correlate with lanthanide ion transport properties, suggesting new strategies for rare-earth separation that exploit forces outside of the coordination sphere.

  2. On Double Interpolation in Polar Coordinates

    Directory of Open Access Journals (Sweden)

    Antoniu Nicula

    2009-10-01

    Full Text Available Interpolation is an important tool in numerical modeling of real-life systems. The Lagrange interpolation is frequently used, due to particular advantages in implementation. The bi-dimensional version may be implemented with Cartesian or with polar coordinate system. Choice of the coordinate system is important in order to obtain accurate results. The polar case has particular properties that can be exploited to minimize some of the common disadvantages of polynomial interpolation.

  3. Trust and team coordination in critical situations

    Directory of Open Access Journals (Sweden)

    Adrian H. Pitariu

    2008-01-01

    Full Text Available In this paper I explore the process of team coordination. I propose a model by which team coordination emerges as a function of team mental models and team trust. Furthermore, I introduce a hierarchical approach to team mental models, and propose a framework that provides a better understanding of team processes and opens new avenues of research in the area of team cognition. I conclude with implications for future research and practice.

  4. Zinc coordination spheres in protein structures.

    Science.gov (United States)

    Laitaoja, Mikko; Valjakka, Jarkko; Jänis, Janne

    2013-10-07

    Zinc metalloproteins are one of the most abundant and structurally diverse proteins in nature. In these proteins, the Zn(II) ion possesses a multifunctional role as it stabilizes the fold of small zinc fingers, catalyzes essential reactions in enzymes of all six classes, or assists in the formation of biological oligomers. Previously, a number of database surveys have been conducted on zinc proteins to gain broader insights into their rich coordination chemistry. However, many of these surveys suffer from severe flaws and misinterpretations or are otherwise limited. To provide a more comprehensive, up-to-date picture on zinc coordination environments in proteins, zinc containing protein structures deposited in the Protein Data Bank (PDB) were analyzed in detail. A statistical analysis in terms of zinc coordinating amino acids, metal-to-ligand bond lengths, coordination number, and structural classification was performed, revealing coordination spheres from classical tetrahedral cysteine/histidine binding sites to more complex binuclear sites with carboxylated lysine residues. According to the results, coordination spheres of hundreds of crystal structures in the PDB could be misinterpreted due to symmetry-related molecules or missing electron densities for ligands. The analysis also revealed increasing average metal-to-ligand bond length as a function of crystallographic resolution, which should be taken into account when interrogating metal ion binding sites. Moreover, one-third of the zinc ions present in crystal structures are artifacts, merely aiding crystal formation and packing with no biological significance. Our analysis provides solid evidence that a minimal stable zinc coordination sphere is made up by four ligands and adopts a tetrahedral coordination geometry.

  5. Computer testbed for experiments on coordination

    OpenAIRE

    Orazbayev, Sultan

    2005-01-01

    Experimental studies of coordination games consistently show that large groups are unable to escape the inefficient equilibrium. Weber (2005) modifies experimental design and obtains large groups that coordinate on the efficient equilibrium. This feature is incorporated into a computer testbed. After examining both individual and social learning, it is found that experimental results cannot be described with a simple learning process. A discussion on possible explanations concludes the project.

  6. Coordinating Learning Agents for Active Information Collection

    Science.gov (United States)

    2011-06-30

    ranging from robocup soccer [26, 27], to rover coordination [19], to trading agents [25, 43], to air traffic management [32]. What makes this problem...Bazzan, A. and Ossowski, S. (eds.), Applications of Agent Technology in Traffic and Transportation ( Springer , 2005). [19] Mataric, M. J., Coordination...of Complex Systems ( Springer , 2004). September 16, 2009 16:40 WSPC/169-ACS 00230 472 K. Tumer and N. Khani [24] Pynadath, D. and Tambe, M., The

  7. Vibrational spectra, normal coordinate treatment and simulation of the vibrational spectra of piperazine glyoxime and its Co(III) complex

    Science.gov (United States)

    Özpozan, T.; Küçükusta, D.; Büyükmumcu, Z.

    2003-12-01

    Newly synthesized Co(III) complexes of piperazine glyoxime (PGO) are examined from the vibrational spectroscopy point of view. A complete interpretation of the vibrational spectra of both the ligand and the complex has been carried out on the basis of normal coordinate analysis. A valence force field has been developed for both of the compounds. The vibrational spectra of the compounds are simulated by a visual basic program prepared to run on an MS Excel data sheet.

