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Sample records for cobaltateiii coordination compound

  1. Color Classification of Coordination Compounds.

    ERIC Educational Resources Information Center

    Poncini, Laurence; Wimmer, Franz L.

    1987-01-01

    Proposes that colored compounds be classified by reference to a standard color-order system incorporating a color dictionary. Argues that the colors of new compounds could be incorporated into the characterization process and into computer storage systems. (TW)

  2. Color Classification of Coordination Compounds.

    ERIC Educational Resources Information Center

    Poncini, Laurence; Wimmer, Franz L.

    1987-01-01

    Proposes that colored compounds be classified by reference to a standard color-order system incorporating a color dictionary. Argues that the colors of new compounds could be incorporated into the characterization process and into computer storage systems. (TW)

  3. Coordination compounds in nuclear medicine

    SciTech Connect

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

    1993-05-01

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

  4. Arrays of stacked metal coordination compounds

    DOEpatents

    Bulkowski, J.E.

    1986-10-21

    A process is disclosed for preparing novel arrays of metal coordination compounds characterized by arrangement of the metal ions, separated by a linking agent, in stacked order one above the other. The process permits great flexibility in the design of the array. For example, layers of different composition can be added to the array at will. 3 figs.

  5. Arrays of stacked metal coordination compounds

    DOEpatents

    Bulkowski, John E.

    1986-01-01

    A process is disclosed for preparing novel arrays of metal coordination compounds characterized by arrangement of the metal ions, separated by a linking agent, in stacked order one above the other. The process permits great flexibility in the design of the array. For example, layers of different composition can be added to the array at will.

  6. Spin state switching in iron coordination compounds

    PubMed Central

    Gaspar, Ana B; Garcia, Yann

    2013-01-01

    Summary 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. PMID:23504535

  7. The Resolution of a Completely Inorganic Coordination Compound.

    ERIC Educational Resources Information Center

    Yasui, Takaji; And Others

    1989-01-01

    Discussed is a technique used by Alfred Werner to resolve inorganic coordination compounds. The materials, procedures and analysis necessary for undergraduates to repeat this procedure are described. (CW)

  8. [Coordination compounds of Pd(II) with potential antitumor activity].

    PubMed

    González Vílchez, F; García Basallote, M; Benítez Ordóñez, J; Vilaplana Serrano, R

    1982-01-01

    The first results about the anti-neoplastic activity of Pd(II) ion coordinative compounds with complexones of the ethylenediamine-tetraacetic acid type are described. The assays employing Ehrlich ascites cancer of the mouse show that the presence of substitutes in the ethylenediamine skeleton originates important changes of the activity of such compounds.

  9. Controlled coordination in vanadium(V) dimethylhydrazido compounds.

    PubMed

    Sakuramoto, Takashi; Moriuchi, Toshiyuki; Hirao, Toshikazu

    2016-11-01

    The vanadium(V) dimethylhydrazido compounds were structurally characterized to elucidate the effect of the alkoxide ligands in the coordination environment of vanadium(V) hydrazido center. The single-crystal X-ray structure determination of the vanadium(V) dimethylhydrazido compound with isopropoxide ligands revealed a dimeric structure with the V(1)-N(1) distance of 1.680(5)Å, in which each vanadium atom is coordinated in a distorted trigonal-bipyramidal geometry (τ5=0.81) with the hydrazido and bridging isopropoxide ligands in the apical positions. On the contrary, nearly tetrahedral arrangement around the vanadium metal center (τ4=0.06) with the V(1)-N(1) distance of 1.660(2)Å was observed in the vanadium(V) dimethylhydrazido compound with tert-butoxide ligands. The introduction of the 2,2',2″-nitrilotriethoxide ligand led to a pseudo-trigonal-bipyramidal geometry (τ5=0.92) at the vanadium center with the V(1)-N(1) distance of 1.691(5)Å, wherein vanadium atom is pulled out of the plane formed by the nitrilotriethoxide oxygen atoms in the direction of the hydrazido nitrogen. The coordination from the apical ligand in the vanadium(V) dimethylhydrazido compound was found to result in the longer V(1)-N(1) distance.

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

    NASA Astrophysics Data System (ADS)

    Sharma, Amit Kumar; Chandra, Sulekh

    2013-02-01

    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)]X2 and [Co(L)X2], where M = Ni(II) and Cu(II), and X=NO3- 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 (giso = 2.11-2.22) and tetragonal geometry Co(II) complexes (giso = 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).

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

    ERIC Educational Resources Information Center

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

    ERIC Educational Resources Information Center

    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)

  13. New coordination compounds of Cr(III) used in leather tanning

    NASA Astrophysics Data System (ADS)

    Crudu, Marian; Sibiescu, Doina; Rosca, Ioan; Sutiman, Daniel; Vizitiu, Mihaela; Apostolescu, Gabriela

    2009-01-01

    Some new coordination compounds of Cr(III) using as ligand N-hydroxy - succinimide, were obtained and studied. The combination ratio, central atom: ligand were 1:1; 1:2 and 1:3. The new complex compounds were studied using UV-Vis spectroscopy, conductance and pH measurements. The studies of obtaining and of stability of the new compounds were accomplished in aqueous solutions using methods characteristic for coordination compounds: conductance and pH measurements. The combination ratios and the stability constants were determined with methods characteristic for studies in solutions.

  14. Production of molybdenum-coordinating compound by Bacillus thuringiensis.

    PubMed

    Ketchum, P A; Owens, M S

    1975-05-01

    Bacillus thuringiensis (ATCC 10792) produces a molybdenum reactive compound (given the trivial name chelin) during growth on iron-deficient medium. This compound accumulates in the culture medium in direct relation to the amount of L-arginine added and reaches a maximum concentration 24 to 48 h after the stationary phase of growth. Chelin absorbs light in the ultraviolet region with absorption maxima at 315 and 248 nm and minima at 284 and 240 nm. Chelin reacts with Na2MoO4, but not with Mo2O4(H2O)6-2+, to form a bright yellow molybdo-chelin complex which absorbs light with an absorption maximum at 330 nm, a minimum at 288 nm, and shoulders at 255 and 400 nm. The differential absorption of molybdo-chelin versus chelin at 425 nm can be used to quantify chelin. This differential absorbance is linear with increasing concentrations of Na2MoO4 and was used to calculate the molar extinction coefficient of molybdochelin at 425 nm (epsilon similar to 6,200). Chelin binds MoO4-2 minus to form a complex (molybdochelin) which migrates as a single band and elutes as a single peak, during acrylamide gel electrophoresis and Sephadex G-15 gel filtration. Molecular weight determinations using Sephadex G-15 gel filtration resulted in an estimated molecular weight of 550 for chelin and an estimated molecular weight of 760 for molybdo-chelin. The peptide nature of chelin is indicated by its positive ninhydrin reaction on thin-layer chromatography plates and by the presence of amino acids in acid-hydrolyzed samples. The major amino acid residues detected were threonine, glycine, and alanine.

  15. Biological and Clinical Aspects of Lanthanide Coordination Compounds

    PubMed Central

    Misra, Sudhindra N.; M., Indira Devi; Shukla, Ram S.

    2004-01-01

    The coordinating chemistry of lanthanides, relevant to the biological, biochemical and medical aspects, makes a significant contribution to understanding the basis of application of lanthanides, particularly in biological and medical systems. The importance of the applications of lanthanides, as an excellent diagnostic and prognostic probe in clinical diagnostics, and an anticancer material, is remarkably increasing. Lanthanide complexes based X-ray contrast imaging and lanthanide chelates based contrast enhancing agents for magnetic resonance imaging (MRI) are being excessively used in radiological analysis in our body systems. The most important property of the chelating agents, in lanthanide chelate complex, is its ability to alter the behaviour of lanthanide ion with which it binds in biological systems, and the chelation markedly modifies the biodistribution and excretion profile of the lanthanide ions. The chelating agents, especially aminopoly carboxylic acids, being hydrophilic, increase the proportion of their complex excreted from complexed lanthanide ion form biological systems. Lanthanide polyamino carboxylate-chelate complexes are used as contrast enhancing agents for Magnetic Resonance Imaging. Conjugation of antibodies and other tissue specific molecules to lanthanide chelates has led to a new type of specific MRI contrast agents and their conjugated MRI contrast agents with improved relaxivity, functioning in the body similar to drugs. Many specific features of contrast agent assisted MRI make it particularly effective for musculoskeletal and cerebrospinal imaging. Lanthanide-chelate contrast agents are effectively used in clinical diagnostic investigations involving cerebrospinal diseases and in evaluation of central nervous system. Chelated lanthanide complexes shift reagent aided 23Na NMR spectroscopic analysis is used in cellular, tissue and whole organ systems. PMID:18365075

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

    PubMed

    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. The catalase, peroxidase, and oxidase properties of the coordination compounds of manganese

    NASA Astrophysics Data System (ADS)

    Sychev, Aleksei Ya; Isak, V. G.

    1993-03-01

    The experimental data on the oxidation-reduction catalysis by coordination compounds of manganese(II) of reactions involving the decomposition of H2O2 and the oxidation of organic substances by hydrogen peroxide and molecular oxygen are surveyed and modern ideas on these topics are described. The bibliography includes 170 references.

  18. Two new hybrid compounds assembled from Keggin-type polyoxometalates and transition metal coordination complexes

    SciTech Connect

    Wang Yan; Zou, Bo; Xiao Lina; Jin Ning; Peng Yu; Wu Fengqing; Ding Hong; Wang Tiegang; Gao Zhongmin; Zheng Dafang; Cui Xiaobing; Xu Jiqing

    2011-03-15

    Two new hybrid compounds based on Keggin-type polyoxometalates: {l_brace}[PMo{sub 12}O{sub 40}][Ni(Phen){sub 2}(H{sub 2}O)]{sub 2{r_brace}}.K.2OH{sup -} (1) and [Cd{sub 2}(Phen){sub 4}Cl{sub 2}][HPW{sub 12}O{sub 40}].H{sub 2}O (2) (Phen=1,10-phenanthroline), have been prepared and characterized by IR, UV-vis, XPS, XRD and single crystal X-ray diffraction analyses. Compound 1 exhibits a 1-D chain structure constructed from Pseudo-Keggin polyoxometalate bi-supported transition metal coordination complexes linked by K{sup +} ions. Compound 2 contains Pseudo-Keggin polyoxoanions [HPW{sub 12}O{sub 40}]{sup 2-} and novel metal-chloride-ligand coordination complexes [Cd{sub 2}(Phen){sub 4}Cl{sub 2}]{sup 2+}. -- Graphical abstract: Two new hybrid compounds based on different Keggin-type polyoxometalates have been hydrothermally synthesized and characterized by IR, UV-Vis, XPS, XRD, elemental analysis and single crystal X-ray diffraction analysis. Display Omitted Research highlights: {yields} Two hybrids based on Pseudo-Keggin polyanions and metal coordination complexes. {yields} 1-D structure formed by polyanion bisupported metal coordination units linked by K{sup +}. {yields} A metal-chloride-ligand coordination complex [Cd{sub 2}(Phen){sub 4}Cl{sub 2}]{sup 2+}. {yields} A hybrid based on polyanions and metal-chloride-ligand coordination complexes.

  19. Novel antihelmintic activity of tinidazole coordination compounds. Relevance of the metal ion and structural properties.

    PubMed

    Alfaro-Fuentes, Israel; Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Medina-Guerrero, Rosa María; Soler-Jiménez, Lilia Catherinne; Martínez-Rodríguez, Irma; Betancourt-Lozano, Miguel; Ibarra-Castro, Leonardo; Barba-Behrens, Norah; Fajer-Ávila, Emma Josefina

    2017-11-01

    The in vitro and in vivo antihelmintic activity of cobalt(II), copper(II) and zinc(II) coordination compounds of tinidazole (tnz) were investigated in cultivated spotted rose snapper, infested with dactylogyrid monogeneans. The tinidazole coordination compounds [Co(tnz)2Cl2], [Co(tnz)2Br2], [Cu(tnz)2Cl2], [Cu(tnz)2Br2], [Zn(tnz)2Cl2] and [Zn(tnz)2Br2] were synthesized and spectroscopically characterized. Their molecular structures were determined by their single crystal X-ray diffraction. The metal ions presented distorted tetrahedral geometries, with an intramolecular bifurcated lone pair SO⋯π, from the sulfone group with the imidazolic ring, which contributed to the stability of the compounds in solid state and in solution. Adults of dactylogyrids were exposed in vitro to tinidazole and its coordination compounds. The effective median concentrations of copper(II) coordination compounds were lower than those of cobalt(II) and zinc(II), tnz showed no activity. In vivo oral intubation tests were carried out with [Cu(tnz)2Br2], [Zn(tnz)2Br2] and tnz on snappers infected with dactylogyrids, where the copper(II) compound showed better activity. The absorption and distribution assessment for the [Cu(tnz)2Br2], showed that copper concentrations in liver were significantly higher than in blood and gills, indicating bioaccumulation in this organ. In vivo baths of [Cu(tnz)2Br2] at 25mg/L showed an effective (95% at 8h) antihelmintic effect, while [Zn(tnz)2Br2] had low antihelmintic efficacy. This study indicates that [Cu(tnz)2Br2] has an effective antihelmintic activity towards dactylogyrids monogeneans affecting cultivated spotted red snapper. Copyright © 2017 Elsevier Inc. All rights reserved.

  20. Infrared spectra and normal coordinate analysis of a model compound for superoxide dismutase

    NASA Astrophysics Data System (ADS)

    Yin, Jun; Li, Chongde; Chen, Xianyang; Luo, Qinhui

    1997-10-01

    Infrared spectra have been measured and vibrational assignment are given for a new model compound of superoxide dismutase (SOD): [(tren)CuimZn(tren)](ClO 4) 3·CH 3OH (where tren = tris(2-aminoethyl)amine, im = imidazolate). In order to check the empirical assignment, we have performed a detailed normal coordinate analysis (NCA) based on a Urey-Bradley force field. Due to introducing an appropriate set of internal coordinates and force constants in the course of calculation, the agreement between the experimental and calculated frequencies is satisfactory.

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

    PubMed

    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.

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

    PubMed Central

    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

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

    PubMed

    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.

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

    PubMed

    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.

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

    SciTech Connect

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

    2011-11-15

    The reaction of pyridoxine with manganese sulfate in an aqueous solution gave the coordination compound MnSO{sub 4} {center_dot} 2C{sub 8}H{sub 11}O{sub 3}N {center_dot} 2H{sub 2}O (I). The structure of I was determined from single-crystal X-ray diffraction data. In the centrosymmetric complex (sp. gr. P1-bar, 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 CH{sub 2}OH 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.

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

    PubMed

    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.

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

    PubMed

    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.

  8. First structural determination of a trivalent californium compound with oxygen coordination.

    PubMed

    Sykora, Richard E; Assefa, Zerihun; Haire, Richard G; Albrecht-Schmitt, Thomas E

    2006-01-23

    Single crystals of Cf(IO(3))(3) (1) were synthesized by the hydrothermal reaction of CfCl(3) and H(5)IO(6), and the structure was determined with single-crystal X-ray diffraction. This structural determination of 1 represents the first for a trivalent californium compound containing oxygen coordination. This compound has been further characterized with the use of Raman spectroscopy and emission spectroscopy. Crystallographic data: Cf(IO(3))(3), monoclinic, space group P2(1)/n, a = 8.7994(10) A, b = 5.9388(7) A, c = 15.157(2) A, beta = 96.833(2) degrees , V = 786.43(16) A(3), Z = 4 (T = 295 K).

  9. Platinum(II)-Oligonucleotide Coordination Based Aptasensor for Simple and Selective Detection of Platinum Compounds.

    PubMed

    Cai, Sheng; Tian, Xueke; Sun, Lianli; Hu, Haihong; Zheng, Shirui; Jiang, Huidi; Yu, Lushan; Zeng, Su

    2015-10-20

    Wide use of platinum-based chemotherapeutic regimens for the treatment for carcinoma calls for a simple and selective detection of platinum compound in biological samples. On the basis of the platinum(II)-base pair coordination, a novel type of aptameric platform for platinum detection has been introduced. This chemiluminescence (CL) aptasensor consists of a designed streptavidin (SA) aptamer sequence in which several base pairs were replaced by G-G mismatches. Only in the presence of platinum, coordination occurs between the platinum and G-G base pairs as opposed to the hydrogen-bonded G-C base pairs, which leads to SA aptamer sequence activation, resulting in their binding to SA coated magnetic beads. These Pt-DNA coordination events were monitored by a simple and direct luminol-peroxide CL reaction through horseradish peroxidase (HRP) catalysis with a strong chemiluminescence emission. The validated ranges of quantification were 0.12-240 μM with a limit of detection of 60 nM and selectivity over other metal ions. This assay was also successfully used in urine sample determination. It will be a promising candidate for the detection of platinum in biomedical and environmental samples.

  10. [Structure-activity relations of antineoplastic platinum II and platinum IV coordination compounds].

    PubMed

    Gutsche, W; Baumgart, J; Schröer, H P

    1989-01-01

    Five diammine-Pt(II) or Pt(IV) coordination compounds, namely cis-diammine-dichloro-platinum (II) "cis-DDP", transdihydroxy-cis-diammine-dichloro-platinum (IV) "trans-ODDP", and derived substitution products of lactic acid (racemates or L-forms) with diminished toxicity in comparison to cis-DDP have been tested against mouse leukemia P388, and partly on melanoma B16 for antineoplastic activity. The results have been compared with those obtained with the clinical approved cis-DDP. They were not in every way equal to the antitumor efficiency of cis-DDP. Improved physicochemical properties as well as favorable differences of side effects in contrast to cis-DDP, could be decisive for the potential value of these substances.

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

    NASA Astrophysics Data System (ADS)

    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).

  12. Diels-Alder reactions of inert aromatic compounds within a self-assembled coordination cage.

    PubMed

    Horiuchi, Shinnosuke; Murase, Takashi; Fujita, Makoto

    2011-07-04

    A self-assembled coordination cage serves as a nanometer-sized molecular flask to promote the Diels-Alder reactions of aromatic hydrocarbons with N-cyclohexylmaleimide. The coordination cage accelerated the Diels-Alder reaction of anthracene at the electronically unfavorable, terminal benzene ring to give a compact, cavity-restrained syn-adduct. Activation-parameter measurements for the reactions revealed considerable reduction in the entropy cost, and preorganization of the substrates is a dominant factor in the enhanced reactivity. Owing to this entropy-cost reduction, otherwise-unreactive aromatic compounds, such as naphthalenes or triphenylene, also underwent Diels-Alder reactions in a regio- and stereocontrolled fashion. In the naphthalene Diels-Alder reaction, X-ray crystallographic analysis of the guest-inclusion complex clarified the reinforced orientation and proximity of the substrate pairs before the reaction. A perylene Diels-Alder adduct was stabilized inside the cage and protected from aerial oxidation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

  15. From discrete to infinite 3D coordination polymer: Sonochemical syntheses and structural characterization of a new nano flower lead (II) coordination compound

    NASA Astrophysics Data System (ADS)

    Chung, Jin-Hwan; Min, Bong-Ki; Kim, Young Kyung; Kim, Kyo-Han; Kwon, Tae-Yub

    2014-11-01

    Nano flower of a new discrete Pb (II) coordination compound, [Pb(pcih)2] (1), (pcih = 2-pyridinecarbaldehyde isonicotinoylhy-drazonate), have been synthesized by a sonochemical process and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), FT-IR spectroscopy and elemental analyses. Structural determination of compound 1 reveals the Pb (II) ion is six coordinated, bonded to four nitrogen and two oxygen atoms from two “pcih” ligands. Through strong π-π interactions, the overall structure of 1 is 1D supramolecular chain and with other directional intermolecular interactions, it is further extended into a three dimensional (3D) supramolecular structure. Density functional theory calculations (B3LYP functional) have been performed on complex 1 to provide a qualitative theoretical interpretation of their structural parameters, charge distributions and IR spectra. PbO nanoparticles are obtained by thermolysis of 1 at 180 °C with oleic acid as a surfactant.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed Central

    Slenters, Tünde Vig; Sagué, Jorge L.; Brunetto, Priscilla S.; Zuber, Stefanie; Fleury, Antoine; Mirolo, Laurent; Robin, Adeline Y.; Meuwly, Markus; Gordon, Oliver; Landmann, Regine; Daniels, Alma U.; Fromm, Katharina M.