  8. Crystal and molecular structure of the coordination compounds of Er{sup 3+} with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL{sub 2}{sup 1}(NO{sub 3}){sub 2}]{sub 2}[Er(NO{sub 3}){sub 2}(H{sub 2}O){sub 5}]{sub 0.333}(NO{sub 3}){sub 2.333} · 2.833H{sub 2}O and its ethyl substituted derivative [ErL{sub 2}{sup 2}(NO{sub 3}){sub 2}][Er(NO{sub 3}){sub 5}]{sub 0.5} · 0.5H{sub 2}O

    Energy Technology Data Exchange (ETDEWEB)

    Polyakova, I. N., E-mail: polyakova@igic.ras.ru [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Baulin, V. E. [Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry (Russian Federation); Ivanova, I. S.; Pyatova, E. N.; Sergienko, V. S. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Tsivadze, A. Yu. [Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry (Russian Federation)

    2015-01-15

    The coordination compounds of Er{sup 3+} with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL{sub 2}{sup 1}(NO{sub 3}){sub 2}]{sub 2}[Er(NO{sub 3}){sub 2}(H{sub 2}O){sub 5}]{sub 0.333}(NO{sub 3}){sub 2.333} · 2.833H{sub 2}O (I) and its ethyl substituted derivative [ErL{sub 2}{sup 2}(NO{sub 3}){sub 2}][Er(NO{sub 3}){sub 5}]{sub 0.5} · 0.5H{sub 2}O (II) are synthesized and their crystal structures are studied. I and II contain [ErL{sub 2}(NO{sub 3}){sub 2}]{sup +} complex cations of identical composition and close structure. The eight-vertex polyhedron of the Er atom in the shape of a distorted octahedron with two split trans vertices is formed by the O atoms of the phosphoryl groups of L ligands and nitrate anions. L ligands close nine-membered metallocycles. The structures contain spacious channels which are populated differently, namely, by disordered [Er(NO{sub 3}){sub 2}(H{sub 2}O){sub 5}]{sup +} complex cations, NO{sub 3}{sup −} anions, and crystallization water molecules in I and disordered [Er(NO{sub 3}){sub 5}]{sup 2−} complex anions and crystallization water molecules in II. The IR spectra of I and II are studied.

  9. Toxicity of dipyridyl compounds and related compounds.

    Science.gov (United States)

    Li, Shenggang; Crooks, Peter A; Wei, Xiaochen; de Leon, Jose

    2004-01-01

    Five dipyridyl isomers, 2,2'-, 2,3'-, 2,4'-, 3,3'-, and 4,4'-dipyridyl, are products resulting from the pyrolytic degradation of tobacco products and degradation of the herbicide paraquat, and therefore may be present in the environment. In this article, the toxicological properties of these dipyridyl isomers in humans and animals are reviewed. Epidemiological studies suggest that cancerous skin lesions in workers involved in the manufacturing of paraquat may be associated with exposure to dipyridyl compounds. Experimental animal studies suggest that dipyridyl isomers may have several toxicological effects. Three of the dipyridyl isomers (the 2,2', 2,4', and 4,4' isomers) appear to be inducers of some metabolic enzymes. The 2,2'-dipyridyl isomer, an iron chelator, appears to influence vasospasm in primate models of stroke. The cytotoxic effects of 2,2'-dipyridyl on several leukemia cell lines have been reported, and a potent teratogenic effect of 2,2'-dipyridyl has been observed in rats. Based on the results of paraquat studies in experimental animal models, it has been proposed that paraquat may have deleterious effects on dopaminergic neurons. These findings support the epidemiological evidence that paraquat exposure may be associated with the development of Parkinson's disease. Studies designed to determine an association between paraquat exposure and Parkinson's disease are complicated by the possibility that metabolic changes may influence the neurotoxicity of paraquat and/or its metabolites. Preliminary unpublished data in mice show that 300-mg/kg doses of 2,2'-dipyridyl are neurotoxic, and 300-mg/kg doses of 2,4'- and 4,4'-dipyridyls are lethal. These results are consistent with earlier studies in Sherman rats using high 2,2'- and 4,4'-dipyridyl doses. New studies are needed to further explore the toxicological properties of dipyridyls and their potential public health impact.