    2010-01-01

    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.

  1. Alkaline earth complexes of silylated aminopyridinato ligands: homoleptic compounds and heterobimetallic coordination polymers.

    PubMed

    Ortu, Fabrizio; Moxey, Graeme J; Blake, Alexander J; Lewis, William; Kays, Deborah L

    2013-11-04

    The synthesis and characterization of magnesium and calcium complexes of sterically demanding aminopyridinato ligands is reported. The reaction of the 2-Me3SiNH-6-MeC5H3N (L(1)H), 2-MePh2SiNH-6-MeC5H3N (L(2)H), and 2-Me3SiNH-6-PhC5H3N (L(3)H) with KH in tetrahydrofuran (THF) yielded potassium salts L(1)K(thf)0.5 (1), L(2)K (2), and L(3)K(thf)0.5 (3), which, through subsequent reaction with MgI2 and CaI2, afforded the homoleptic complexes (L)2Ae(thf)n [L = L(1), Ae = Mg, n = 1 (4); L = L(2), Ae = Mg, n = 0 (5); L = L(3), Ae = Mg, n = 0 (6); L = L(2), Ae = Ca, n = 2 (7)] and heterobimetallic calciates {[(L)3Ca]K}∞ [L = L(1) (8); L = L(2) (9)]. The solid state structure of 8 reveals a polymeric arrangement in which the calciate units are interlocked by bridging potassium ions. Metalation reactions between L(1)H or L(2)H and ((n)Bu)2Mg lead to the solvent-free compounds (L)2Mg [L = L(1) (10); L = L(2) (5)]. The bridged butyl mixed-metal complex [(L(1))Li(μ2-(n)Bu)Mg(L(1))]∞ (11) was also obtained via a cocomplexation reaction with (n)BuLi and ((n)Bu)2Mg. 11, which adopts a monodimensional polymeric array in the solid state, is a rare example of an alkyl-bridged Li/Mg complex and the first complex to feature an unsupported bridging butyl interaction between two metals. Changing the cocomplexation reaction conditions, the order of reagents added to the reactions mixture, and with the use of a coordinating solvent (tetrahydrofuran) formed the magnesiate complex (L(1))3MgLi(thf) (12).

  2. Empirical force field for cisplatin based on quantum dynamics data: case study of new parameterization scheme for coordination compounds.

    PubMed

    Yesylevskyy, S; Cardey, Bruno; Kraszewski, S; Foley, Sarah; Enescu, Mironel; da Silva, Antônio M; Dos Santos, Hélio F; Ramseyer, Christophe

    2015-10-01

    Parameterization of molecular complexes containing a metallic compound, such as cisplatin, is challenging due to the unconventional coordination nature of the bonds which involve platinum atoms. In this work, we develop a new methodology of parameterization for such compounds based on quantum dynamics (QD) calculations. We show that the coordination bonds and angles are more flexible than in normal covalent compounds. The influence of explicit solvent is also shown to be crucial to determine the flexibility of cisplatin in quantum dynamics simulations. Two empirical topologies of cisplatin were produced by fitting its atomic fluctuations against QD in vacuum and QD with explicit first solvation shell of water molecules respectively. A third topology built in a standard way from the static optimized structure was used for comparison. The later one leads to an excessively rigid molecule and exhibits much smaller fluctuations of the bonds and angles than QD reveals. It is shown that accounting for the high flexibility of cisplatin molecule is needed for adequate description of its first hydration shell. MD simulations with flexible QD-based topology also reveal a significant decrease of the barrier of passive diffusion of cisplatin accross the model lipid bilayer. These results confirm that flexibility of organometallic compounds is an important feature to be considered in classical molecular dynamics topologies. Proposed methodology based on QD simulations provides a systematic way of building such topologies.

  3. The intra-annular acylamide chelate-coordinated compound: The keto-tautomer of metal (II) milrinone complex

    NASA Astrophysics Data System (ADS)

    Gong, Yun; Liu, Jinzhi; Tang, Wang; Hu, Changwen

    2008-03-01

    In the presence of N, N'-dimethyllformamide (DMF), two isostructural metal (II)-milrinone complexes formulated as M(C 12H 8N 3O) 2 (M = Co 1 and Ni 2) have been synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The two compounds crystallize in the tetragonal system, chiral space group P4 32 12. They exhibit similar two dimensional (2D) square grid-like framework, in which milrinone acts as a ditopic ligand with its terminal pyridine and intra-annular acylamide groups covalently bridging different metal centers. The intra-annular acylamide ligand shows a chelate-coordinated mode. Compounds 1 and 2 are stable under 200 °C. Compound 3 formulated as (C 12H 9N 3O) 4·H 2O was obtained in the presence of water, the water molecule in the structure leads to the racemization of compound 3 and it crystallizes in the monoclinic system, non-chiral space group P2 1/ c. Milrinone exhibits a keto-form in the three compounds and compounds 1- 3 exhibit different photoluminescence properties.

  4. Coordination compounds of tetravalent silicon, germanium and tin: the structure, chemical bonding and intermolecular interactions in them

    NASA Astrophysics Data System (ADS)

    Korlyukov, A. A.

    2015-04-01

    The review is devoted to analysis and generalization of the results of (i) quantum chemical studies on the structure, chemical bonding and intermolecular interactions in coordination compounds of tetravalent silicon, germanium and tin in crystals, in solutions and in the gas phase and (ii) experimental investigations of the electron density distribution in these systems. The bibliography includes 147 references. In memoriam of Corresponding Member of the Russian Academy of Sciences M Yu Antipin (1951 - 2013), Academician of the Russian Academy of Sciences M G Voronkov (1921 - 2014) and Dr. S P Knyazev, Lomonosov Moscow University of Fine Chemical Technology (1949 - 2012).

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

    PubMed

    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.

  6. Intramolecular N→Sn coordination in tin(II) and tin(IV) compounds based on enantiopure ephedrine derivatives.

    PubMed

    Zöller, Thomas; Iovkova-Berends, Ljuba; Berends, Thorsten; Dietz, Christina; Bradtmöller, Gerrit; Jurkschat, Klaus

    2011-09-05

    The syntheses and molecular structures of the intramolecularly coordinated tin(II) compounds {CH(2)N(Me)CH(Me)CH(Ph)O}(2)SnL (2, L = lone pair; 4, L = W(CO)(5); 5, L = Cr(CO)(5)) and of the related hydroxido-substituted tin(IV) compound [{CH(2)N(Me)CH(Me)CH(Ph)O}(2)Sn(OH)](2)O, 6a, are reported. Also reported are the molecular structures of the enantiopure N,N'-ethylenebis-(1R,2S)-ephedrine, {CH(2)N(Me)CH(Me)CH(Ph)OH}(2) (1), and its hydrobromide {CH(2)N(Me)CH(Me)CH(Ph)OH}(2)·HBr (1a).

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

    PubMed

    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.

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

    NASA Astrophysics Data System (ADS)

    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).

  9. Coordination of metronidazole to Cu(II): Structural characterization of a mononuclear square-planar compound

    NASA Astrophysics Data System (ADS)

    Palmer, Joshua H.; Wu, Ja-Shin; Upmacis, Rita K.

    2015-07-01

    The reaction between metronidazole [1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole, MET] and CuCl2ṡ2H2O in methanol solution has allowed isolation of blue crystals of composition Cu(MET)2Cl2ṡMeOH. These crystals have been shown by X-ray diffraction to consist of mononuclear square-planar trans-Cu(MET)2Cl2 molecules in which the metronidazole ligands are trans to each other, as are the Cl ligands. The structure of this compound is very different from other compounds that have been obtained from the reaction between CuCl2ṡ2H2O and metronidazole, namely [Cu(MET)2(μ-Cl)Cl]2 and [Cu(MET)2(μ-Cl)(OH2)]2[Cl]2, which are dimers featuring bridging chloride ligands.

  10. Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives

    PubMed Central

    E. Stieber, S. Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R.; Finkelstein, Kenneth D.; Wieghardt, Karl

    2012-01-01

    The electronic structures of the four- and five-coordinate aryl-substituted bis(imino)pyridine iron dinitrogen complexes, (iPrPDI)FeN2 and (iPrPDI)Fe(N2)2 (iPrPDI = 2,6-(2,6-iPr2-C6H3-N=CMe)2C5H3N), have been investigated by a combination of spectroscopic techniques (NMR, Mössbauer, X-ray Absorption and X-ray Emission) and DFT calculations. Homologation of the imine methyl backbone to ethyl or isopropyl groups resulted in the preparation of the new bis(imino)pyridine iron dinitrogen complexes, (iPrRPDI)FeN2 (iPrRPDI = 2,6-(2,6-iPr2-C6H3-N=CR)2C5H3N; R = Et, iPr), that are exclusively four coordinate both in the solid state and in solution. The spectroscopic and computational data establish that the (iPrRPDI)FeN2 compounds are intermediate spin ferrous derivatives (SFe = 1) antiferromagnetically coupled to bis(imino)pyridine triplet diradical dianions (SPDI = 1). While this ground state description is identical to that previously reported for (iPrPDI)Fe(DMAP) (DMAP = 4-N,N-dimethylaminopyridine) and other four-coordinate iron compounds with principally σ-donating ligands, the d-orbital energetics determine the degree of coupling of the metal-chelate magnetic orbitals resulting in different NMR spectroscopic behavior. For (iPrRPDI)Fe(DMAP) and related compounds, this coupling is strong and results in temperature independent paramagnetism where a triplet excited state mixes with the singlet ground state via spin orbit coupling. In the (iPrRPDI)FeN2 family, one of the iron SOMOs is essentially dz2 in character resulting in poor overlap with the magnetic orbitals of the chelate, leading to thermal population of the triplet state and hence temperature dependent NMR behavior. The electronic structures of (iPrRPDI)FeN2 and (iPrPDI)Fe(DMAP) differ from (iPrPDI)Fe(N2)2, a highly covalent molecule with a redox non-innocent chelate that is best described as a resonance hybrid between iron(0) and iron(II) canonical forms as originally proposed in 2004. PMID:22675236

  11. Coordination compounds of zinc(II) and N-alkylphenothiazines: synthesis and characterization

    NASA Astrophysics Data System (ADS)

    Gowda, Netkal M. Made; Pacquette, H. Lawrence; Kim, Doo-Hyung; Jayaram, Beby

    1996-08-01

    Zinc(II) chloride/acetate complexes of title ligands have been synthesized in {MeOH}/{water} medium. The compounds were characterized by their elemental analyses, molar conductivity, magnetic susceptibility, and spectroscopic data. The molecular formulas of the new complexes were found to be: [(C 17H 20ClN 2S) 4ZnCl 2]Cl 4 where C 17H 20ClN 2S = protonated chlorpromazine; [(C 19H 25N 2S) 2ZnCl 2]Cl 2 where C 19H 25N 2S = protonated ethopropazine; [(C 17H 21N 2S) 2ZnCl]Cl 3 where C 17H 21N 2S = protonated promethazine; [(C 21H 27N 2S 2) 2ZnCl 2]Cl 2 .MeOH and [(C 21H 27N 2S 2)ZnCl](OAc) 2 where C 21H 27N 2S 2 = protonated thioridazine; and [(C 21H 26F 3N 3S)ZnCl 3]Cl where C 21H 26F 3N 3S = diprotonated trifluoperazine. All compounds are diamagnetic and ionic in nature. Structures for the complexes are proposed.

  12. Intense turquoise colors of apatite-type compounds with Mn5+ in tetrahedral coordination

    NASA Astrophysics Data System (ADS)

    Medina, Elena A.; Li, Jun; Stalick, Judith K.; Subramanian, M. A.

    2016-02-01

    The solid solutions of chlorapatite compounds Ba5Mn3-xVxO12Cl (x = 0-3.0) and Ba5Mn3-xPxO12Cl (x = 0-3.0) have been synthesized through solid state reactions and Pechini or sol-gel method using citric acid. The colors of the samples change from white (x = 3.0) through turquoise (x = 1.5) to dark green (x = 0) with increasing amount of manganese. Optical measurements reveal that the origin of the color is presumably a combination of d-d transitions of Mn5+ and cation-anion charge transfer from transition metals to oxygens. Near IR reflectance measurements indicate that synthesized compounds are promising materials for "cool pigments" applications. Magnetic measurements verify that manganese has two unpaired electrons and exhibits 5 + oxidation state. The IR spectra change systematically with sample compositions and the fingerprint region (700 cm-1 to 1100 cm-1) indicates characteristic bands belonging to (MnO4)3-, (VO4)3- and (PO4)3- functional groups. Structure refinements using neutron data confirm that Mn5+, V5+ and P5+ cations occupy the tetrahedral sites in the apatite structure.

  13. [Nephrotoxicity and myelotoxicity of antineoplastic Pt(II) and Pt(IV) coordination compounds in rats].

    PubMed

    Horn, U; Härtl, A; Neuhaus, G; Stöckel, U; Schröer, H P; Hoffmann, H

    1989-01-01

    In comparison with cis-DDP four new platinum (II) and platinum (IV) complexes were evaluated for their acute nephrotoxic and myelotoxic potency in male rats following i.v. administration of maximum tolerated doses on 5 consecutive days. Parameters for nephrotoxicity determined on day 6, 13 and 22 after the first administration of the drugs included blood, urea nitrogen, serum creatinine, urine volume, urinary glucose and tubule cell excretion. Parameters for myelotoxicity determined on the same days included leucocytes, platelets, hemoglobin and hematocrit. Cis-DDP was found to be the most nephrotoxic compound. The myelotoxicity of the new platinum complexes appeared to be similar to that of cis-DDP with exception of trans-ODDP.

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

    NASA Astrophysics Data System (ADS)

    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-).

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

    NASA Astrophysics Data System (ADS)

    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.

  16. A new five-coordinated copper compound for efficient degradation of methyl orange and Congo red in the absence of UV-visible radiation.

    PubMed

    Han, Li-Juan; Kong, Ya-Jie; Yan, Ting-Jiang; Fan, Lu-Tong; Zhang, Qi; Zhao, Hua-Jun; Zheng, He-Gen

    2016-11-22

    A new copper-based coordination compound Cu2(2,2'-bipy)2(pfbz)4 (1) (where 2,2'-bipy = 2,2'-bipyridine; pfbz = pentafluorobenzoate), was hydrothermally synthesized and structurally characterized. Compound 1 having a binuclear structure consists of two copper cations and two oxygen atoms alternately in a plane square arrangement. In the presence of very small amounts of H2O2, the catalytic properties of compound 1 for the degradation of methyl orange (MO) are excellent in the absence of UV-visible radiation. Moreover, compound 1 presents suitable properties for degradation of Congo red (CR). Our results indicated that the five-coordinated copper compound, 1, will be a promising candidate for efficient degradation of organic dyes.

  17. FTIR spectroscopic characterization of Cu(II) coordination compounds with exopolysaccharide pullulan and its derivatives

    NASA Astrophysics Data System (ADS)

    Mitić, Ž.; Nikolić, G. S.; Cakić, M.; Premović, P.; Ilić, Lj.

    2009-04-01

    Pullulan is a water-soluble, extracellular neutral polysaccharide with a linear flexible chain of α-(1 → 6)-linked maltotriose units, the structure of which is intermediate between pullulan and amylose structures because of the co-existence of both α-(1 → 6) and α-(1 → 4)-glycosidic linkages in single compounds. In alkali solutions Cu(II) ion forms complexes with reduced low-molar pullulan (RLMP). The metal content and the solution composition depends on pH. The complexing process begins in a weak alkali solution (pH > 7), and involves OH groups in C(2) and C(3) or C(6) pullulan monomer units (α- D-glucopyranose). Complexes of Cu(II) ion with reduced low-molar pullulan were synthesized in the water solutions, at the boiling temperature and at different pH values (7.512). Fourier-Transform Infrared (FTIR) spectroscopic data of synthesized complexes are rare in literature. FTIR spectroscopic characterization (FTIR, LNT-FTIR, ATR-FTIR, and FTIR microspectroscopy) of Cu(II) ion complexes with RLMP ( M w 6000 g mol -1) was carried out in this work. The similarities of the γ(C sbnd H) range in a part of FTIR spectra indicate that there is no difference in the conformation of the C 1 glucopyranose (Glc) unit in the RLMP and synthesized Cu(II) complexes. The complexing Cu(II) ion with RLMP in the dependence from the pH form different types of complex (pH 7-8: Cu(II)(Glc) 2(H 2O) 2, pH 8-10: Cu(II)(Glc) 2(H 2O)(OH), pH 10-12: Cu(II)(Glc) 2(OH) 2).

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

    PubMed

    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

    2014-02-03

    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. Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction.

    PubMed

    Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael

    2017-03-21

    New diorganobismuth(iii) bromides of type [RN(CH2C6H4)2]BiBr [R = C6H5CH2 (1), C6H5CH2CH2 (2), and CH3OCH2CH2 (3)], based on the heterocyclic butterfly-like tetrahydro-dibenzo[c,f][1,5]azabismocine framework, were prepared starting from the corresponding RN(CH2C6H4Br-2)2 in a succession of reactions including ortho-lithiation and treatment of the dilithio derivative with BiBr3 in a 1 : 1 molar ratio. Further exchange reactions between bromides and appropriate metal halides or ammonium fluoride resulted in the formation of [RN(CH2C6H4)2]BiX [X = Cl and I for R = C6H5CH2 (4 and 5) and C6H5CH2CH2 (6 and 7) and X = F (8), Cl (9), and I (10) for R = CH3OCH2CH2]. All ten compounds were structurally characterized in solution by NMR and in the solid state by single-crystal X-ray diffraction. Strong transannular N→Bi interactions were observed in all the investigated diorganobismuth(iii) halides, thus giving rise to hypervalent 10-Bi-4 species in 1, 2, 4-7 and 12-Bi-5 species in 3, 8-10, where the oxygen atom in the pendant arm is intramolecularly coordinated to bismuth. The molecules are associated in dimeric units by strong Biπ arene interactions in 3, 4, and 10 (approx. 3.50 Å) and by BiX interactions in 1, 5, and 7. Bromide 1, chloride 4, and iodide 5 are isostructural, but stronger polarization of the Bi-Cl bond favors Biπ arene interaction in 4 over Bihalide interactions, as observed in 1 and 5. In the isostructural series [RN(CH2C6H4)2]BiX (R = CH3OCH2CH2), Bioxygen interactions compensate the electron deficiency at bismuth in fluoride 8 and chloride 9, whereas the coordination sphere of bismuth is completed by a combination of Biπ arene and Bihalide interactions in bromide 3 and only by Biπ arene interactions in iodide 10. Moreover, weak Hπ arene and HX intermolecular interactions, mainly of dispersion type, contribute to supramolecular networks in all three series of compounds.

  20. Coordination geometry of monomeric, dimeric and polymeric organotin(IV) compounds constructed from 5-bromopyridine-2-carboxylic acid and mono-, di- or tri-organotin precursors

    NASA Astrophysics Data System (ADS)

    Hong, Min; Yin, Han-Dong; Zhang, Yan-Wei; Jiang, Jin; Li, Chuan

    2013-03-01

    Reactions of mono-, di-, tri-alkyltin chlorides or oxide with 5-bromopyridine-2-carboxylic acid result in five new organotin(IV) compounds, [MeSn(O2CC5NH3Br)Cl2(H2O)]·(C2H5)2O (1), [(n-Bu)Sn(O2CC5NH3Br)Cl2(H2O)]·(C2H5)2O (2), {[(n-Bu)2Sn(O2CC5NH3Br)]2O}2 (3) [(n-Bu)3Sn(O2CC5NH3Br)]n (4) and [Ph3Sn(O2CC5NH3Br)]n (5), which have been characterized by single crystal X-ray diffraction, element analysis, IR, 1H, 13C and 119Sn NMR. Three different coordination modes for the ligand are demonstrated in this group of compounds: (1) bidentate mode with the pyridyl nitrogen atom and carboxyl oxygen atom for mono-alkyltin compounds 1 and 2, in which six-coordinated tin center is also bound with two chlorine ions and one water molecule; (2) compound 3 is a tetranuclear centrosymmetric dimer with a central Sn2O2 four-membered ring. The four tin atoms are linked by two bridging carboxyl groups while the remaining two act as monodentate ligands to the endo- and exo-cyclic tin atoms; (3) for tri-alkyltin compounds 4 and 5, the bidentate bridging carboxylic group coordinates with two different tin atoms through the Snsbnd Osbnd Cdbnd O → Sn bond, and the carboxylate bridge propagates 1D polymeric chains, typical for five coordinate tin. However, in compounds 3-5, the pyridyl nitrogen atoms do not participate in the coordination. For triorganotin(IV) polymers 4 and 5, the solution studies show the collapse of the intermolecular interactions observed in the solid state to yield monomeric species.

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

    NASA Astrophysics Data System (ADS)

    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.

  2. Tetraalkylammonium salts of weakly coordinating aluminates: ionic liquids, materials for electrochemical applications and useful compounds for anion investigation.

    PubMed

    Raabe, Ines; Wagner, Katrin; Guttsche, Kristin; Wang, Mingkui; Grätzel, Michael; Santiso-Quiñones, Gustavo; Krossing, Ingo

    2009-01-01

    In this study, we investigated the tetraalkylammonium salts of the weakly coordinating fluorinated alkoxyaluminates [pftb](-) ([Al(O(C(CF(3))(3))(4)](-)), [hfip](-) ([Al(OC(H)(CF(3))(2))(4)](-)) and [hftb](-) ([Al(OC(CH(3))(CF(3))(2))(4)](-)) in order to obtain information on their undisturbed spectral and structural properties, as well as to study their electrochemical behavior (i.e., conductivities in non-polar solvents and electrochemical windows). Several of the compounds qualify as ionic liquids with melting points as low as 42 degrees C for [NBu(4)](+)[hfip](-). Simple and almost quantitative metathesis reactions yielding these materials in high purity were developed. These [NR(4)](+) salts serve as model compounds for undisturbed anions and their vibrational spectra--together with simulated spectra based on quantum chemical DFT calculations--were used for the clear assignment of the anion bands. Besides, the ion volumes of the anions (V(ion)([pftb](-)) = 0.736 nm(3), V(ion)([hftb](-)) = 0.658 nm(3), V(ion)([hfip](-)) = 0.577 nm(3)) and their decomposition pathways in the mass spectrometric measurements have been established. The salts are highly soluble in non-polar solvents (up to 1.09 mol L(-1) are possible for [NBu(4)](+)[hftb](-) in CH(2)Cl(2) and 0.41 mol L(-1) for [NBu(4)](+)[hfip](-) in CHCl(3)) and show higher molar conductivities if compared to [NBu(4)](+)[PF(6)](-). The electrochemical windows of CH(2)Cl(2), CH(3)CN and 1,2-F(2)C(6)H(4) using the [NBu(4)](+) aluminate electrolytes are up to +0.5 V/-0.7 V larger than those using the standard [NBu(4)](+)[PF(6)](-).

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

    PubMed

    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.

  4. A nine-coordinated dysprosium(III) compound with an oxalate-bridged dysprosium(III) layer exhibiting two slow magnetic relaxation processes.

    PubMed

    Zhang, Sheng; Ke, Hongshan; Liu, Xiangyu; Wei, Qing; Xie, Gang; Chen, Sanping

    2015-10-21

    A 2D oxalate-bridged dysprosium(III) compound, formulated as [Dy(C2O4)1.5(H2O)3]n·2nH2O (1), has been hydrothermally isolated. As for compound 1, structural analysis reveals that the nine-coordinated Dy(III) ions reside in a slightly distorted tricapped trigonal prism. Under an applied magnetic field of 700 Oe, the compound was magnetically characterized as a new example that two slow relaxations of the magnetization processes can be observed in a 2D oxalate-bridged dysprosium(III) layer.

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

    PubMed

    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.

  6. [Influence of coordination compounds of germanium (IV) and stannum (IV) on activity of some microbial enzymes with glycolytic and proteolytic action].

    PubMed

    Varbanets', L D; Matseliukh, O V; Nidialkova, N A; Hudzenko, O V; Avdiiuk, K V; Shmatkova, N V; Seĭfullina, I Ĭ

    2014-01-01

    Influence of coordinative compounds of germanium (IV) and stanum (IV) (complexes of germanium (IV) with nicotinamide (Nad) [GeCl2(Nad)4]Cl2 (1) and complexes of stanum (IV) with 2-hydroxybenzoilhydrazone 4-dimetylaminobenzaldehide (2-OH-HBdb) [SnCl4(2-OH-Bdb-H)] (2), 3-hydroxy-2-naphtoilhydrazone 2-hydroxynaphtaldehide (3-OH-H2Lnf) [SnCl3(3-OH-HLnf)] (3) and izonicotinoilhydrazone 2-hydroxyibenzaldehide [SnCl3 (Is·H)] (4) on activity of peptidases 1 and 2 Bacillus thuringiensis, α-L-rhamnosidase Cryptococcus albidus, Eupenicillium erubescens and α-amylase Aspergillus flavus var. oryzae. Results testify that all studied compounds differ on their influence on activity of the enzymes tested: significantly don't change elastolytic activity of peptidases 1 and 2 B. thuringiensis, completely inhibit A. flavus var. oryzae amylase, activate or oppress of α-L-rhamnosidase C. albidus and E. erubescens. Considerable differences in compounds (3, 4) on activity observed in case of the last. It's possible that peculiarity of influence (1) in compare with (2-4) is connected with existence of different central atoms of complexants: germanium (IV) (1) and stanum (IV) (2-4). A certain analogy in oppression of C. albidus α-L-rhamnosidase by compounds (1) and (4) can explain with presence of a pyridinic ring at molecules of their ligands. The less activsty displayed compound (2) with coordinative knot {SnCl4ON}. Nature of compounds (3, 4) activity was absolutely different: essential increase of activity of C. albidus α-L-rhamnosidase and full oppression of E. erubescens α-L-rhamnosidase by compound (3), while the action of compound (4) was feed back. Taking into account identical coordination knot {SnCl3O2N} the major role in this case play change of a hydrazide fragment in molecules of their ligands.

  7. Sonochemical synthesis, characterization, and effects of temperature, power ultrasound and reaction time on the morphological properties of two new nanostructured mercury(II) coordination supramolecule compounds.

    PubMed

    Hayati, Payam; Rezvani, Ali Reza; Morsali, Ali; Molina, Daniel Ruiz; Geravand, Samira; Suarez-Garcia, Salvio; Villaecija, Miguel Angel Moreno; García-Granda, S; Mendoza-Meroño, Rafael; Retailleau, Pascal

    2017-07-01

    Two new mercury(II) coordination supramolecular compounds (CSCs) (1D and 0D), [Hg(L)(I)2]n (1) and [Hg2(L')2(SCN)2]·2H2O (2) (L=2-amino-4-methylpyridine and L'=2,6-pyridinedicarboxlic acid), have been synthesized under different experimental conditions. Micrometric crystals (bulk) or nano-sized materials have been obtained depending on using the branch tube method or sonochemical irradiation. All materials have been characterized by field emission scanning electron microscope (FESEM), scanning electron microscopy (SEM), powder X-ray diffraction (PXRD) and FT-IR spectroscopy. Single crystal X-ray analyses on compounds 1 and 2 show that Hg(2+) ions are 4-coordinated and 5-coordinated, respectively. Topological analysis shows that the compound 1 and 2 have 2C1, sql net. The thermal stability of compounds 1 and 2 in bulk and nano-size has been studied by thermal gravimetric (TG), differential thermal analyses (DTA) for 1 and differential scanning calorimetry (DSC) for 2, respectively. Also, by changing counter ions were obtained various structures 1 and 2 (1D and 0D, respectively). The role of different parameters like power of ultrasound irradiation, reaction time and temperature on the growth and morphology of the nano-structures are studied. Results suggest that increasing power ultrasound irradiation and temperature together with reducing reaction time and concentration of initial reagents leads to a decrease in particle size. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Coordination chemistry of a bis(benzimidazole) disulfide: eleven membered chelate ring in cobalt(II), zinc(II) and cadmium(II) halide compounds; oxidative disulfide cleavage when coordinated to nickel(II).

    PubMed

    Esparza-Ruiz, Adriana; González-Gómez, Guadalupe; Mijangos, Edgar; Peña-Hueso, Adrián; López-Sandoval, Horacio; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah

    2010-07-21

    Herein we report the synthesis, structural and spectroscopic characterization of coordination compounds with bis[2-(1H-benzimidazol-2-yl)phenyl]disulfide [bis-(2phSbz)] (1) and cobalt(II), zinc(II) and cadmium(II) halides (2-7). Their X-ray diffraction analyses showed that the metal ions present similar distorted tetrahedral structures, with the disulfide ligand coordinated through the imidazolic nitrogen atoms, forming a twisted eleven membered chelate ring. Structures of nickel(II) compounds 8 and 9, showed that the disulfide bond in the ligand was cleaved forming six membered chelates. In 8, the two ligands are sulfides, however in 9 one of them was oxidized to a sulfone. In both compounds the nickel(II) has a distorted square planar geometry and the sulfur atoms are in cis positions. The oxidation reaction of bis-(2phSbz) was performed in KMnO4/NaOH, giving the 2-(1H,3H-benzimidazolium-2-yl)-benzene sulfonate (10). The solid state structure of compounds 2-5 and 7-10 was determined by X-ray diffraction analyses.

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

    PubMed Central

    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 organopentafluorosilicates, and (3) development of the H2O2 oxidation of the silicon-carbon bond and its synthetic applications via the intramolecular hydrosilylation, silicon-tethered intramolecular radical cyclization and Diels-Alder reaction, and some silicon-containing organometallic reagents for nucleophilic hydroxymethylation and hydroxyallylation synthons. PMID:18941292

  10. Synthesis and spectral studies of lanthanides coordination compounds based on N-(diphenylphosphoryl)benzamide. The structure of N-(diphenylphosphoryl)benzamide

    NASA Astrophysics Data System (ADS)

    Kariaka, Nataliia S.; Trush, Victor A.; Sliva, Tatiana Yu.; Dyakonenko, Viktoriya V.; Shishkin, Oleg V.; Amirkhanov, Vladimir M.

    2014-06-01

    N-(diphenylphosphoryl)benzamide (HL), its sodium salt and new lanthanide coordination compounds of general formula LnL3ṡi-PrOH, LnL3Dipy LnL3Phen (Ln = La, Nd, Eu, Gd, Tb; Dipy = α,α‧ - dipyridyl; Phen = 1,10-phenanthroline) have been synthesized. The crystal structure of HL was solved. The polymeric frame of N-(diphenylphosphoryl)benzamide crystal structure was established. The infinite chains of molecules are formed by the Nsbnd HṡṡṡÓ type hydrogen bonds linking neighboring molecules. The synthesized coordination compounds were studied by means of thermo gravimetric analysis, IR, NMR 1H, 31P, absorption and luminescence spectroscopy at 298 and 77 K. The obtained Eu (III) and Tb (III) complexes luminescence characteristics dependence on triplet states of ligands in complexes is discussed.

  11. Technology and optical characterization of luminophore coordination compounds Eu(o-MBA)3Phen and NC PEPC/Eu(o-MBA)3Phen

    NASA Astrophysics Data System (ADS)

    Bordian, Olga; Verlan, Victor; Culeac, Ion; Iovu, Mihail; Zubareva, Vera

    2016-12-01

    Were obtained a new nanocomposite (NC) based on poly N-epoxy prolyl carbazol (PEPC) and the coordination compound luminophore Eu(o-MBA)3Phen, where o-MBA is o- methylbenzoic acid and Phen - phenanthroline. Nanocrystals of Eu(o-MBA)3Phen with the dimensions 50 nm were uniformly incorporated into the PEPC polymer matrix with various concentrations. The absorption spectra of coordination compounds and thin layers of NC PEPC/Eu(o-MBA)3Phen revealed 1 intensive absorption bands at 2.02 eV. Photoluminescence (PL) spectra showed an intense red luminescence at 578 - 699 nm, which is assigned to the transitions 4D0->7Fi (i= 0,1,2 3 4) in the 4f-shell of the Eu3+ ion.

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

    NASA Astrophysics Data System (ADS)

    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

  13. 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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

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

    PubMed

    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.

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

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Synthesis, structures and magnetic properties of Fe(II) and Co(II) thiocyanato coordination compounds: on the importance of the diamagnetic counterparts for structure determination.

    PubMed

    Wöhlert, Susanne; Peters, Lars; Näther, Christian

    2013-08-14

    Reaction of Fe(NCS)2 and Co(NCS)2 with 2-methylpyrazine in different molar ratios and solvents at room temperature leads to the formation of five new coordination compounds of composition M(NCS)2(2-methylpyrazine)2(H2O)2 (M = Fe (1-Fe) , Co (1-Co)), Co(NCS)2(2-methylpyrazine)2(CH3OH)2 (2-Co) and Co(NCS)2(2-methylpyrazine)4·2-methylpyrazine solvate (3-Co). In all of these compounds, discrete complexes are found in which the metal cations are octahedrally coordinated by two terminal N-bonded thiocyanato anions and four N- or O-donor co-ligands. On heating compounds 1-3 in a thermobalance new coordination polymers of composition M(NCS)2(2-methylpyrazine)2 (M = Co (4-Co) , Fe (4-Fe)) are obtained in the first step, which transform into M(NCS)2(2-methylpyrazine) (M = Co (5-Co) , Fe (5-Fe)) in the second. Because of the low chalcophilicity of these cations, compounds 4 and 5 are not accessible from solution. Further investigations prove that 4-Co and 4-Fe obtained by thermal decomposition are of low crystallinity, might be isotypic and might consist of metal cations, in which the anionic ligands are only terminal N-bonded. In contrast, 5-Co and 5-Fe are of good crystallinity but their structure cannot be solved from X-ray powder data. However, a compound of the same composition (5-Cd) based on the more chalcophilic cadmium can easily be crystallized from solution and characterized by single crystal X-ray diffraction. This compound is isotypic to 5-Co and 5-Fe and therefore their structures were determined by Rietveld refinements. In their crystal structures the metal atoms are linked by μ-1,3-bridging thiocyanato anions into a 2D network. Magnetic measurements reveal that compounds 1-4 show only Curie-Weiss paramagnetism and that for 5-Fe antiferromagnetic ordering is observed. In contrast, 5-Co shows metamagnetic behavior with a very large critical field. Finally, it was shown that 4-Co and 4-Fe are hygroscopic and transform within minutes into the hydrates 1-Co and 1

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

    PubMed Central

    Brunetto, Priscilla S.; Slenters, Tünde Vig; Fromm, Katharina M.

    2011-01-01

    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.

  20. The role of the coordination defect (CD) in the structures of anion-deficient, fluorite-related compounds.

    PubMed

    Bevan, D J M; Martin, Lisandra L; Martin, Raymond L

    2013-02-01

    The various superstructure phases that occur with the anion-deficient compositions of binary oxides MO(2-x) with the fluorite structure as parent are explored here in terms of the original 'coordination defect' (or CD) concept in which each vacant oxygen site, □, is 'coordinated' by six O atoms thereby creating the octahedral 'structure-determining' entity [M(3.5)□O(6)]. It emerges that the structure and composition of each anion-deficient (polymorph) phase can be described in terms of crystallographic `motifs' which comprise sets of parallel coplanar polygons based on ½<210>(F) and ½<111>(F) CD linkages.

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

    PubMed

    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.

  2. Coordination of xylem hydraulics and stomatal regulation in keeping the integrity of xylem water transport in shoots of two compound-leaved tree species.

    PubMed

    Liu, Yan-Yan; Song, Jia; Wang, Miao; Li, Na; Niu, Cun-Yang; Hao, Guang-You

    2015-12-01

    Hydraulic segmentation between proximal and distal organs has been hypothesized to be an important protective mechanism for plants to minimize the detrimental effects of drought-induced hydraulic failure. Uncertainties still exist regarding the degree of segmentation and the role of stomatal regulation in keeping hydraulic integrity of organs at different hierarchies. In the present study, we measured hydraulic conductivity and vulnerability in stems, compound leaf petioles and leaflet laminas of Fraxinus mandshurica Rupr. and Juglans mandshurica Maxim. growing in Changbai Mountain of Northeast China to identify the main locality where hydraulic segmentation occurs along the shoot water transport pathway. Stomatal conductance in response to leaf water potential change was also measured to investigate the role of stomatal regulation in avoiding extensive transpiration-induced embolism. No major contrasts were found between stems and compound leaf petioles in either hydraulic conductivity or vulnerability to drought-induced embolism, whereas a large difference in hydraulic vulnerability exists between compound leaf petioles and leaflet laminas. Furthermore, in contrast to the relatively large safety margins in stems (4.13 and 2.04 MPa) and compound leaf petioles (1.33 and 1.93 MPa), leaflet lamina hydraulic systems have substantially smaller or even negative safety margins (-0.17 and 0.47 MPa) in F. mandshurica and J. mandshurica. Under unstressed water conditions, gas exchange may be better optimized by allowing leaflet vascular system function with small safety margins. In the meantime, hydraulic safety of compound leaf petioles and stems are guaranteed by their large safety margins. In facing severe drought stress, larger safety margins in stems than in compound leaf petioles would allow plants to minimize the risk of catastrophic embolism in stems by sacrificing the whole compound leaves. A strong coordination between hydraulic and stomatal regulation

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

    PubMed

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

    2016-08-07

    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).

  4. Compound

    NASA Astrophysics Data System (ADS)

    Suzumura, Akitoshi; Watanabe, Masaki; Nagasako, Naoyuki; Asahi, Ryoji

    2014-06-01

    Recently, Cu-based chalcogenides such as Cu3SbSe4, Cu2Se, and Cu2SnSe3 have attracted much attention because of their high thermoelectric performance and their common feature of very low thermal conductivity. However, for practical use, materials without toxic elements such as selenium are preferable. In this paper, we report Se-free Cu3SbS4 thermoelectric material and improvement of its figure of merit ( ZT) by chemical substitutions. Substitutions of 3 at.% Ag for Cu and 2 at.% Ge for Sb lead to significant reductions in the thermal conductivity by 37% and 22%, respectively. These substitutions do not sacrifice the power factor, thus resulting in enhancement of the ZT value. The sensitivity of the thermal conductivity to chemical substitutions in these compounds is discussed in terms of the calculated phonon dispersion and previously proposed models for Cu-based chalcogenides. To improve the power factor, we optimize the hole carrier concentration by substitution of Ge for Sb, achieving a power factor of 16 μW/cm K2 at 573 K, which is better than the best reported for Se-based Cu3SbSe4 compounds.

  5. Yttrium and lanthanide complexes of β-dialdehydes: synthesis, characterization and luminescence of coordination compounds with the conjugate base of nitromalonaldehyde.