  10. Trunk coordination in dancers and nondancers.

    Science.gov (United States)

    Jarvis, Danielle N; Smith, Jo Armour; Kulig, Kornelia

    2014-08-01

    Variability, or how a task changes across trials, may reveal differences between athletes of differing skill levels. The purpose of this study was to examine trunk and lower extremity (LE) single joint kinematic variability and intersegmental coordination variability in dancers and nondancers during bipedal vertical dance jumps (sautés). Twenty healthy females, 10 with no formal dance training and 10 professional dancers, performed 20 consecutive sautés. Single joint kinematic variability was assessed using mean standard deviation of angular displacement, and intersegmental coordination variability was assessed using angular deviation of the coupling angle between segments. Within the context of the standard error of measure, there was no difference in single joint kinematic variability between dancers and nondancers. Intersegmental coordination variability in the trunk was higher than variability in LE couplings for both groups. Dancers had lower intersegmental coordination variability than nondancers for LE sagittal, frontal, and transverse plane couplings, and sagittal plane trunk couplings. Trunk adjustments may be important for successful performance, but lower intersegmental coordination variability in expert dancers indicates a higher level of control. Trunk coordination and postural control may be important factors to investigate in skilled athletes.

  11. Assembly of three new POM-based Ag(I) coordination polymers with antibacterial and photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Xin-Xin; Luo, Yu-Hui [Institute of Polyoxometalate Chemistry, Department of Chemistry, Northeast Normal University, Changchun, Jilin 130024, PR China (China); Lu, Chen [School of Pharmaceutical and Life Sciences,Changzhou University, Changzhou, Jiangsu 213164 (China); Chen, Xin, E-mail: xinchen@cczu.edu.cn [School of Pharmaceutical and Life Sciences,Changzhou University, Changzhou, Jiangsu 213164 (China); Zhang, Hong, E-mail: zhangh@nenu.edu.cn [Institute of Polyoxometalate Chemistry, Department of Chemistry, Northeast Normal University, Changchun, Jilin 130024, PR China (China)

    2015-12-15

    Three new silver coordination polymers, namely, {Ag_3(bpy)_6[PW_1_2O_4_0]} (1), {Ag_5(H_2biim)_2(Hbiim-NO_2)_2[PW_1_2O_4_0]} (2), {Ag_7(pytz)_4[PW_1_2O_4_0]} (3) (bpy=2,2′-bipyridine, H{sub 2}biim=2,2′-biimidazole, pytz=4-(1H-tetrazol-5-yl)pyridine), have been synthesized under hydrothermal condition. Compound 1 shows a 3D supramolecular framework based on 0D moieties. Compound 2 exhibits an attractive 2D biologic screw axis. Compound 3 displays a 3D structure, which consists of Ag(I)···π interactions, π···π stacking and weak Ag···Ag interactions. It is noteworthy that nitration happens to compound 2 during the hydrothermal condition, which is quite rare. Through contrasting the antibacterial activities of gram negative and gram positive bacteria, we find compounds 1–3 have better antibacterial property in gram negative bacteria than gram positive bacteria. In addition, compounds 1–3 also exhibit efficiency of photocatalytic decomposition of organic dyes. Those compounds may be used as potential multifunctional materials in wastewater treatment, because they not only can kill bacteria but also degrade organic pollutants. - Highlights: • Three new silver coordination polymers have been synthesized under hydrothermal condition. • Due to different coordination modes of rigid N-donor ligands, structures of the title compounds vary from 0D to 3D frameworks. • It is noteworthy that nitration happens to compound 2 during the hydrothermal condition, which is quite rare. • In addition, these compounds exhibit efficiency of photocatalytic decomposition of dyes and antibacterial activities.

  12. A Gold Coordination Compound as a Chemical Probe to Unravel Aquaporin-7 Function

    NARCIS (Netherlands)

    Madeira, Ana; de Almeida, Andreia; de Graaf, Chris; Camps, Marta; Zorzano, Antonio; Moura, Teresa F; Casini, Angela; Soveral, Graça

    2014-01-01

    Aquaporins (AQPs) are membrane water/glycerol channels that are involved in many physiological functions. Aquaporin-based modulators are predicted to have potential utility in the treatment of several diseases, as well as chemical tools to assess AQPs function in biological systems. We recently repo

  13. Synthesis and characterizaton of some new coordination compounds of boron with mixed azines

    Directory of Open Access Journals (Sweden)

    MANISH GODARA

    2007-04-01

    Full Text Available Some new boron complexes have been synthesized by the reaction of triisopropohxyborane with the mixed azines, prepared by the condensation of salicylaldehyde and hydrazine with aldehydes/ketones in a 1:1:1 mole ratio to give a new series of (OPri2B(NO type of complexes. Their structures were confirmed on the basis of elemental analyses, ultraviolet, infrared, 1H-NMR and 11B-NMR spectral studies. The ligands and their boron complexes were also screened for their antifungal activity. Several of these complexes were found to be quite active in this respect.

  14. Photoprocesses of coordination compounds and dyes in solution and nanoporous materials: Evolution from milliseconds to femtoseconds

    Indian Academy of Sciences (India)

    P Natarajan; K Duraimurugan; K Senthil Kumar

    2011-09-01

    The photoredox reactions of cobalt(III), nickel(II) complexes and organic dyes are reviewed with particular emphasis on using flash photolysis methods to identify the transients in the time scale from milliseconds to subpicoseconds. The excitation flash radiation initially was limited to flash lamps with a time resolution to study the decay of the excited states and the fast reactions of photo produced transients in milliseconds and microseconds. Some of the photolysis reactions investigated provide details in real time including the thermal reactions of molecular oxygen with cobalt(II) amine systems and the cobalt (III) alkyl complex formation on photolysis of cobalt(III) aminoacid complexes. Photoredox reactions of thiazine and safranine dyes are investigated using time resolved absorption and emission techniques in solution and on encapsulation in micro and mesoporous host materials. Picosecond and femtosecond diffuse reflectance fluorescence investigations in the porous solid host materials show intramolecular proton transfer reactions of the dyes and deprotonation of the dyes in the excited states. Photosensitization of nanoparticles of semiconductors, anatase TiO2 and ZnO by the excited states of dyes in meso and microporous silicate hosts is investigated using pico and femtosecond fluorescence and transient absorptions techniques and the results are reviewed.

  15. 44 CFR 206.42 - Responsibilities of coordinating officers.

    Science.gov (United States)

    2010-10-01

    ... as necessary to coordinate and monitor assistance programs, disseminate information, accept applications, and counsel individuals, families and businesses concerning available assistance; (3) Coordinate... SCO coordinates State and local disaster assistance efforts with those of the Federal...

  16. 78 FR 37781 - Forest Resource Coordinating Committee; Meeting

    Science.gov (United States)

    2013-06-24

    ... Forest Service Forest Resource Coordinating Committee; Meeting AGENCY: Forest Service, USDA. ACTION: Notice of meeting; Correction. SUMMARY: The Forest Service published a document in the Federal Register... FURTHER INFORMATION CONTACT: Maya Solomon, Forest Resource Coordinating Committee Program Coordinator, 202...

  17. Room temperature synthesis of a Zn(II) metal-organic coordination polymer for dye removal

    Science.gov (United States)

    Abbasi, Alireza; Gharib, Maniya; Najafi, Mahnaz; Janczak, Jan

    2016-03-01

    A new one-dimensional (1D) coordination polymer, [Zn(4,4‧-bpy)(H2O)4](ADC)·4H2O (1) (4,4‧-bpy=4,4‧-bipyridine and H2ADC=acetylenedicarboxylic acid), was synthesized at room temperature. The crystal structure of the coordination polymer was determined by single-crystal X-ray diffraction analysis. Compound 1 was also characterized by FT-IR, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The catalytic activity of 1 was evaluated in the color removal of Bismarck brown as a representative of dye pollutant in water under mild conditions. Coordination polymer 1 exhibited good catalytic activity and stability in the decolorization of Bismarck brown and could be easily recovered and reused for at least three cycles.

  18. Synthesis and Structural Characterization of a New 2D Coordination Polymer [Cu(pzta)2]n

    Institute of Scientific and Technical Information of China (English)

    HU,Xin; LIU,Cong; WANG,Yongjiang; GUO,Jixi

    2009-01-01

    A new copper(Ⅱ)tetrazolate coordination polymer[Cu(pzta)2]n (1)(pzta=5-pyrazinyltetrazolate)was prepared from the hydrothermal reaction of Cu(OAc)2,·H2O with NaN3 and pyrazinecarbonitrile(pzCN)in the presence of ethanol,and characterized by elemental analysis,IR,TGA and X-ray crystallography.The X-ray diffraction analysis of 1 shows that the compound crystallizes in the monoclinic system with space group P2(1)/c and Cu(Ⅱ)ion center is six-coordinated by four different pzta ligands.The complex 1 features a 2D tetrazole coordination polymer.The thermal analysis of 1 shows that the decomposition of the complex OCCURS in two regions.