    PubMed

    Bortoluzzi, Marco; Bianchin, Elena; Roppa, Stefania; Bertolasi, Valerio; Enrichi, Francesco

    2014-07-14

    Coordination compounds having formulae [AsPh4][Ln(NMA)4] (1(Ln)), Ln(NMA)3(tppo)2 (2(Ln)), Ln(NMA)3(bipyO2) (3(Ln)), Ln(NMA)3(phen) (4(Ln)) and Ln(NMA)3(terpy) (5(Ln)) (Ln = Y and some lanthanides; NMA = conjugate base of nitromalonaldehyde; tppo = triphenylphosphine oxide; bipyO2 = 2,2'-bipyridine-N,N'-dioxide; phen = 1,10-phenanthroline; terpy = 2,2':6',2''-terpyridine) were synthesized and characterized and X-ray diffraction data were collected for [AsPh4][Y(NMA)4] (1(Y)). The neutral europium derivatives showed appreciable luminescence in the solid state upon excitation with UV light and photoluminescence measurements were carried out. These compounds were used as dopants for the preparation of luminescent poly(methyl methacrylate). Luminescent polyvinylpyrrolidone samples were obtained by reacting the pure polymer with water solutions containing NMA and trivalent europium ions.

  6. Second-order nonlinear optical Langmuir-Blodgett films based on a series of azo rare-earth coordination compounds

    SciTech Connect

    Gao, L.H.; Wang, K.Z.; Huang, C.H.

    1995-06-01

    A series of novel azo dyes composed of a lanthanide complex anion and an azo cation, in which strongly electron-donating (dihexadecylamino)phenyl and electron-accepting pyridinium groups are separated by an azo group, was designed as second-order nonlinear optical Langmuir-Blodgett (LB) film materials. The compounds are of good film-forming properties. The values of second-order molecular hyperpolarizability {beta} were determined to be (1.20-3.03) x 10{sup {minus}27} esu, comparable to the largest value known for azo LB materials. The compounds studied may be attactive in the application in future optical devices. 13 refs., 5 figs., 1 tab.

  7. Two new organic-inorganic hybrid compounds based on metal-pyrazine coordination polymers and Keggin polyoxometalates: effect of metal ions on thestructure

    NASA Astrophysics Data System (ADS)

    Cui, Feng-Yun; Ma, Xiao-Yu; Li, Cong; Dong, Tao; Gao, Yuan-Zhe; Han, Zhan-Gang; Chi, Ying-Nan; Hu, Chang-Wen

    2010-12-01

    Through changing the metal ions, two Keggin polyoxometalates-based hybrid compounds, [Cu 5(pz) 6(Cl)(SiW 12O 40)] ( 1) and [Ag 4(pz) 3(H 2O) 2(SiW 12O 40)] ( 2) (pz=pyrazine), were hydrothermally synthesized and characterized by an elemental analysis, IR spectroscopy, thermogravimetric analyses, and single X-ray diffraction. In compound 1, the metal-organic motif exhibits a 6 3 topological 2-D sheet, which is further fused by the [SiW 12O 40] 4- anions to construct a (6·7·8)(6 3·7·8 2)(6 3)(6 5·7)(6 5·8) topological 3D structure. In compound 2, the bridging groups Ag 2(pz) connect the [SiW 12O 40] 4- anions to form a (5 3) 2(5 4·8 2) topological 2-D layer, which is further linked by an [Ag(pz)] nn+ chains to construct a 3D structure with the (3 4·4 16·5 24·6 12·7 8·8 2)(3 4·4 6·5 4·6) 2(4·5 2) 2 topology. It represents the highest connected network topology presently known for the polyoxometalates system. The structure differences of compounds 1 and 2 reveal that the coordination numbers and geometries of the metal ions have a great influence on the final structure and topology of the Keggin POMs-based hybrid compounds. In addition, the electrochemistry properties of the two compounds have been studied.

  8. The coordination chemistry and magnetism of some 3d–4f and 4f amino-polyalcohol compounds

    PubMed Central

    Sharples, Joseph W.; Collison, David

    2014-01-01

    Triethanolamine, teaH3, and diethanolamine, RdeaH2, 3d–4f and 4f compounds demonstrate an enormous variety in their structure and bonding. This review examines the synthetic strategies to these molecules and their magnetic properties, whilst trying to assess these ligands’ suitability towards new SMMs and magnetic refrigerants. PMID:25009361

  9. The coordination chemistry and magnetism of some 3d-4f and 4f amino-polyalcohol compounds.

    PubMed

    Sharples, Joseph W; Collison, David

    2014-02-01

    Triethanolamine, teaH3, and diethanolamine, RdeaH2, 3d-4f and 4f compounds demonstrate an enormous variety in their structure and bonding. This review examines the synthetic strategies to these molecules and their magnetic properties, whilst trying to assess these ligands' suitability towards new SMMs and magnetic refrigerants.

  10. Exploring metallodrug-protein interactions by mass spectrometry: comparisons between platinum coordination complexes and an organometallic ruthenium compound.

    PubMed

    Casini, Angela; Gabbiani, Chiara; Michelucci, Elena; Pieraccini, Giuseppe; Moneti, Gloriano; Dyson, Paul J; Messori, Luigi

    2009-06-01

    Electrospray ionisation mass spectrometry was used to analyse the reactions of metal compounds with mixtures of selected proteins. Three representative medicinally relevant compounds, cisplatin, transplatin and the organometallic ruthenium compound RAPTA-C, were reacted with a pool of three proteins, ubiquitin, cytochrome c and superoxide dismutase, and the reaction products were analysed using high-resolution mass spectrometry. Highly informative electrospray ionisation mass spectra were acquired following careful optimisation of the experimental conditions. The formation of metal-protein adducts was clearly observed for the three proteins. In addition, valuable information was obtained on the nature of the protein-bound metallofragments, on their distribution among the three different proteins and on the binding kinetics. The platinum compounds were less reactive and considerably less selective in protein binding than RAPTA-C, which showed a high affinity towards ubiquitin and cytochrome c, but not superoxide dismutase. In addition, competition studies between cisplatin and RAPTA-C showed that the two metallodrugs have affinities for the same amino acid residues on protein binding.

  11. X-ray absorption spectroscopy of an investigational anticancer gallium(III) drug: interaction with serum proteins, elemental distribution pattern, and coordination of the compound in tissue.

    PubMed

    Hummer, Alfred A; Bartel, Caroline; Arion, Vladimir B; Jakupec, Michael A; Meyer-Klaucke, Wolfram; Geraki, Tina; Quinn, Paul D; Mijovilovich, Ana; Keppler, Bernhard K; Rompel, Annette

    2012-06-14

    Tris(8-quinolinolato)gallium(III) (1, KP46) is a very promising investigational anticancer drug. Its interaction with serum proteins, elemental distribution, and coordination in tissue were investigated with X-ray absorption (XAS) methods. Model compounds with mixed O, N, and/or S donor atoms are reported. The coordination and structure of 1 in cell culture medium (minimum essential medium, MEM) and fetal calf serum (FCS) were probed by XANES and EXAFS. The interaction of 1 with the serum proteins apotransferrin (apoTf) and human serum albumin (HSA) was addressed as well. By application of micro-XAS to tissue samples from mice treated with 1, the gallium distribution pattern was analyzed and compared to those of physiological trace elements. The complex 1 turned out to be very stable under physiological conditions, in cell culture media and in tissue samples. The coordination environment of the metal center remains intact in the presence of apoTf and HSA. The gallium distribution pattern in tumor and liver tissue revealed high similarities to the distribution patterns of Zn and Fe, minor similarities to Cu and Ni, and no similarity to Ca.

  12. Syntheses, structures and magnetisms of copper(II)-azido coordination compounds with p-substituted benzoates as coligands

    NASA Astrophysics Data System (ADS)

    Sun, Cuiyu; Yu, Nan; Bu, Huaitian; Sun, Ce; Bu, Huaiyu

    2016-01-01

    Employing p-substituted benzoates with electron-withdrawing/electron-donating groups as coligands, four copper-azido compounds, [Cu1.5(p-NO2-benzoate)(N3)2(H2O)]n (1), [Cu(p-NO2-benzoate)(N3)(H2O)]n (2), [Cu(p-OH-benzoate)(N3)(H2O)]n·nH2O (3) and [Cu(p-CH3-benzoate)(N3)]n (4), have been hydrothermally synthesized and structurally charactierized by single crystal X-ray diffraction. Structural analysis reveals that all compounds are composed of mixed EO-azido and syn-syn carboxylato-bridged Cu-N3/COO chains. Compound 1 features the alternating triple-bridged (μ-EO-N3)(μ-COO)(μ-H2O) and the double-bridged (EO-N3)2 modes. Both of 2 and 3 display the triple-bridged fashion (μ-EO-N3)(μ-COO)(μ-H2O). While 4 exhibits the double-bridged mode (μ-EO-N3)(μ-COO). Based on hydrogen-bonding interactions, Cu-N3/COO chains in 1-3 are further connected to form 3D supramolecular frameworks. As for compound 4, there are not hydrogen-bonding interactions when the p-CH3 substituted benzoate is employed as coligand. These compounds show intrachain ferromagnetic performance and different bulk properties. Remarkably, 1 features metamagnetism from antiferromagnetism to ferrimagnetism, while 3 reveals long-range ferromagnetic ordering between Cu(II) ions. Magneto-structural correlation has been also investigated.

  13. Antiandrogen and Antimicrobial Aspects of Coordination Compounds of Palladium(II), Platinum(II) and Lead(II)

    PubMed Central

    Joshi, S. C.; Kulshrestha, Shalini; Nagpal, Pooja; Bansal, Anil

    2001-01-01

    Synthesis, characterization and antimicrobial activities of an interesting class of biologically potent macrocyclic complexes have been carried out. All the complexes have been evaluated for their antimicrobial effects on different species of pathogenic fungi and bacteria. The testicular sperm density, testicular sperm morphology, sperm motility, density of cauda epididymal spermatozoa and fertility in mating trails and biochemical parameters of reproductive organs have been examined and discussed. The resulting biologically active [M(MaLn)(R2)]Cl2 and [Pb(MaLn)(R2)X2] (where, M = PdII or PtII and X = Cl or NO3) type of complexes have been synthesized by the reactions of macrocyclic ligands (MaLn) with metal salts and different diamines in 1:1:1 molar ratio in methanol. Initially the complexes were characterized by elemental analyses, molecular weight determinations and conductivity measurements. The mode of bonding was established on the basis of IR, 1H NMR, 13C NMR, 195Pt NMR, 207Pb NMR, XRD and electronic spectral studies. The macrocyclic ligand coordinates through the four azomethine nitrogen atoms which are bridged by benzil moieties. IR spectra suggest that the pyridine nitrogen is not coordinating. The palladium and platinum complexes exhibit tetracoordinated square-planar geometry, whereas a hexacoordinated octahedral geometry is suggested for lead complexes. PMID:18475989

  14. Syntheses, structures and magnetisms of copper(II)–azido coordination compounds with p-substituted benzoates as coligands

    SciTech Connect

    Sun, Cuiyu; Yu, Nan; Bu, Huaitian; Sun, Ce; Bu, Huaiyu

    2016-01-15

    Employing p-substituted benzoates with electron-withdrawing/electron-donating groups as coligands, four copper–azido compounds, [Cu{sub 1.5}(p-NO{sub 2}-benzoate)(N{sub 3}){sub 2}(H{sub 2}O)]{sub n} (1), [Cu(p-NO{sub 2}-benzoate)(N{sub 3})(H{sub 2}O)]{sub n} (2), [Cu(p-OH-benzoate)(N{sub 3})(H{sub 2}O)]{sub n}·nH{sub 2}O (3) and [Cu(p-CH{sub 3}-benzoate)(N{sub 3})]{sub n} (4), have been hydrothermally synthesized and structurally charactierized by single crystal X-ray diffraction. Structural analysis reveals that all compounds are composed of mixed EO-azido and syn–syn carboxylato-bridged Cu-N{sub 3}/COO chains. Compound 1 features the alternating triple-bridged (μ-EO-N{sub 3})(μ-COO)(μ-H{sub 2}O) and the double-bridged (EO-N{sub 3}){sub 2} modes. Both of 2 and 3 display the triple-bridged fashion (μ-EO-N{sub 3})(μ-COO)(μ-H{sub 2}O). While 4 exhibits the double-bridged mode (μ-EO-N{sub 3})(μ-COO). Based on hydrogen-bonding interactions, Cu–N{sub 3}/COO chains in 1–3 are further connected to form 3D supramolecular frameworks. As for compound 4, there are not hydrogen-bonding interactions when the p-CH{sub 3} substituted benzoate is employed as coligand. These compounds show intrachain ferromagnetic performance and different bulk properties. Remarkably, 1 features metamagnetism from antiferromagnetism to ferrimagnetism, while 3 reveals long-range ferromagnetic ordering between Cu(II) ions. Magneto-structural correlation has been also investigated. - Graphical abstract: With p-substituted benzoates as coligands, copper–azido compounds were isolated and structrually, magnetically characterized. Magneto-structural correlation has been investigated in detail.

  15. Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear Co(II) Compounds.

    PubMed

    Bruno, Rosaria; Vallejo, Julia; Marino, Nadia; De Munno, Giovanni; Krzystek, J; Cano, Joan; Pardo, Emilio; Armentano, Donatella

    2017-02-20

    A family of tetrahedral mononuclear Co(II) complexes with the cytosine nucleobase ligand is used as the playground for an in-depth study of the effects that the nature of the ligand, as well as their noninnocent distortions on the Co(II) environment, may have on the slow magnetic relaxation effects. Hence, those compounds with greater distortion from the ideal tetrahedral geometry showed a larger-magnitude axial magnetic anisotropy (D) together with a high rhombicity factor (E/D), and thus, slow magnetic relaxation effects also appear. In turn, the more symmetric compound possesses a much smaller value of the D parameter and, consequently, lacks single-ion magnet behavior.

  16. A new hybrid constructed from Dawson-like polyoxometalates and dicopper coordination compounds containing a discrete tridecameric water cluster

    NASA Astrophysics Data System (ADS)

    Yang, Hongxun; Cao, Minna; Gao, Shuiying; Cao, Rong

    2014-01-01

    A new organic-inorganic hybrid polyoxotungstates, [Cu2Cl(H2O)3(phen)2]2[H3SbW18O60]·7H2O (phen = 1,10-phenanthroline, 1), has been synthesized and characterized by elemental analyses, FTIR, TG, UV-DRS, XRPD, magnetic property and X-ray single crystal diffraction. The structure analyses reveal that complex 1 based on Dawson-like polyoxoanions and dicopper coordination cations exhibits 3D supramolecular network via hydrogen bonding and π-π stacking containing a new discrete tridecameric water cluster. The magnetic property of 1 was also investigated between 2 and 300 K, indicating the existence of antiferromagnetic exchange interaction between the Cu(II) centres.

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

    NASA Astrophysics Data System (ADS)

    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.

  18. Ag coordination compounds of a bifunctional diaminotriazine-imidazole ligand with various anions and solvents: Synthesis, structures, photoluminescence, and thermal properties

    NASA Astrophysics Data System (ADS)

    Mei, Hong-Xin; Huang, Hua-Qi; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun

    2016-03-01

    Six coordination compounds of Ag(I) and 2,4-diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine (L, Ag:L = 1:2) with different anions and solvents, namely, [Ag(L)2]•(NO3)•4(H2O) (1), [Ag(L)2 ] · 1 / 2 (nds) ·(MeOH) ·(H2O) (2, H2nds = 1,5-naphthalenedisulfonic acid), [Ag(L)2 ] · 1 / 2 (nds) ·(MeOH) · 5 / 2 (H2O) (3), [Ag(L)2 ] · 1 / 2 (nds) ·(CH3CN) (4), [Ag(L)2]•(ClO4)•(MeOH)•(H2O) (5), and [Ag(L)2]•(ClO4)•2(H2O) (6), have been synthesized and characterized by elemental analysis, IR, PXRD and X-ray single-crystal diffraction. In these compounds, each Ag(I) ion is ligated by two imidazole nitrogens to form a Ag(L)2 unit. The anions and solvents determine hydrogen-bonding between the DAT groups links the Ag(L)2 units whether to form chains in 1 and 2 or layers in 3-6. In addition, thermogravimetric analysis (TGA) and luminescent properties of these compounds were also investigated.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. Two new organic-inorganic hybrid compounds based on metal-pyrazine coordination polymers and Keggin polyoxometalates: effect of metal ions on the structure

    SciTech Connect

    Cui Fengyun; Ma Xiaoyu; Li Cong; Dong Tao; Gao Yuanzhe; Han Zhangang; Chi Yingnan; Hu Changwen

    2010-12-15

    Through changing the metal ions, two Keggin polyoxometalates-based hybrid compounds, [Cu{sub 5}(pz){sub 6}(Cl)(SiW{sub 12}O{sub 40})] (1) and [Ag{sub 4}(pz){sub 3}(H{sub 2}O){sub 2}(SiW{sub 12}O{sub 40})] (2) (pz=pyrazine), were hydrothermally synthesized and characterized by an elemental analysis, IR spectroscopy, thermogravimetric analyses, and single X-ray diffraction. In compound 1, the metal-organic motif exhibits a 6{sup 3} topological 2-D sheet, which is further fused by the [SiW{sub 12}O{sub 40}]{sup 4-} anions to construct a (6.7.8)(6{sup 3}.7.8{sup 2})(6{sup 3})(6{sup 5}.7)(6{sup 5}.8) topological 3D structure. In compound 2, the bridging groups Ag{sub 2}(pz) connect the [SiW{sub 12}O{sub 40}]{sup 4-} anions to form a (5{sup 3}){sub 2}(5{sup 4}.8{sup 2}) topological 2-D layer, which is further linked by an [Ag(pz)]{sub n}{sup n+} chains to construct a 3D structure with the (3{sup 4}.4{sup 16}.5{sup 24}.6{sup 12}.7{sup 8}.8{sup 2})(3{sup 4}.4{sup 6}.5{sup 4}.6){sub 2}(4.5{sup 2}){sub 2} topology. It represents the highest connected network topology presently known for the polyoxometalates system. The structure differences of compounds 1 and 2 reveal that the coordination numbers and geometries of the metal ions have a great influence on the final structure and topology of the Keggin POMs-based hybrid compounds. In addition, the electrochemistry properties of the two compounds have been studied. -- Graphical Abstract: Two new highly connected Keggin POMs-based hybrids have been synthesized by changing metal ions under hydrothermal conditions and the effect of metal ions on the final structure and topology of the POMs-based hybrid compounds was discussed. Display Omitted

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

    PubMed

    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.

  2. Properties of Cd x Zn1 -x S:Cu2+ (0.5 ≤ x ≤ 1) Films Deposited by Pyrolysis of Thiourea Coordination Compounds

    NASA Astrophysics Data System (ADS)

    Nituta, A. N.; Artemova, E. S.; Semenov, V. N.; Klyuev, V. G.; Bezdetko, Yu. S.

    2017-01-01

    The results of a study of Cd x Zn1- x S (0.5 ≤ x ≤ 1) films obtained by pyrolysis of an aerosol from solutions of the coordination compounds [Cd(N2H4CS)2Br2] and [Zn(N2H4CS)2Br2], both pure and doped with copper ions at concentrations of 10-6-10-4 at.%, are presented. The crystal structure of the films was studied. The optical forbidden band gap of the pure and doped films varies from 2.5 eV to 3.1 eV. The introduction of copper impurities increases the photoluminescence intensity by almost one order of magnitude.

  3. Sonochemical synthesis and characterization of a new nano Ce(III) coordination supramolecular compound; highly sensitive direct fluorescent sensor for Cu(2).