  19. Two new Pb coordination polymers derived from pyrimidine-2-thiolate: Synthesis, methyl substitution-induced effect and properties

    Science.gov (United States)

    Song, Jiang-Feng; Li, Si-Zhe; Zhou, Rui-Sha; Hu, Tuo-Ping; Shao, Jia; Zhang, Xiao

    2016-07-01

    Two new coordination compounds, {Pb(pymt)2}∞ (1) and {Pb(mpymt)2}∞ (2) (pymt = pyrimidine-2-thiolate and mpymt = 4-methyl-pyrimidine-2-thione) have been synthesized under solvothermal conditions and characterized by elemental analyses, IR spectroscopy, thermogravimetric analysis, powder X-ray diffraction and single-crystal X-ray diffraction. In compounds 1 and 2, pymt- and mpymt- adopt the same coordination modes (μ-1 κN, S and μ2-1 κN, S: 2 κS, N) to interacted with Pb2+, however, different topology structures for compounds 1 and 2 are obtained. Compound 1 displays a one-dimensional (1D) ribbon with square cavity constructed from two double concentric chains of [Pb-S]∞ and [Pb-Pyrimidine] ∞ sharing Pb1 ions. Compound 2 shows 1D polymeric single chain constructed by [Pb-S]∞ and [Pb-methyl-pyrimidine]∞ chains. The results revealed that the methyl groups don't influence the coordination modes of pyrimidine-2-thiolate but directed the structural variations. Moreover, the fluorescent properties of compounds 1 and 2 were investigated.

  20. Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents

    Energy Technology Data Exchange (ETDEWEB)

    D Banerjee; J Finkelstein; A Smirnov; P Forster; L Borkowski; S Teat; J Parise

    2011-12-31

    Three magnesium based metal-organic frameworks, Mg{sub 3}(3,5-PDC){sub 3}(DMF){sub 3} {center_dot} DMF [1], Mg(3,5-PDC)(H{sub 2}O) {center_dot} (H{sub 2}O) [3], and Mg{sub 4}(3,5-PDC){sub 4}(DMF){sub 2}(H{sub 2}O){sub 2} {center_dot} 2DMF {center_dot} 4.5H{sub 2}O [4], and a 2-D coordination polymer, [Mg(3,5-PDC)(H{sub 2}O){sub 2}] [2] [PDC = pyridinedicarboxylate], were synthesized using a combination of DMF, methanol, ethanol, and water. Compound 1 [space group P2{sub 1}/n, a = 12.3475(5) {angstrom}, b = 11.1929(5) {angstrom}, c = 28.6734(12) {angstrom}, {beta} = 98.8160(10){sup o}, V = 3916.0(3) {angstrom}{sup 3}] consists of a combination of isolated and corner-sharing magnesium octahedra connected by the organic linkers to form a 3-D network with a 12.2 {angstrom} x 4.6 {angstrom} 1-D channel. The channel contains coordinated and free DMF molecules. In compound 2 [space group C2/c, a = 9.964(5) {angstrom}, b = 12.0694(6) {angstrom}, c = 7.2763(4) {angstrom}, {beta} = 106.4970(6){sup o}, V = 836.70(6) {angstrom}{sup 3}], PDC connects isolated seven coordinated magnesium polyhedra into a layered structure. Compound 3 [space group P6{sub 1}22, a = 11.479(1) {angstrom}, c = 14.735(3) {angstrom}, V = 1681.7(4) {angstrom}{sup 3}] (previously reported) contains isolated magnesium octahedra connected by the organic linker with each other forming a 3D network. Compound 4 [space group P2{sub 1}/c, a = 13.7442(14) {angstrom}, b = 14.2887(15) {angstrom}, c = 14.1178(14) {angstrom}, {beta} = 104.912(2){sup o}, V = 2679.2(5) {angstrom}{sup 3}] also exhibits a 3D network based on isolated magnesium octahedra with square cavities containing both disordered DMF and water molecules. The structural topologies originate due to the variable coordination ability of solvent molecules with the metal center. Water molecules coordinate with the magnesium metal centers preferably over other polar solvents (DMF, methanol, ethanol) used to synthesize the coordination networks. Despite