    PubMed

    Geranmayeh, Shokoofeh; Mohammadnejad, Masoumeh; Mohammadi, Samaneh

    2018-01-01

    Micro and nano-structures of a new Ce(III) Coordination supramolecular compound, [Ce (1,5-NDS)1.5(H2O)5]n,1, (1,5-Naphthalenedisulfonic acid), were prepared using hydrothermal and sonochemical approaches, respectively. These new micro and nano structures were characterized by elemental analysis, IR spectra, thermal gravimetric analysis (TGA), scanning electron microscopy (SEM), and powder X-ray diffraction. The X-ray single crystal structure determination of 1 shows that it features a neutral 2D framework based on the [Ce2H20O16S2] clusters as a secondary building unit (SBU) which shows a sql/Shubnikov tetragonal plane net. Moreover by considering the H-bonds, the final structure can be considered as 3D supramolecular network. The influence of ultrasound irradiation time on the morphology and size of the nanostructure 1 was investigated. The results indicated that by increasing the time of ultrasonic radiation, smaller nanostructures form and morphological changes occur. Fluorescent properties of the nanoparticles of 1 were also investigated. Coordination polymer 1 shows high fluorescence intensity and good tendency to copper ion that can be used as an optical sensor for selective and sensitive determination of Cu(2+) in aqueous media with detection limit of 3.0μM. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Cationic coordination compound Cs2Hg3I8 for IR NLO material: Synthesis, crystal growth and characterizations

    NASA Astrophysics Data System (ADS)

    Sathiskumar, S.; Kathiravan, P.; Balakrishnan, T.

    2015-06-01

    Single crystals Cs2Hg3I8 of dimensions 5 × 3 × 4 mm3 were grown by solution growth method at room temperature and structurally characterized by single crystal X - ray diffraction. Cs2Hg3I8 compound crystallizes in a noncentrosymmetric space group Cm with the crystal data of a = 7.4415 Å, b = 21.6629 Å, c = 7.6726 Å, α, β = 90°, γ = 108.05° and Z = 2. The grown crystals were characterized by powder X - ray diffraction analysis and the various diffraction planes are indexed. The presence of functional groups was identified qualitatively by Fourier transform infrared and FT - Raman spectral analyses. Ultraviolet - visible spectral analyses shows that the crystal has low UV cut off at 388 nm combined with very good transparency of 98 % in a wide range. The optical band gap was estimated to be 3 eV. Mechanical hardness of the grown crystal Cs2Hg3I8 was determined. The dielectric response of the crystal with varying frequencies was studied. Differential scanning calorimetry (DSC) analysis shows that the grown crystal has very good thermal stability up to 97.5°C.

  5. Bipolar Mass Spectrometry of Labile Coordination Complexes, Redox Active Inorganic Compounds, and Proteins Using a Glass Nebulizer for Sonic-Spray Ionization

    NASA Astrophysics Data System (ADS)

    Antonakis, Manolis M.; Tsirigotaki, Alexandra; Kanaki, Katerina; Milios, Constantinos J.; Pergantis, Spiros A.

    2013-08-01

    In this study, we report on the development of a novel nebulizer configuration for sonic-spray ionization (SSI) mass spectrometry (MS), more specifically for a version of SSI that is referred to as Venturi easy ambient sonic-spray ionization (V-EASI) MS. The developed nebulizer configuration is based on a commercially available pneumatic glass nebulizer that has been used extensively for aerosol formation in atomic spectrometry. In the present study, the nebulizer was modified in order to achieve efficient V-EASI-MS operation. Upon evaluating this system, it has been demonstrated that V-EASI-MS offers some distinct advantages for the analysis of coordination compounds and redox active inorganic compounds over the predominantly used electrospray ionization (ESI) technique. Such advantages, for this type of compounds, are demonstrated here for the first time. More specifically, a series of labile heptanuclear heterometallic [CuII 6LnIII] clusters held together with artificial amino acid ligands, in addition to easily oxidized inorganic oxyanions of selenium and arsenic, were analyzed. The observed advantages pertain to V-EASI appearing to be a "milder" ionization source than ESI, not requiring electrical potentials for gas phase ion formation, thus eliminating the possibility of unwanted redox transformations, allowing for the "simultaneous" detection of negative and positive ions (bipolar analysis) without the need to change source ionization conditions, and also not requiring the use of syringes and delivery pumps. Because of such features, especially because of the absence of ionization potentials, EASI can be operated with minimal requirements for source parameter optimization. We observed that source temperature and accelerating voltage do not seem to affect labile compounds to the extent they do in ESI-MS. In addition, bipolar analysis of proteins was demonstrated here by acquiring both positive and negative ion mass spectra from the same protein solutions

  6. Synthesis, X-ray structural and thermal analysis of a novel copper compound containing dissymmetric independent 5- and 6-coordinate CuL(H2O)n (n = 2, 3) units and hydrogen bond bridges.

    PubMed

    Barut, Duygu; Korkmaz, Neslihan; Astley, Stephen T; Aygün, Muhittin

    2015-01-01

    The synthesis, thermogravimetric and X-ray structure analysis of a highly unusual copper compound prepared from a chiral tridentate Schiff base ligand is reported. The title compound [CuL(H(2)O(2)]. CuL(H(2)O(3)].H(2)O crystallizes in the orthorhombic crystal system in space group P2(1)2(1)2(1) with Z = 4. Two independent CuL(H(2)O)(n) complexes are present in the same unit cell, one five- and the other six- coordinate. The five-coordinate copper(II) centre occupies a distorted square-pyramidal geometry whereas the six-coordinate copper(II) centre has a distorted octahedral geometry. The independent copper complexes and the uncoordinated water molecule are joined together with intermolecular hydrogen bonds in a two-dimensional supramolecular network which lies parallel to the ab plane.

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

    PubMed

    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.

  8. Fine-Tuning of the Coordination Environment To Regulate the Magnetic Behavior in Solvent/Anion-Dependent Dy(III) Compounds: Synthesis, Structure, Magnetism, and Ab Initio Calculations.

    PubMed

    Sun, Lin; Zhang, Sheng; Qiao, Chengfang; Chen, Sanping; Yin, Bing; Wang, Wenyuan; Wei, Qing; Xie, Gang; Gao, Shengli

    2016-10-17

    It is crucial to understand and elucidate the self-assembly mechanism in solution systems for the construction of Dy(III)-based single-molecule magnets (SMMs). Herein, through fine-tuning of the anion and solvent, we prepared three nine-coordinate mononuclear dysprosium compounds, [Dy(2,3'-pcad)(NO3)2(CH3OH)2] (1), [Dy(2,3'-Hpcad)2(H2O)3]·3Cl·5H2O (2), and [Dy(2,3'-pcad)(NO3)(H2O)4]·NO3·H2O (3) [2,3'-Hpcad = N(3)-(2-pyridoyl)-3-pyridinecarboxamidrazone]. The reactions of formation for 1-3 are in situ thermodynamically monitored by isothermal titration calorimetry. Magnetic data analysis reveals that 2 shows SMM behavior under a zero direct-current (dc) field, whereas 1 and 3 exhibit distinct slow magnetic relaxation processes upon a 1200 Oe dc field. To deeply understand the different magnetic behaviors, the magnetic anisotropy of 1-3 has been systematically studied by ab initio calculations, which is consistent with the experimental observations. Moreover, the semiconductor behaviors of 1-3 have been investigated by experimental measurements of UV-vis spectroscopy.

  9. From racemic compound to spontaneous resolution: A series of homochiral lanthanide coordination polymers constructed from presynthesized [Sb2(tart)2]2- metalloligands

    NASA Astrophysics Data System (ADS)

    He, Jianghong; Zhang, Guangju; Xiao, Dongrong; Chen, Haiyan; Yan, Shiwei; Wang, Xin; Yang, Juan; Yuan, Ruo; Wang, Enbo

    2012-06-01

    A series of homochiral 1D lanthanide coordination polymers, namely {Ln(H2O)5(NO3)[Sb2(D-tart)2]}·H2O (Ln = Ce (1), Eu (5)) and {Ln(H2O)5(NO3)[Sb2(L-tart)2]}·H2O (Ln = Pr (2), Nd (3), Sm (4), Dy (6)) (tart = tartaric acid) were obtained by spontaneous resolution from presynthesized racemic [Sb2(tart)2]2- metalloligands (MLs). Their structures were determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, X-ray powder diffraction, and TG analyses. Compounds 1-6 are isostructural and feature novel 1D homochiral chains. There are three types of hydrogen-bonded helices in the 3D supramolecular network of 1-6. This case is still rare in metal-organic complexes. In addition, the luminescent properties of 4-6 were studied in the solid state at room temperature.

  10. 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.

    PubMed

    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. Copyright © 2014 Elsevier Inc. All rights reserved.

  11. 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

    PubMed Central

    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

  12. Synthesis, structural investigation and thermal analyses of a novel coordination compound [Cd(DAT) 6](HTNR) 2·3.5H 2O (DAT = 1,5-diaminotetrazole, H 2TNR = styphnic acid)

    NASA Astrophysics Data System (ADS)

    Cui, Yan; Zhang, Tong-Lai; Zhang, Jian-Guo; Yang, Li; Hu, Xiao-Chun; Zhang, Jin

    2008-10-01

    A novel coordination compound [Cd(DAT) 6](HTNR) 2·3.5H 2O has been synthesized by using 1,5-diaminotetrazole (DAT) as ligand and characterized by applying X-ray single crystal diffraction, elemental analysis and FT-IR spectroscopy. The central cadmium (II) cation is coordinated by six N atoms of six DAT ligand molecules to form a six-coordinated and slightly distorted octahedral structure. With the extensive intermolecular hydrogen bonds, molecular units of [Cd(DAT) 6](HTNR) 2·3.5H 2O are linked together to form a 3D net structure with pore canals. Mulliken charge distribution of DAT in bulk state has been obtained from the density functional theory (DFT) with the B3LYP method employing the 6-31G ∗∗ basis sets to interpret the reason why the coordination site of DAT is N(4) atom of the tetrazole ring. Thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG and FT-IR analyses results. The kinetic parameters of the first exothermic process of the title compound were studied by applying the Kissinger's and Ozawa-Doyle's methods.

  13. Two-dimensional 3d-4f heterometallic coordination polymers: syntheses, crystal structures, and magnetic properties of six new Co(II)-Ln(III) compounds.

    PubMed

    Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina

    2014-06-16

    Six new heterometallic cobalt(II)-lanthanide(III) complexes of formulas [Ln(bta)(H2O)2]2[Co(H2O)6]·10H2O [Ln = Nd(III) (1) and Eu(III) (2)] and [Ln2Co(bta)2(H2O)8]n·6nH2O [Ln = Eu(III) (3), Sm(III) (4), Gd(III) (5), and Tb(III) (6)] (H4bta = 1,2,4,5-benzenetretracaboxylic acid) have been synthesized and characterized via single-crystal X-ray diffraction. 1 and 2 are isostructural compounds with a structure composed of anionic layers of [Ln(bta)(H2O)2]n(n-) sandwiching mononuclear [Co(H2O)6](2+) cations plus crystallization water molecules, which are interlinked by electrostatic forces and hydrogen bonds, leading to a supramolecular three-dimensional network. 3-6 are also isostructural compounds, and their structure consists of neutral layers of formula [Ln2Co(bta)2(H2O)8]n and crystallization water molecules, which are connected through hydrogen bonds to afford a supramolecular three-dimensional network. Heterometallic chains formed by the regular alternation of two nine-coordinate lanthanide(III) polyhedra [Ln(III)O9] and one compressed cobalt(II) octahedron [Co(II)O6] along the crystallographic c-axis are cross-linked by bta ligands within each layer of 3-6. Magnetic susceptibility measurements on polycrystalline samples for 3-6 have been carried out in the temperature range of 2.0-300 K. The magnetic behavior of these types of Ln(III)-Co(II) complexes, which have been modeled by using matrix dagonalization techniques, reveals the lack of magnetic coupling for 3 and 4, and the occurrence of weak antiferromagnetic interactions within the Gd(III)-Gd(III) (5) and Tb(III)-Tb(III) (6) dinuclear units through the exchange pathway provided by the double oxo(carboxylate) and double syn-syn carboxylate bridges.

  14. Photoinduced charge, ion & energy transfer processes at transition-metal coordination compounds anchored to mesoporous, nanocrystalline metal-oxide thin films

    NASA Astrophysics Data System (ADS)

    Ardo, Shane

    Photovoltaics provide a direct means of converting photons into useful, electric power; however traditional silicon-based technologies are too expensive for global commercialization. Dye-sensitized mesoporous semiconducting thin films, when utilized in regenerative photoelectrochemical cells, are one category of next generation photovoltaics that could eventually circumvent this issue. In fact, their architecture also affords a clear platform for implementation of a direct, solar fuel-forming system. The mechanisms involved in the myriad of molecular processes that occur in these molecular--solid-state hybrid materials are poorly understood. Thus, the overriding goal of this dissertation was to evaluate sensitized mesoporous, nanocrystalline metal-oxide thin films critically so as to elucidate mechanistic phenomena. Using transient and steady-state absorption and emission spectroscopies as well as (photo)electrochemistry, various previously unobserved processes have been identified. Chapter 2 demonstrates for the first time that the electric fields emanating from these charged thin films affect surface-anchored molecular sensitizers via a Stark effect. In most cases, further, but incomplete, ionic screening of the charged nanoparticles from the sensitizers, as non-Faradaic electrolyte redistribution, was spectroscopically inferred after rapid semiconductor charging. Chapter 3 highlights the reactivity of Co(I) coordination-compound catalysts anchored to anatase TiO2 thin-film electrodes. Visible-light excitation resulted in prompt excited-state electron injection into TiO2 while introduction of benzylbromide into the fluid solution surrounding the thin film led to a 2e--transfer, oxidative-addition reaction to Co1 forming a stable Co--benzyl product. Subsequent visible-light excitation initiated a photocatalytic cycle for C--C bond formation. Unique to the nanocrystalline thin films employed here, Chapter 4 demonstrates that traditional time-resolved polarization

  15. Synthesis and in vitro characterization of platinum(II) anticancer coordinates using FTIR spectroscopy and NCI COMPARE: A fast method for new compound discovery.

    PubMed

    Berger, Gilles; Leclercqz, Hélène; Derenne, Allison; Gelbcke, Michel; Goormaghtigh, Erik; Nève, Jean; Mathieu, Véronique; Dufrasne, François

    2014-07-01

    Platinum-based drugs have been used for several decades to treat various cancers successfully. Cisplatin is the original compound in this class; it cross-links DNA, resulting in cell cycle arrest and cell death via apoptosis. Cisplatin is effective against several tumor types but exhibits toxic side effects; in addition, tumors often develop resistance. An original in vitro approach is proposed to determine whether platinum-based research compounds are good candidates for further study by comparing them to marketed drugs using FTIR spectroscopy and the COMPARE analysis from the NCI. Both methods can produce fingerprints and highlight differences between the compounds, classifying the candidates and revealing promising derivatives.

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

    NASA Astrophysics Data System (ADS)

    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.

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

    PubMed

    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.

  18. Multifaceted coordination of naphthyridine-functionalized N-heterocyclic carbene: a novel "Ir(III)(C--N)(C--C)" compound and its evaluation as transfer hydrogenation catalyst.

    PubMed

    Sinha, Arup; Rahaman, S M Wahidur; Sarkar, Mithun; Saha, Biswajit; Daw, Prosenjit; Bera, Jitendra K

    2009-12-07

    The 1,8-naphthyridine-functionalized N-heterocyclic carbene 1-benzyl-3-(5,7-dimethyl-1,8-naphthyrid-2-yl)imidazol-2-ylidene (BIN) has been successfully coordinated to Pd(II), W(0), Rh(I), and Ir(III), exhibiting its diverse binding modes. Reaction of BIN x HBr with Ag(2)O, followed by transmetalation with PdCl(2)(COD)(2) provides a cis complex PdCl(2)(kappaC(2)-BIN)(2) (1). Treatment of BIN x HBr with W(CO)(4)(piperidine)(2) in acetonitrile affords a chelate complex W(CO)(4)(kappa(2)C(2),N(1)'-BIN) (2). Reaction of {RhCl(COD)}(2) with KO(t)Bu and subsequent treatment with BIN x HBr in 1:2 and 1:1 ratio results in the mono and dinuclear complexes [Rh(COD)Br(kappaC(2)-BIN)] (3) and [{Rh(COD)Br}(2)(kappaN(8)':kappaC(2)-BIN)] (4), respectively. In complex 3, the "Rh(COD)Br" unit is coordinated to the carbene center, whereas an additional "Rh(COD)Br" unit is attached to naphthyridine nitrogen in complex 4 in an anti arrangement. Under identical reaction condition, a novel Ir(III) complex [Ir(kappa(2)C(2),N(1)'-BIN)(kappa(2)C(3)',C(2)-BIN)(H(2)O)Br]Br (5) has been synthesized. Complex 5 is proved to be catalytically active in hydrogen transfer reaction from (i)PrOH. All complexes have been characterized by spectroscopic methods and X-ray crystallography.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. 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.

    PubMed

    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.

  1. Poisson Coordinates.

    PubMed

    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.

  2. Investigation on the self-association of an inorganic coordination compound with biological activity (Casiopeína III-ia) in aqueous solution.

    PubMed

    Marín-Medina, Alejandro; García-Ramos, Juan Carlos; Ruíz-Azuara, Lena; Carrillo-Nava, Ernesto

    2016-01-01

    From studies using different experimental techniques employed to determine the presence of aggregates e.g. isothermal titration calorimetry, surface tension, electrical conductivity, UV-Vis spectrophotometry, dynamic and static light scattering, it is clearly demonstrated that the compound [Cu(4, 4'-dimethyl-2, 2'-bipyridine)(acetylacetonato)H2O]NO3 (Casiopeína III-ia), promising member of a family of new generation compounds for cancer treatment, is able to auto associate in aqueous media. Physicochemical properties associated with the formation of the aggregates were determined in pure water and in phosphate buffer media in order to simulate physiological conditions. From isothermal titration calorimetry and electrical conductivity measurements we calculated the dissociation constant of the aggregates, KD . For pure water the values obtained in both techniques are 2.73 × 10(-4) and 5.93 × 10(-4) M respectively while for the buffer media we obtained 4.61 × 10(-4) and 1.57 × 10(-3) M. The enthalpy of dissociation, ∆HD , calculated from the calorimetric data shows that the presence of the phosphate ions has an energetic effect on the aggregate stability since in pure water a value of 18.79 kJ mol(-1) was obtained in comparison with the buffer media where a value 4 times bigger was found (70.48 kJ mol(-1)). With the data collected from these techniques the number of monomers calculated which participate in the formation of the aggregates is around two. From our surface tension, electrical conductivity and UV-Vis spectrophotometry measurements the critical aggregate concentration, cac, was determined. For each technique specific concentration ranges were obtained but we can summarize that the cac in pure water is between 3 and 3.5 mM and for the buffer media is between 3.5 and 4 mM. Dynamic light scattering measurements provide us with the hydrodynamic diameter of the aggregates and from static light scattering measurements we determined the

  3. Development of a quinazoline-based chelating ligand for zinc ion and its application to validation of a zinc-ion-coordinated compound.

    PubMed

    Yamada, Hiroshi; Shirai, Akina; Kato, Keisuke; Kimura, Junko; Ichiba, Hideaki; Yajima, Takehiko; Fukushima, Takeshi

    2010-06-01

    A novel fluorescent chelating ligand, 2,4-[bis-(2-hydroxy-3-methoxybenzylidene)]-dihydrazinoquinazoline (HBQZ), was synthesized, and the fluorescence characteristics of its complex with metal ions were investigated. Among the 36 different metal ions tested in this study, it was found that HBQZ emits intense fluorescence at 506 nm with an excitation wavelength of 414 nm in the presence of Zn2+. The fluorescence intensity was almost constant in the pH range 3.5-10.5. Complexes of other metal ions with HBQZ did not show fluorescence, and the detection limit of Zn2+ was approximately 250 nM (16 ppb). The proposed method was applied to the validation test of a bioactive compound containing Zn2+ in its structure--an antibacterial and antifungal reagent, zinc pyrithione (ZnPT). In order to effectively release Zn2+ from ZnPT, a pretreatment procedure involving heating with H3PO4 at 100 degrees C for 60 min was adopted. Under these conditions, a linear calibration curve was obtained in the ZnPT concentration range of 0.79-15.7 microM (0.25-5.0 ppm); the correlation coefficient and the relative standard deviation were 0.996 and within 3.1% (n=5), respectively.

  4. 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.

    PubMed

    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.

  5. Cationic coordination compound Cs{sub 2}Hg{sub 3}I{sub 8} for IR NLO material: Synthesis, crystal growth and characterizations

    SciTech Connect

    Sathiskumar, S.; Kathiravan, P.; Balakrishnan, T.

    2015-06-24

    Single crystals Cs{sub 2}Hg{sub 3}I{sub 8} of dimensions 5 × 3 × 4   mm{sup 3} were grown by solution growth method at room temperature and structurally characterized by single crystal X – ray diffraction. Cs{sub 2}Hg{sub 3}I{sub 8} compound crystallizes in a noncentrosymmetric space group Cm with the crystal data of a = 7.4415 Å, b = 21.6629 Å, c = 7.6726 Å, α, β = 90°, γ = 108.05° and Z = 2. The grown crystals were characterized by powder X – ray diffraction analysis and the various diffraction planes are indexed. The presence of functional groups was identified qualitatively by Fourier transform infrared and FT – Raman spectral analyses. Ultraviolet – visible spectral analyses shows that the crystal has low UV cut off at 388 nm combined with very good transparency of 98 % in a wide range. The optical band gap was estimated to be 3 eV. Mechanical hardness of the grown crystal Cs{sub 2}Hg{sub 3}I{sub 8} was determined. The dielectric response of the crystal with varying frequencies was studied. Differential scanning calorimetry (DSC) analysis shows that the grown crystal has very good thermal stability up to 97.5°C.

  6. Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic characterization of the non-centrosymmetric coordination compound bis(4-fluoroaniline)dichloridozincate

    NASA Astrophysics Data System (ADS)

    Ben Nasr, M.; Soudani, S.; Lefebvre, F.; Jelsch, C.; Ben Nasr, C.

    2017-06-01

    The Zn(II) complex with the monodentate ligand 4-fluoroaniline, ZnCl2(C6H4FNH2)2, has been prepared and characterized by single crystal X-ray diffraction, solid state nuclear magnetic resonance, infrared spectroscopy and differential scanning calorimetry. The Zn(II) ion is tetracoordinated by two nitrogen atoms of two monodentate 4-fluoroaniline ligands and two chlorine atoms. In the molecular arrangement, the ZnCl2(C6H4FNH2)2 entities are interconnected via Nsbnd H⋯Cl hydrogen bonds to form layers parallel to the (a, b) plane. The nature and proportion of contacts in the crystal packing were investigated through the Hirshfeld surfaces. The crystal is mainly maintained by electrostatic attractions Cl- … Hsbnd N and by extensive hydrophobic contacts as revealed by the Hirshfeld 2D fingerprint plots and statistical analysis. The13C and 19F CP-MAS NMR spectra are in agreement with the X-ray structure and confirm the phase purity of the crystalline sample. The vibrational absorption bands were identified by infrared spectroscopy. A calorimetric study shows that the title compound is stable until 262.5 °C.

  7. Synthesis of a highly reactive form of WO2Cl2, its conversion into nanocrystalline mono-hydrated WO3 and coordination compounds with tetramethylurea.

    PubMed

    Bortoluzzi, Marco; Evangelisti, Claudio; Marchetti, Fabio; Pampaloni, Guido; Piccinelli, Fabio; Zacchini, Stefano

    2016-10-21

    A new form of WO2Cl2 was obtained by modification of a literature procedure. Both the newly prepared WO2Cl2 and the commercial yellow WO2Cl2 exhibited an orthorhombic structure (powder X-ray diffraction, P-XRD), and their air exposure at room temperature afforded light green and lemon yellow WO3·H2O (orthorhombic phase), respectively. These materials were characterized by P-XRD, high-resolution transmission electron microscopy (HR-TEM) and scanning transmission electron microscopy (S-TEM). The analyses revealed the nanocrystalline nature of light green WO3·H2O, and the prevalent amorphism of lemon yellow WO3·H2O. The reactions of grey WO2Cl2 with one and two equivalents of tetramethylurea (tmu), in CH2Cl2 at room temperature, led to the isolation of the trinuclear complex [WO2Cl2(tmu)]3, 1 (45% yield), and the mononuclear one WO2Cl2(tmu)2, 2 (64%), respectively. Compounds 1 and 2 were fully characterized by analytical and spectroscopic methods, single crystal X-ray diffraction (SC-XRD) and DFT calculations.

  8. Unusual reactions of [{micro-(phthalazine-N2:N3)}Fe2(micro-CO)(CO)6] with organolithium reagents. A novel coordination mode of 1,2-diazane diiron carbonyl compounds.

    PubMed

    Xiao, Nu; Xu, Qiang; Sun, Jie; Chen, Jiabi

    2006-01-28

    [{Micro-(phthalazine-N2:N3)}Fe2(micro-CO)(CO)6](1) reacts with organolithium reagents, RLi (R = CH3, C6H5, p-CH3C6H4, p-CH3OC6H4, p-CF3C6H4, p-C6H5C6H4), followed by treatment with Me3SiCl to give the novel diiron carbonyl complexes with a saturated N-N six-membered diazane ring ligand, [{C6H4CH(R)NNCH2}Fe2(C=O)(CO)6](2, R = CH3; 3, R = C6H5; 4, R =p-CH3C6H4; 5, R =p-CH3OC6H4; 6, R =p-CF3C6H4; 7, R =p-C6H5C6H4). Compounds 4 and 5 were treated with [(NH4)2Ce(NO3)6] to afford the aryl-substituted phthalazine-coordinated diiron carbonyl compounds [(micro-{1-(p-CH3C6H4)-phthalazine-N2:N3})Fe2(micro-CO)(CO)6](8) and [(micro-{1-(p-CH3OC6H4)-phthalazine-N2:N3})Fe2(micro-CO)(CO)6](9), respectively. The structures of complexes 4 and 9 have been established by X-ray diffraction studies.

  9. 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.

    PubMed

    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.

  10. 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.

    PubMed

    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.

  11. Synthesis and structural characterization of La xSr 1-xMnO 2.6+δ (0.1< x<0.4) compounds displaying compressed octahedral coordination of Mn (4-5 x)+

    NASA Astrophysics Data System (ADS)

    Suescun, Leopoldo; Dabrowski, Bogdan; Remsen, Steven; Mais, James

    2009-01-01

    La xSr 1-xMnO 2.6+δ ( x=0.1-0.4) compounds have been obtained by low-temperature annealing of stoichiometric materials in hydrogen. La 0.1Sr 0.9MnO 2.6+δ ( δ=0.15) and La 0.3Sr 0.7MnO 2.6, tetragonal ( P4/ m), and La 0.2Sr 0.8MnO 2.6, pseudo-tetragonal monoclinic ( P2/ m), structures are isostructural with oxygen-vacancy-ordered Sr 5Mn 5O 13 ( a=b≈√{5}a, c≈ aP). La 0.4Sr 0.6MnO 2.6 shows cubic perovskite structure with disordered oxygen vacancies. In the vacancy-ordered (La xSr 1-x) 5Mn 5O 13 phases four out of five Mn cations are Mn 3+ and show a typical Jahn-Teller elongated pyramidal coordination while the fifth one Mn (4-5 x)+ , in octahedral environment, shows decreasing formal charge from Mn 4+ ( x=0) to Mn 2.5+x=0.3. This unusual selective doping of the octahedral site produces structural strain due to increasing size of the Mn (4-5 x)+ and, in the case of (La 0.2Sr 0.8) 5Mn 5O 13, the unusual compressed octahedral arrangement of oxygen atoms around it. The coordination geometry implies that either the d orbital is occupied, which would be a rare example of inverted occupancy of e g orbitals in manganites, or that disordered Mn 3+ apically elongated MnO 6 octahedra are present with normal electronic configuration dt3dx2-y20dz21, and the observed bond distances are the average of the long and intermediate in-plane Mn-O bonds. Several structural features favor the second case.

  12. COORDINATED AV.

    ERIC Educational Resources Information Center

    CLEAVES, PAUL C.; AND OTHERS

    THE INSTRUCTIONAL MATERIALS CENTER IS LOCATED IN THE LOCAL HIGH SCHOOL AND SUPPLIES ALL SCHOOLS IN THE AREA. AUDIOVISUAL EQUIPMENT ORDERS, AFTER SELECTIONS ARE MADE BY THE CLASSROOM TEACHER, ARE PROCESSED BY THE CENTER, CONFIRMED AND DELIVERED BY TRUCK THREE TIMES EACH WEEK. EACH SCHOOL HAS A BUILDING COORDINATOR WHO CHECKS THE ORDERS INTO THE…

  13. COORDINATED AV.

    ERIC Educational Resources Information Center

    CLEAVES, PAUL C.; AND OTHERS

    THE INSTRUCTIONAL MATERIALS CENTER IS LOCATED IN THE LOCAL HIGH SCHOOL AND SUPPLIES ALL SCHOOLS IN THE AREA. AUDIOVISUAL EQUIPMENT ORDERS, AFTER SELECTIONS ARE MADE BY THE CLASSROOM TEACHER, ARE PROCESSED BY THE CENTER, CONFIRMED AND DELIVERED BY TRUCK THREE TIMES EACH WEEK. EACH SCHOOL HAS A BUILDING COORDINATOR WHO CHECKS THE ORDERS INTO THE…

  14. Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis-(2-hy-droxy-eth-yl)glycine anion.

    PubMed

    Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling

    2016-10-01

    The reaction of CoCl2·6H2O, N,N-bis-(2-hy-droxy-eth-yl)glycine and tri-ethyl-amine (Et3N) in ethanol solution under solvothermal conditions produced crystals of [N,N-bis-(2-hy-droxy-eth-yl)glycinato]chloridocobalt(II), [Co(C6H12NO4)Cl]. The Co(II) ion is coordinated in a slightly distorted trigonal-bipyramidal environment which is defined by three O atoms occupying the equatorial plane and the N and Cl atoms in the apical sites. In the crystal, two types of O-H⋯O hydrogen bonds connect the mol-ecules, forming a two-dimensional network parallel to (001). The mol-ecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI-MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the molecular structure has been calculated and optimized.

  15. Photoactive devices including porphyrinoids with coordinating additives

    DOEpatents

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

    2015-05-12

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

  16. Satellite Coordination

    NASA Astrophysics Data System (ADS)

    Cohen, R. J.

    2004-06-01

    The Radio Regulations set out complex procedures to ensure that when new systems start to use the frequency bands allocated to them there is minimal disruption to existing systems using the same bands. The process of satellite coordination is described, and the issues for radio astronomy are discussed. In order to be protected by the ITU-R machinery radio telescopes need to be officially registered. The issue of paper satellites highlights the need for early registration to gain priority over incoming systems. Modern developments including the use of complex Monte-Carlo simulations to predict interference levels, and the issue of adjacent band interference, are discussed.

  17. Dinitroso and polynitroso compounds

    PubMed Central

    Gowenlock, Brian G.; Richter-Addo, George B.

    2005-01-01

    The growing interest in the chemistry of C-nitroso compounds (RN=O; R = alkyl or aryl group) is due in part to the recognition of their participation in various metabolic processes of nitrogen-containing compounds. C-Nitroso compounds have a rich organic chemistry in their own right, displaying interesting intra- and intermolecular dimerization processes and addition reactions with unsaturated compounds. In addition, they have a fascinating coordination chemistry. While most of the attention has been directed towards C-nitroso compounds containing a single –NO moiety, there is an emerging area of research dealing with dinitroso and polynitroso compounds. In this critical review, we present and discuss the synthetic routes and properties of these relatively unexplored dinitroso and polynitroso compounds, and suggest areas of further development involving these compounds. (126 references.) PMID:16100619

  18. Ellipsoidal analysis of coordination polyhedra

    NASA Astrophysics Data System (ADS)

    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.

  19. Ellipsoidal analysis of coordination polyhedra.

    PubMed

    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 'd(5) effect' for Fe(3+) 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.

  20. Ellipsoidal analysis of coordination polyhedra

    PubMed Central

    Cumby, James; Attfield, J. Paul

    2017-01-01

    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. PMID:28146146

  1. Syntheses and magnetostructural investigations on Kuratowski-type homo- and heteropentanuclear coordination compounds [MZn4Cl4(L)6] (M(II) = Zn, Fe, Co, Ni, or Cu; L = 5,6-dimethyl-1,2,3-benzotriazolate) represented by the nonplanar K(3,3) graph.

    PubMed

    Biswas, Shyam; Tonigold, Markus; Speldrich, Manfred; Kögerler, Paul; Weil, Matthias; Volkmer, Dirk

    2010-08-16

    Homo- and heteropentanuclear coordination compounds [MZn(4)Cl(4)(L)(6)] (M(II) = Zn, Fe, Co, Ni, or Cu; L = 5,6-dimethyl-1,2,3-benzotriazolate) were prepared containing mu(3)-bridging N-donor ligands (1,2,3-benzotriazolate), which are structurally related to the fundamental secondary building unit of Metal-organic Framework Ulm University-4 (MFU-4). The unique topology of these T(d)-symmetrical compounds is characterized by the nonplanar K(3,3) graph, introduced into graph theory by the mathematician Casimir Kuratowski in 1930. The following "Kuratowski-type" compounds were investigated by single-crystal X-ray structure analysis: [MZn(4)Cl(4)(Me(2)bta)(6)].2DMF (M(II) = Zn, Fe, Co, and Cu; DMF = N,N'-dimethylformamide) and [MZn(4)Cl(4)(Me(2)bta)(6)].2C(6)H(5)Br (M(II) = Co and Ni; C(6)H(5)Br = bromobenzene). The mu(3)-bridging benzotriazolate ligands span the edges of an imaginary tetrahedron, in the center of which a redox-active octahedrally coordinated M(II) ion is placed. Four Zn(II) ions are located at the corners of the coordination units. Each Zn center is bound to a monodentate Cl(-) anion and three N-donor atoms stemming from different benzotriazolate ligands. The fact that open-shell redox-active M(II) ions can be introduced selectively into the central octahedral coordination sites is unambiguously proven by a combination of magnetic measurements, UV-vis spectroscopy, and energy-dispersive X-ray and inductively coupled plasma atomic emission spectrometry analysis. The phase purity of all compounds was checked by powder X-ray diffractometry, IR spectroscopy, and elemental analysis. The electronic spectra and magnetic properties of the compounds are in complete agreement with their structures determined from single-crystal data. Thermogravimetric analysis shows that all compounds possess a high thermal stability up to 673 K. The pentanuclear compounds retain their structural integrity in solution, as evidenced by time-of-flight mass spectrometry analysis

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

    PubMed

    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.

  3. A novel dinuclear bismuth(III) coordination compound: bis(μ-pyridine-2,6-dicarboxylato)-κ4O2,N,O6:O6′;κ4O2:O2′,N,O6-bis[(azido-κN)(1,10-phenanthroline-κ2N,N')bismuth(III)] tetrahydrate.

    PubMed

    Zhang, Wei; Feng, Yu-Quan

    2014-06-01

    A novel dinuclear bismuth(III) coordination compound, [Bi2(C7H3NO4)2(N3)2(C12H8N2)2]·4H2O, has been synthesized by an ionothermal method and characterized by elemental analysis, energy-dispersive X-ray spectroscopy, IR, X-ray photoelectron spectroscopy and single-crystal X-ray diffraction. The molecular structure consists of one centrosymmetric dinuclear neutral fragment and four water molecules. Within the dinuclear fragment, each Bi(III) centre is seven-coordinated by three O atoms and four N atoms. The coordination geometry of each Bi(III) atom is distorted pentagonal-bipyramidal (BiO3N4), with one azide N atom and one bridging carboxylate O atom located in axial positions. The carboxylate O atoms and water molecules are assembled via O-H···O hydrogen bonds, resulting in the formation of a three-dimensional supramolecular structure. Two types of π-π stacking interactions are found, with centroid-to-centroid distances of 3.461 (4) and 3.641 (4) Å.

  4. Developmental coordination disorder

    MedlinePlus

    ... with visual or fine motor coordination (for example, writing, using scissors, tying shoelaces, or tapping one finger ... take notes may help children who have trouble writing. Children with developmental coordination disorder are more likely ...

  5. Strategies, linkers and coordination polymers for high-performance sorbents

    DOEpatents

    Matzger, Adam J.; Wong-Foy, Antek G.; Lebel, Oliver

    2015-09-15

    A linking ligand compound includes three bidentate chemical moieties distributed about a central chemical moiety. Another linking ligand compound includes a bidentate linking ligand and a monodentate chemical moiety. Coordination polymers include a plurality of metal clusters linked together by residues of the linking ligand compounds.

  6. Cognitive Personal Coordination Assistants

    DTIC Science & Technology

    2005-03-01

    of TÆMS [2, 7], DTC agent scheduling [16, 19, 12], GPGP agent coordination [2, 1, 6], and a similar approach to team coordination [17]. From the...a tactical TÆMS view, and how a Generalized Partial Global Planning ( GPGP ) coordination mechanism operates over the tactical views. Although we don’t...Norman Carver, Alan Garvey, Daniel Neiman, and Nagendra Prasad. Evolution of the GPGP Domain-Independent Coordination Framework. Computer Science

  7. Opportunities in care coordination.

    PubMed

    Meckes, Cathy S

    2005-10-01

    The growing incidence of chronic illness and the increase in the number of elderly individuals wishing to live in their own homes as long as possible have created opportunities for care coordination services. Home care providers are well positioned to take advantage of the need for care coordination. The developing nature of the market for these services means providers ready to offer care coordination can influence how care coordination services will be packaged, delivered, and funded.

  8. [Coordination mechanism and antioxidant activity of L-hydroxyproline zinc(II)].

    PubMed

    Zuo, Rui-Ya; Zhou, Xiao-Hua; Du, Shou-Ying

    2007-07-01

    The coordination compound of L-hydroxyproline (Hyp)-Zn (II) was synthesized with Hyp and zinc sulfate as raw materials in water medium, coordination Synthesizing Mechanism and Antioxidant Activity of Hyp-Zn(II) coordination compound has been researched. Compared with Hyp, the infrared spectrogram of Hyp-Zn (II) coordination compound emerge a new absorption peak at 1100 cm(-1). Conclusion could be obtained that there exists a coordination effect between Hyp and ZnSO4; TG and DSC curve of Hyp and Hyp-Zn(II) coordination compound were analysed. Compared with Hyp, the peak of Hyp-Zn(II) disappear at 290 degrees C and 375 degrees C. This phenomenon confirmed the front conclusion; At the NMR graph of Hyp-Zn(II) coordination compound, the disappearance of the alpha-carboxyl-hydrogen and alpha-hydroxyl-hydrogen's peak at 3.5-3.9 ppm could indicate that combination's position of Hyp is alpha-carboxyl and alpha-hydroxyl; Structure of Hyp-Zn(II) coordination compound were exosyndrome by the Atomic Force microscopy. It is showed that centr-atom Zn(II) was surrounded by several Hyp at Hyp-Zn(II) coordination compound's phase diagram; The proportion of Hyp-Zn(H) coordination compound was determined by dialysis experiment, the proportion is 4:1; Above-mentioned determination and exosyndrome indicated that the molecular formula of Hyp-Zn (II) coordination compound is Zn(Hyp)4.H2O. The results indicated that the Hyp-Zn(II) coordination compound can inhibit hydroxyl free radicals of Zn(II), and the Percentage of Inhibition is 75.5%; the total antioxidant activities of Hyp-Zn(II) coordination compound is 80.167 u/mL, the anti-superoxide activities of Hyp-Zn (II) coordination compound is 53.19 u/mL.

  9. Processing Coordination Ambiguity

    ERIC Educational Resources Information Center

    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…

  10. Literacy Coordinators' Handbook.

    ERIC Educational Resources Information Center

    Department for Education and Skills, London (England).

    This handbook is designed to provide support for England's National Literacy Strategy's Literacy Coordinators leading and coordinating literacy across the school. The handbook is designed as a working document and will contain additional materials, LEA (local education authorities) guidance, and additional papers which Coordinators may choose to…

  11. Analysis Coordinator Report

    NASA Technical Reports Server (NTRS)

    Nothnagel, A.

    2013-01-01

    We present the IVS analysis coordination issues of 2012. The IVS Analysis Coordinator is responsible for generating and disseminating the official IVS products. This requires consistency of the input data by strict adherence to models and conventions. The term of the current IVS Analysis Coordinator will end on February 28, 2013.

  12. Processing Coordination Ambiguity

    ERIC Educational Resources Information Center

    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…

  13. Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [TmBut]Cd(O2CR)

    PubMed Central

    2016-01-01

    A series of cadmium carboxylate compounds in a sulfur-rich environment provided by the tris(2-tert-butylmercaptoimidazolyl)hydroborato ligand, namely, [TmBut]CdO2CR, has been synthesized via the reactions of the cadmium methyl derivative [TmBut]CdMe with RCO2H. Such compounds mimic aspects of cadmium-substituted zinc enzymes and also the surface atoms of cadmium chalcogenide crystals, and have therefore been employed to model relevant ligand exchange processes. Significantly, both 1H and 19F NMR spectroscopy demonstrate that the exchange of carboxylate groups between [TmBut]Cd(κ2-O2CR) and the carboxylic acid RCO2H is facile on the NMR time scale, even at low temperature. Analysis of the rate of exchange as a function of concentration of RCO2H indicates that reaction occurs via an associative rather than dissociative pathway. In addition to carboxylate compounds, the thiocarboxylate derivative [TmBut]Cd[κ1-SC(O)Ph] has also been synthesized via the reaction of [TmBut]CdMe with thiobenzoic acid. The molecular structure of [TmBut]Cd[κ1-SC(O)Ph] has been determined by X-ray diffraction, and an interesting feature is that, in contrast to the carboxylate derivatives [TmBut]Cd(κ2-O2CR), the thiocarboxylate ligand binds in a κ1 manner via only the sulfur atom. PMID:25826184

  14. New rare earth metal complexes with nitrogen-rich ligands: 5,5'-bitetrazolate and 1,3-bis(tetrazol-5-yl)triazenate-on the borderline between coordination and the formation of salt-like compounds.

    PubMed

    Eulgem, Patrick J; Klein, Axel; Maggiarosa, Nicola; Naumann, Dieter; Pohl, Roland W H

    2008-01-01

    From the two nitrogen-rich ligands BT(2-) (BT=5,5'-bitetrazole) and BTT(3-) (BTT=1,3-bis(1H-tetrazol-5-yl)triazene), a series of novel rare earth metal complexes were synthesised. For the BT ligand, a vast number of these complexes could be structurally characterised by single-crystal XRD, revealing structures ranging from discrete molecular aggregates to salt-like compounds. The isomorphous complexes [La2(BT)3]14 H2O (1) and [Ce2(BT)3]14 H2O (2) reveal discrete molecules in which one BT(2-) acts as a bridging ligand and two BT groups as chelating ligands. The complexes, [M(BT)(H2O)7]2[BT] x (x) H2O (3-5), (M=Nd (3), Sm (4), and Eu (5)), are also isomorphous and consist of [M(BT)(H2O)7]+ ions in which only one BT(2-) acts as a chelate ligand for each metal centre. [Tb(H2O)8]2[BT]3 x H2O (6) and [Er(H2O)8](2)[BT](3)x H2O (7) are salt-like compounds that do not exhibit any significant metal-nitrogen contacts. In the BTT-samarium compound 9, discrete molecules were found in which BTT(3-) acts as a tridentate ligand with three Sm--N bonds.

  15. Synthesis and structures of cadmium carboxylate and thiocarboxylate compounds with a sulfur-rich coordination environment: Carboxylate exchange kinetics involving tris(2-mercapto-1- t-butylimidazolyl)hydroborato cadmium complexes, [TmBut]Cd(O2CR)

    DOE PAGES

    Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; ...

    2015-03-31

    Here, a series of cadmium carboxylate compounds in a sulfur-rich environment provided by the tris(2-tert-butylmercaptoimidazolyl)hydroborato ligand, namely, [TmBut]CdO2CR, has been synthesized via the reactions of the cadmium methyl derivative [TmBut]CdMe with RCO2H. Such compounds mimic aspects of cadmium-substituted zinc enzymes and also the surface atoms of cadmium chalcogenide crystals, and have therefore been employed to model relevant ligand exchange processes. Significantly, both 1H and 19F NMR spectroscopy demonstrate that the exchange of carboxylate groups between [TmBut]Cd(κ2-O2CR) and the carboxylic acid RCO2H is facile on the NMR time scale, even at low temperature. Analysis of the rate of exchange as amore » function of concentration of RCO2H indicates that reaction occurs via an associative rather than dissociative pathway. In addition to carboxylate compounds, the thiocarboxylate derivative [TmBut]Cd[κ1-SC(O)Ph] has also been synthesized via the reaction of [TmBut]CdMe with thiobenzoic acid. The molecular structure of [TmBut]Cd[κ1-SC(O)Ph] has been determined by X-ray diffraction, and an interesting feature is that, in contrast to the carboxylate derivatives [TmBut]Cd(κ2-O2CR), the thiocarboxylate ligand binds in a κ1 manner via only the sulfur atom.« less

  16. 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

    NASA Astrophysics Data System (ADS)

    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.

  17. 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).

    PubMed

    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.

  18. Reactivity of niobium(v) and tantalum(v) halides with carbonyl compounds: synthesis of simple coordination adducts, C-H bond activation, C=O protonation, and halide transfer.

    PubMed

    Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano

    2007-10-10

    The metal halides of Group 5 MX(5) (M = Nb, Ta; X = F, Cl, Br) react with ketones and acetylacetones affording the octahedral complexes [MX(5)(ketone)] () and [TaX(4){kappa(2)(O)-OC(Me)C(R)C(Me)O}] (R = H, Me, ), respectively. The adducts [MX(5)(acetone)] are still reactive towards acetone, acetophenone or benzophenone, giving the aldolate species [MX(4){kappa(2)(O)-OC(Me)CH(2)C(R)(R')O}] (). The syntheses of (M = Ta, X = F, R = R' = Ph) and (M = Ta, X = Cl, R = Me, R' = Ph) take place with concomitant formation of [(Ph(2)CO)(2)-H][TaF(6)], and [(MePhCO)(2)-H][TaCl(6)], respectively. The compounds [acacH(2)][TaF(6)], and [TaF{OC(Me)C(Me)C(Me)O}(3)][TaF(6)], have been isolated as by-products in the reactions of TaF(5) with acacH and 3-methyl-2,4-pentanedione, respectively. The molecular structures of, and have been ascertained by single crystal X-ray diffraction studies.

  19. Social Postural Coordination

    ERIC Educational Resources Information Center

    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. Team coordination dynamics.

    PubMed

    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.

  1. Transition Coordinators: Define Yourselves.

    ERIC Educational Resources Information Center

    Asselin, Susan B.; Todd-Allen, Mary; deFur, Sharon

    1998-01-01

    Describes a technique that was used successfully to identify the changing roles and responsibilities of special educators as transition coordinators. The Developing a Curriculum (DACUM) model uses people who are currently working in the occupation to define job responsibilities. The duties of a transition coordinator are identified. (CR)

  2. Social Postural Coordination

    ERIC Educational Resources Information Center

    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…

  3. The collective coordinates Jacobian

    NASA Astrophysics Data System (ADS)

    Schwartz, Moshe; Vinograd, Guy

    2002-05-01

    We develop an expansion for the Jacobian of the transformation from particle coordinates to collective coordinates. As a demonstration, we use the lowest order of the expansion in conjunction with a variational principle to obtain the Percus Yevick equation for a monodisperse hard sphere system and the Lebowitz equations for a polydisperse hard sphere system.

  4. Coordinate Structures in English.

    ERIC Educational Resources Information Center

    Meyer, Charles F.

    1996-01-01

    Examines comparable speech and writing samples in the British and American components of the International Corpus of English (ICE) to study properties of coordinate structures in English. Findings indicate that "and" is a primary coordinator, that "but" and "or" are more peripheral, and that the concept of…

  5. IVS Technology Coordinator Report

    NASA Technical Reports Server (NTRS)

    Whitney, Alan

    2013-01-01

    This report of the Technology Coordinator includes the following: 1) continued work to implement the new VLBI2010 system, 2) the 1st International VLBI Technology Workshop, 3) a VLBI Digital- Backend Intercomparison Workshop, 4) DiFX software correlator development for geodetic VLBI, 5) a review of progress towards global VLBI standards, and 6) a welcome to new IVS Technology Coordinator Bill Petrachenko.

  6. TRIFLUOROMETHYL COMPOUNDS OF GERMANIUM

    DTIC Science & Technology

    FLUORIDES, *GERMANIUM COMPOUNDS, *HALIDES, *ORGANOMETALLIC COMPOUNDS, ALKYL RADICALS, ARSENIC COMPOUNDS, CHEMICAL BONDS, CHEMICAL REACTIONS ...CHLORIDES, CHLORINE COMPOUNDS, HYDROLYSIS, IODIDES, METHYL RADICALS, POTASSIUM COMPOUNDS, PYROLYSIS, STABILITY, SYNTHESIS, TIN COMPOUNDS.

  7. General curvilinear coordinate systems

    NASA Technical Reports Server (NTRS)

    Thompson, J. P.

    1982-01-01

    The basic ideas of the construction and use of numerically-generated boundary-fitted coordinate systems for the numerical solution of partial differential equations are discussed. With such coordinate systems, all computation can be done on a fixed square grid in the rectangular transformed region regardless of the shape or movement of the physical boundaries. A number of different types of configurations for the transformed region and the basic transformation relations from a cartesian system to a general curvilinear system are given. The material of this paper is applicable to all types of coordinate system generation.

  8. Uranyl ion coordination

    USGS Publications Warehouse

    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.

  9. Valence, Covalence, Hypervalence, Oxidation State, and Coordination Number

    ERIC Educational Resources Information Center

    Smith, Derek W.

    2005-01-01

    Valence as a numerical measure of an atom's combining power, expressed by the number of bonds it forms in a molecular formulation of the compound in question, was unable to cope with coordination compounds. The covalence of an atom is the nearest model equivalent, but is subject to ambiguity since it often depends on which bonding model is being…

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

    NASA Astrophysics Data System (ADS)

    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.

  11. Movement and Coordination

    MedlinePlus

    ... the Word Shop AAP Find a Pediatrician Ages & Stages Prenatal Baby Toddler Fitness Nutrition Toilet Training Preschool Gradeschool Teen Young Adult Healthy Children > Ages & Stages > Toddler > Movement and Coordination Ages & Stages Listen Español ...

  12. Environmental Compliance Issue Coordination

    EPA Pesticide Factsheets

    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

  13. Electrical conductive coordination polymers.

    PubMed

    Givaja, Gonzalo; Amo-Ochoa, Pilar; Gómez-García, Carlos J; Zamora, Félix

    2012-01-07

    Coordination polymers are currently one of the hottest topics in Inorganic and Supramolecular Chemistry. This critical review summarizes the current state-of-the-art on electrical conductive coordination polymers (CPs), also named metal-organic frameworks (MOFs). The data were collected following two sort criteria of the CPs structure: dimensionality and bridging ligands (151 references). This journal is © The Royal Society of Chemistry 2012

  14. Magnetic Coordinate Systems

    NASA Astrophysics Data System (ADS)

    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.

  15. Mapping brains without coordinates

    PubMed Central

    Kötter, Rolf; Wanke, Egon

    2005-01-01

    Brain mapping has evolved considerably over the last century. While most emphasis has been placed on coordinate-based spatial atlases, coordinate-independent parcellation-based mapping is an important technique for accessing the multitude of structural and functional data that have been reported from invasive experiments, and provides for flexible and efficient representations of information. Here, we provide an introduction to motivations, concepts, techniques and implications of coordinate-independent mapping of microstructurally or functionally defined brain structures. In particular, we explain the problems of constructing mapping paths and finding adequate heuristics for their evaluation. We then introduce the three auxiliary concepts of acronym-based mapping (AM), of a generalized hierarchy (GM ontology), and of a topographically oriented regional map (RM) with adequate granularity for mapping between individual brains with different cortical folding and between humans and non-human primates. Examples from the CoCoMac database of primate brain connectivity demonstrate how these concepts enhance coordinate-independent mapping based on published relational statements. Finally, we discuss the strengths and weaknesses of spatial coordinate-based versus coordinate-independent microstructural brain mapping and show perspectives for a wider application of parcellation-based approaches in the integration of multi-modal structural, functional and clinical data. PMID:15971361

  16. [Coordination and donation].

    PubMed

    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.

  17. Magnetic Coordinate Systems

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

    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.

  18. Polybenzimidazole compounds

    DOEpatents

    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.

  19. Polybenzimidazole compounds

    SciTech Connect

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

    2011-11-22

    A PBI compound includes imidazole nitrogens at least a portion of which are substituted with a moiety containing a carbonyl group, the substituted imidazole nitrogens being bonded to carbon of the carbonyl group. At least 85% of the nitrogens may be substituted. The carbonyl-containing moiety may include RCO--, where R is alkoxy or haloalkyl. The PBI compound may exhibit a first temperature marking an onset of weight loss corresponding to reversion of the substituted PBI that is less than a second temperature marking an onset of decomposition of an otherwise identical PBI compound without the substituted moiety. 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 use more than 5 equivalents in relation to the imidazole nitrogens to be substituted.

  20. Chronic care coordination.

    PubMed

    Peters, Steve G; Bunkers, Kari S

    2015-10-01

    Chronic care management describes the services provided to patients with two or more chronic conditions that pose risks of exacerbation, clinical deterioration, or death. These services extend beyond the typical face-to-face office visit and require coordination and oversight by a physician or other qualified health-care professional to maintain and modify as necessary a comprehensive and multidisciplinary plan of care. New codes for 2015 describe chronic care management services per calendar month. While the new services acknowledge the role and importance of coordination by primary care providers, they are also appropriate for specialists who oversee the management of all of the chronic conditions of a patient and provide access, education, care coordination, communication, and health information exchange with other providers.

  1. From iron coordination compounds to metal oxide nanoparticles.

    PubMed

    Iacob, Mihail; Racles, Carmen; Tugui, Codrin; Stiubianu, George; Bele, Adrian; Sacarescu, Liviu; Timpu, Daniel; Cazacu, Maria

    2016-01-01

    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, [Fe2(III)Fe(II)O(CH3COO)6(H2O)3]·2H2O (FeAc1), μ3-oxo trinuclear iron(III) acetate, [Fe3O(CH3COO)6(H2O)3]NO3∙4H2O (FeAc2), iron furoate, [Fe3O(C4H3OCOO)6(CH3OH)3]NO3∙2CH3OH (FeF), iron chromium furoate, FeCr2O(C4H3OCOO)6(CH3OH)3]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.

  2. Coordination Compounds of Aluminum as Precursors to Aluminum Nitride

    DTIC Science & Technology

    1993-05-01

    ocoofii~ateale Al atoms chelooted end bridged by sn-al Upmhd. On Whe hasting , thene clustier speciesa tpateretly go oft o rofmn cor൱ntlned. Insoluble...ratio of El ,AI with eve y*tls a hyd~oeoabsionteals Poyer usmlsads on doorsmn~otiua which can be ined to ,~epaisi AIN Glovs by solution costing IdmAs by...polymuetheswooh tbocsghcondsnm- auttos teacthins involving the mnutirlla N-It and R-AI group on the perilpitry oft). delestr mol-kua. 1 he sittuctioeta

  3. Drawing Mononuclear Octahedral Coordination Compounds Containing Tridentate Chelating Ligands

    ERIC Educational Resources Information Center

    Mohamadou, Aminou; Ple, Karen; Haudrechy, Arnaud

    2011-01-01

    Complexes with tridentate ligands of the type [M(A-B-C)2], where A [not equal to] B [not equal to] C and with an imposed bonding sequence A-B-C, require special attention to draw all possible stereoisomers. Depending on the nature of the central donor atom B of the tridentate ligand, an easy drawing method is presented that shows seven chiral…

  4. COORDINATION COMPOUND-SOLVENT EXTRACTION PROCESS FOR URANIUM RECOVERY

    DOEpatents

    Reas, W.H.

    1959-03-10

    A method is presented for the separation of uranium from aqueous solutions containing a uranyl salt and thorium. Thc separation is effected by adding to such solutions an organic complexing agent, and then contacting the solution with an organic solvent in which the organic complexing agent is soluble. By use of the proper complexing agent in the proper concentrations uranium will be complexed and subsequently removed in the organic solvent phase, while the thorium remains in the aqueous phase. Mentioned as suitable organic complexing agents are antipyrine, bromoantipyrine, and pyramidon.

  5. Drawing Mononuclear Octahedral Coordination Compounds Containing Tridentate Chelating Ligands

    ERIC Educational Resources Information Center

    Mohamadou, Aminou; Ple, Karen; Haudrechy, Arnaud

    2011-01-01

    Complexes with tridentate ligands of the type [M(A-B-C)2], where A [not equal to] B [not equal to] C and with an imposed bonding sequence A-B-C, require special attention to draw all possible stereoisomers. Depending on the nature of the central donor atom B of the tridentate ligand, an easy drawing method is presented that shows seven chiral…

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

    DTIC Science & Technology

    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

  7. From iron coordination compounds to metal oxide nanoparticles

    PubMed Central

    Iacob, Mihail; Racles, Carmen; Tugui, Codrin; Stiubianu, George; Bele, Adrian; Sacarescu, Liviu; Timpu, Daniel

    2016-01-01

    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, [Fe2 IIIFeIIO(CH3COO)6(H2O)3]·2H2O (FeAc1), μ3-oxo trinuclear iron(III) acetate, [Fe3O(CH3COO)6(H2O)3]NO3∙4H2O (FeAc2), iron furoate, [Fe3O(C4H3OCOO)6(CH3OH)3]NO3∙2CH3OH (FeF), iron chromium furoate, FeCr2O(C4H3OCOO)6(CH3OH)3]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. PMID:28144555

  8. [Civilian-military coordination].

    PubMed

    de Montravel, G

    2002-01-01

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

  9. Manual for Youth Coordinators.

    ERIC Educational Resources Information Center

    President's Council on Youth Opportunity, Washington, DC.

    This manual was designed primarily for use by coordinators responsible for developing comprehensive community youth opportunity programs of employment, education, and recreation, but the material may also be of assistance to community and business leaders, educators, and others involved in expanding local opportunities for young people. Contents…

  10. Rockin' Readers Coordinator Handbook.

    ERIC Educational Resources Information Center

    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…

  11. Profiling Computing Coordinators.

    ERIC Educational Resources Information Center

    Edwards, Sigrid; Morton, Allan

    The people responsible for managing school computing resources in Australia have become known as Computing Coordinators. To date there has been no large systematic study of the role, responsibilities and characteristics of this position. This paper represents a first attempt to provide information on the functions and attributes of the Computing…

  12. Block coordination copolymers

    DOEpatents

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

    2012-12-04

    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.

  13. Block coordination copolymers

    DOEpatents

    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.

  14. Block coordination copolymers

    DOEpatents

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

    2014-11-11

    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.

  15. Parallel Coordinate Axes.

    ERIC Educational Resources Information Center

    Friedlander, Alex; And Others

    1982-01-01

    Several methods of numerical mappings other than the usual cartesian coordinate system are considered. Some examples using parallel axes representation, which are seen to lead to aesthetically pleasing or interesting configurations, are presented. Exercises with alternative representations can stimulate pupil imagination and exploration in…

  16. Coordination of Hand Shape

    PubMed Central

    Pesyna, Colin; Pundi, Krishna; Flanders, Martha

    2011-01-01

    The neural control of hand movement involves coordination of the sensory, motor and memory systems. Recent studies have documented the motor coordinates for hand shape, but less is known about the corresponding patterns of somatosensory activity. To initiate this line of investigation, the present study characterized the sense of hand shape by evaluating the influence of differences in the amount of grasping or twisting force, and differences in forearm orientation. Human subjects were asked to use the left hand to report the perceived shape of the right hand. In Experiment 1, six commonly grasped items were arranged on the table in front of the subject: bottle, doorknob, egg, notebook, carton, pan. With eyes closed, subjects used the right hand to lightly touch, forcefully support or imagine holding each object, while 15 joint angles were measured in each hand with a pair of wired gloves. The forces introduced by supporting or twisting did not influence the perceptual report of hand shape, but for most objects, the report was distorted in a consistent manner by differences in forearm orientation. Subjects appeared to adjust the intrinsic joint angles of the left hand, as well as the left wrist posture, so as to maintain the imagined object in its proper spatial orientation. In a second experiment, this result was largely replicated with unfamiliar objects. Thus somatosensory and motor information appear to be coordinated in an object-based, spatial coordinate system, sensitive to orientation relative to gravitational forces, but invariant to grasp forcefulness. PMID:21389230

  17. Origins of Coordinate Searching.

    ERIC Educational Resources Information Center

    Kilgour, Frederick G.

    1997-01-01

    Reviews the origins of post-coordinate searching and emphasizes that the focal point should be on the searcher, not on the item being indexed. Highlights include the history of the term information retrieval; edge notched punch cards; the "peek-a-boo" system; the Uniterm system; and using computers to search for information. (LRW)

  18. Multipurpose Compound

    NASA Technical Reports Server (NTRS)

    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.

  19. Perfluorinated Compounds

    EPA Science Inventory

    Perfluorinated compounds such as the perfluoroalkyl acids (PFAAs) and their derivatives are important man-made chemicals that have wide consumer and industrial applications. They are relatively contemporary chemicals, being in use only since the 1950s, and until recently, have be...

  20. Perfluorinated Compounds

    EPA Science Inventory

    Perfluorinated compounds such as the perfluoroalkyl acids (PFAAs) and their derivatives are important man-made chemicals that have wide consumer and industrial applications. They are relatively contemporary chemicals, being in use only since the 1950s, and until recently, have be...

  1. Shared Activity Coordination

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Barrett, Anthony C.

    2003-01-01

    Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. In domains where agents have varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently reach consensus in real time. We briefly describe a largely unexplored class of real-time, distributed planning problems (inspired by interacting spacecraft missions), new challenges they pose, and a general approach to solving the problems. These problems involve self-interested agents that have infrequent communication but collaborate on joint activities. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities in a dynamic environment, a soft, real-time approach to reaching consensus during execution with limited communication, and a foundation for customizing protocols for negotiating planner interactions. We apply SHAC to a realistic simulation of interacting Mars missions and illustrate the simplicity of protocol development.

  2. Global Coordinate System

    DTIC Science & Technology

    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

  3. Information Theoretic Causal Coordination

    DTIC Science & Technology

    2013-09-12

    his 1969 paper, Clive Granger , British economist and Nobel laureate, proposed a statistical def- inition of causality between stochastic processes. It...showed that the directed infor- mation, an information theoretic quantity, quantifies Granger causality . We also explored a more pessimistic setup...Final Technical Report Project Title: Information Theoretic Causal Coordination AFOSR Award Number: AF FA9550-10-1-0345 Reporting Period: July 15

  4. Universal mechatronics coordinator

    NASA Astrophysics Data System (ADS)

    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.

  5. Coordinating Shared Activities

    NASA Technical Reports Server (NTRS)

    Clement, Bradley

    2004-01-01

    Shared Activity Coordination (ShAC) is a computer program for planning and scheduling the activities of an autonomous team of interacting spacecraft and exploratory robots. ShAC could also be adapted to such terrestrial uses as helping multiple factory managers work toward competing goals while sharing such common resources as floor space, raw materials, and transports. ShAC iteratively invokes the Continuous Activity Scheduling Planning Execution and Replanning (CASPER) program to replan and propagate changes to other planning programs in an effort to resolve conflicts. A domain-expert specifies which activities and parameters thereof are shared and reports the expected conditions and effects of these activities on the environment. By specifying these conditions and effects differently for each planning program, the domain-expert subprogram defines roles that each spacecraft plays in a coordinated activity. The domain-expert subprogram also specifies which planning program has scheduling control over each shared activity. ShAC enables sharing of information, consensus over the scheduling of collaborative activities, and distributed conflict resolution. As the other planning programs incorporate new goals and alter their schedules in the changing environment, ShAC continually coordinates to respond to unexpected events.

  6. Hipparchus' coordinate system

    NASA Astrophysics Data System (ADS)

    Duke, Dennis W.

    2002-07-01

    In his "Histoire de l'Astronomie Ancienne" Delambre concludes unequivocally that Hipparchus knew and used a definite system of celestial spherical coordinates, namely the right ascension and declination system that we use today. The basis of Delambre's conclusion was disarmingly simple: he pointed out that in the "Commentary to Aratus" Hipparchus actually quotes the positions of numerous stars directly in right ascension and declination (or more often its complement, polar distance). Nearly two centuries later, in his "A History of Ancient Mathematical Astronomy", Neugebauer not only completely ignores Delambre's conclusion on this issue, but goes further to propose his own, as we shall see quite fanciful, theory that begins "From the Commentary to Aratus, it is quite obvious that at Hipparchus' time a definite system of spherical coordinates for stellar positions did not yet exist." and concludes "...nowhere in Greek astronomy before the catalogue of stars in the Almagest is it attested that orthogonal spherical coordinates are used to determine stellar positions." Today it is clear that Neugebauer's theory is conventionally accepted. It is the purpose of this paper to offer fresh arguments that Delambre was correct.

  7. Calculating Robot-Joint Coordinates From Image Coordinates

    NASA Technical Reports Server (NTRS)

    1988-01-01

    Detailed knowledge of robot joints not required. Algorithm generates approximate mathematical models of coordinates of joints of robot as functions of coordinates of points in images of work region viewed by television cameras. Joint coordinates necessary to position and orient end effector calculated by mathematical models fitted to experimentally determined data on positions, orientations, and joint coordinates. Generates models as functions of desired location of end effector of robot. Does not require priori knowledge of kinematic equations of robot.

  8. Feasibility of a complex compound heat pump

    NASA Astrophysics Data System (ADS)

    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.

  9. Coordination-Cluster-Based Molecular Magnetic Refrigerants.

    PubMed

    Zhang, Shaowei; Cheng, Peng

    2016-08-01

    Coordination polymers serving as molecular magnetic refrigerants have been attracting great interest. In particular, coordination cluster compounds that demonstrate their apparent advantages on cryogenic magnetic refrigerants have attracted more attention in the last five years. Herein, we mainly focus on depicting aspects of syntheses, structures, and magnetothermal properties of coordination clusters that serve as magnetic refrigerants on account of the magnetocaloric effect. The documented molecular magnetic refrigerants are classified into two primary categories according to the types of metal centers, namely, homo- and heterometallic clusters. Every section is further divided into several subgroups based on the metal nuclearity and their dimensionalities, including discrete molecular clusters and those with extended structures constructed from molecular clusters. The objective is to present a rough overview of recent progress in coordination-cluster-based molecular magnetic refrigerants and provide a tutorial for researchers who are interested in the field. © 2016 The Chemical Society of Japan & Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2003-01-01

    Seawater and natural brines accounted for about 60 percent of U.S. magnesium compounds production during 2002. Dead-burned and caustic-calcined magnesias were recovered from seawater by Premier Chemicals in Florida. They were also recovered from well brines in Michigan by Dow Chemical, Martin Marietta Magnesia Specialties and Rohm & Haas. And they were recovered from magnesite in Nevada by Premier Chemicals.

  11. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2006-01-01

    In 2005, seawater and natural brines accounted for 51% of US magnesium compounds production. World magnesia production was estimated to be 14.5 Mt. Most of the production came from China, North Korea, Russia and Turkey. Although no specific production figures are available, Japan and the United States are estimated to account for almost one-half of the world's capacity from seawater and brines.

  12. Generations of orthogonal surface coordinates

    NASA Technical Reports Server (NTRS)

    Blottner, F. G.; Moreno, J. B.

    1980-01-01

    Two generation methods were developed for three dimensional flows where the computational domain normal to the surface is small. With this restriction the coordinate system requires orthogonality only at the body surface. The first method uses the orthogonal condition in finite-difference form to determine the surface coordinates with the metric coefficients and curvature of the coordinate lines calculated numerically. The second method obtains analytical expressions for the metric coefficients and for the curvature of the coordinate lines.

  13. Industrial Combustion Coordinated Rulemaking.

    PubMed

    Melton, Lula H

    1996-08-01

    The following article is excerpted from the document Industrial Combustion Coordinated Rulemaking - Proposed Organizational Structure and Process, which is available from the Technology Transfer Network (TTN), a computer bulletin board. To access the TTN, call (919) 541-5742; to obtain help with the TTN, call (919) 541-5384. The Industrial Combustion Coordinated Rulemaking (ICCR) document is evolving, reflecting an ongoing dialogue with various stakeholders; therefore, there may be changes between this article and the ICCR as it is implemented. EPA would like to thank all stakeholders (e.g., representatives from various companies and trade associations, state and local air pollution control agencies, and environmental organizations) who have offered suggestions and comments on development of the ICCR. As mentioned in the implications statement, the overall goal of the ICCR is to develop a unified set of federal air emissions regulations. The proposed ICCR will achieve this goal by: • Obtaining active participation from stakeholders, including environmental groups, regulated industries, and state and local regulatory agencies in all phases of regulatory development. • Coordinating the schedule and approach for development of regulations under Sections 111, 112, and 129 of the Clean Air Act that affect ICI combustion. • Determining the most effective ways to address the environmental issues associated with toxic and criteria pollutants from the range of combustion sources. • More effectively considering interactions among the regulations by analyzing the combined benefits and economic impacts of the group of Section 111, 112, and 129 regulations. • Considering strategies to simplify the regulations and allow flexibility in the methods of compliance while maintaining full environmental benefits.

  14. Work Coordination Engine

    NASA Technical Reports Server (NTRS)

    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.

  15. Markov stochasticity coordinates

    NASA Astrophysics Data System (ADS)

    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.

  16. Martian surface coordinates

    NASA Technical Reports Server (NTRS)

    Davies, M. E.; Arthur, D. W. G.

    1973-01-01

    The resolution of the pictures from the Mariner 9 mission determines the distribution of the control points, as well as the gaps in the planet-wide control net. After discussing the photogrammetric equations and the computational method used to establish the planet-wide control net and the secondary net, the camera stations and the assumed physical properties of Mars are considered. Subsequent paragraphs contain a description of the control points, their measurements, and a discussion of how distortions are removed. Finally, results of the computations are given, with tables of coordinates for the control points.

  17. Test reactor irradiation coordination

    SciTech Connect

    Heartherly, D.W.; Siman Tov, I.I.; Sparks, D.W.

    1995-10-01

    This task was established to supply and coordinate irradiation services needed by NRC contractors other than ORNL. These services include the design and assembly of irradiation capsules as well as arranging for their exposure, disassembly, and return of specimens. During this period, the final design of the facility and specimen baskets was determined through an iterative process involving the designers and thermal analysts. The resulting design should permit the irradiation of all test specimens to within 5{degrees}C of their desired temperature. Detailing of all parts is ongoing and should be completed during the next reporting period. Procurement of the facility will also be initiated during the next review period.

  18. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2011-01-01

    Seawater and natural brines accounted for about 54 percent of U.S. magnesium compounds production in 2010. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash-Wendover 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 in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its operation mentioned above.

  19. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2010-01-01

    Seawater and natural brines accounted for about 40 percent of U.S. magnesium compounds production in 2009. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Chemicals in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover, 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 in Delaware and Premier Chemicals in Florida, and by Martin Marietta from its operation mentioned above.

  20. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2002-01-01

    Seawater and natural brines accounted for about 60% of US magnesium compounds production in 2001. Dead-burned and caustic-calcined magnesias were recovered from seawater in Florida by Premier Chemicals. They were also recovered from Michigan well brines by Dow Chemical, Martin Marietta Magnesia Specialties and Rohm & Haas. And Premier Chemicals recovered dead-burned and caustic-calcined magnesias from magnesite in Nevada. Reilly Industries and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah.

  1. Continual coordination of shared activities

    NASA Technical Reports Server (NTRS)

    Clement, B. J.; Barrett, A.

    2002-01-01

    Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. For domains with varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently achieve their goals. ShAC (Shared Activity Coordination) is a framework for designing coordination protocols and an algorithm for continually coordinating agents using these protocols during execution. We show how a variety of protocols can be constructed using this framework and describe how ShAC coordinates two rovers and an orbiter in a simulated Mars scenario.

  2. Conformal Fermi Coordinates

    SciTech Connect

    Dai, Liang; Pajer, Enrico; Schmidt, Fabian E-mail: Enrico.pajer@gmail.com

    2015-11-01

    Fermi Normal Coordinates (FNC) are a useful frame for isolating the locally observable, physical effects of a long-wavelength spacetime perturbation. Their cosmological application, however, is hampered by the fact that they are only valid on scales much smaller than the horizon. We introduce a generalization that we call Conformal Fermi Coordinates (CFC). CFC preserve all the advantages of FNC, but in addition are valid outside the horizon. They allow us to calculate the coupling of long- and short-wavelength modes on all scales larger than the sound horizon of the cosmological fluid, starting from the epoch of inflation until today, by removing the complications of the second order Einstein equations to a large extent, and eliminating all gauge ambiguities. As an application, we present a calculation of the effect of long-wavelength tensor modes on small scale density fluctuations. We recover previous results, but clarify the physical content of the individual contributions in terms of locally measurable effects and ''projection'' terms.

  3. Magnesium compounds

    USGS Publications Warehouse

    Kramer, D.A.

    2007-01-01

    Seawater and natural brines accounted for about 52 percent of U.S. magnesium compounds production in 2006. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from sea-water by Premier Chemicals in Florida; from well brines in Michigan by Martin Marietta and Rohm and Haas; and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from brucite by Applied Chemical Magnesias in Texas, from seawater by SPI Pharma in Delaware and Premier Chemicals in Florida, and by Martin Marietta and Rohm and Haas from their operations mentioned above. About 59 percent of the magnesium compounds consumed in the United States was used for refractories that are used mainly to line steelmaking furnaces. The remaining 41 percent was consumed in agricultural, chemical, construction, environmental and industrial applications.

  4. Intermetallic Compounds

    NASA Astrophysics Data System (ADS)

    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-<-| S 373K|-<-550- μV-K-1 for undoped samples, it should be possible to obtain highly efficient thermoelectric materials both by adjusting the carrier concentration and by reducing the thermal conductivity. Here, we report the effects of doping on the thermoelectric properties of 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.

  5. Coordinate cytokine regulatory sequences

    DOEpatents

    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.

  6. EFFECTS OF TWO ANTIHISTAMINE-CONTAINING COMPOUNDS UPON PERFORMANCE AT THREE ALTITUDES,

    DTIC Science & Technology

    performance on a modified Mashburn coordinator. Another compound containing the antihistamine chlorpheniramine did impair performance. Performance was also...impaired by increasing altitudes. The combined effects of the chlorpheniramine compound and increased altitude proved more detrimental to

  7. A CNT-like coordination tube with cyano-bridges.

    PubMed

    Xia, Jun; Shi, Wei; Chen, Xiao-Yan; Wang, Hong-Sheng; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping

    2007-06-21

    Reaction of K2[Ru(bipy)(CN)4] with MnCl2 produces a novel bimetallic compound {Mn(H2O)2[Ru(bipy)(CN)4]} (bipy = 2,2'-bipydine), exhibiting a CNT-like structure bridged by cyanide groups and high thermal stability, which has been first observed in coordination polymers.

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

    PubMed

    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. Copyright 2004 American Chemical Society

  9. Magnesium compounds

    USGS Publications Warehouse

    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.

  10. Bismaleimide compounds

    DOEpatents

    Adams, J.E.; Jamieson, D.R.

    1986-01-14

    Bismaleimides of the formula shown in the diagram wherein R[sub 1] and R[sub 2] each independently is H, C[sub 1-4]-alkyl, C[sub 1-4]-alkoxy, Cl or Br, or R[sub 1] and R[sub 2] together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R[sub 1] and R[sub 2] are not t-butyl or t-butoxy; X is O, S or Se; n is 1--3; and the alkylene bridging group, optionally, is substituted by 1--3 methyl groups or by fluorine, form polybismaleimide resins which have valuable physical properties. Uniquely, these compounds permit extended cure times, i.e., they remain fluid for a time sufficient to permit the formation of a homogeneous melt prior to curing.

  11. Bismaleimide compounds

    DOEpatents

    Adams, Johnnie E.; Jamieson, Donald R.

    1986-01-14

    Bismaleimides of the formula ##STR1## wherein R.sub.1 and R.sub.2 each independently is H, C.sub.1-4 -alkyl, C.sub.1-4 -alkoxy, C1 or Br, or R.sub.1 and R.sub.2 together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R.sub.1 and R.sub.2 are not t-butyl or t-butoxy; X is O, S or Se; n is 1-3; and the alkylene bridging group, optionally, is substituted by 1-3 methyl groups or by fluorine, form polybismaleimide resins which have valuable physical properties. Uniquely, these compounds permit extended cure times, i.e., they remain fluid for a time sufficient to permit the formation of a homogeneous melt prior to curing.

  12. Noncommuting spherical coordinates

    SciTech Connect

    Bander, Myron

    2004-10-15

    Restricting the states of a charged particle to the lowest Landau level introduces a noncommutativity between Cartesian coordinate operators. This idea is extended to the motion of a charged particle on a sphere in the presence of a magnetic monopole. Restricting the dynamics to the lowest energy level results in noncommutativity for angular variables and to a definition of a noncommuting spherical product. The values of the commutators of various angular variables are not arbitrary but are restricted by the discrete magnitude of the magnetic monopole charge. An algebra, isomorphic to angular momentum, appears. This algebra is used to define a spherical star product. Solutions are obtained for dynamics in the presence of additional angular dependent potentials.

  13. Network Coordinator Report

    NASA Technical Reports Server (NTRS)

    Himwich, Ed; Strand, Richard

    2013-01-01

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

  14. Coordinating Group report

    SciTech Connect

    Not Available

    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.

  15. On a new coordinate system with astrophysical application: Spiral coordinates

    NASA Astrophysics Data System (ADS)

    Campos, L. M. B. C.; Gil, P. J. S.

    In this presentation are introduced spiral coordinates, which are a particular case of conformal coordinates, i.e. orthogonal curvelinear coordinates with equal factors along all coordinate axis. The spiral coordinates in the plane have as coordinate curves two families of logarithmic spirals, making a constant angle, respectively phi and pi / 2-phi, with all radial lines, where phi is a parameter. They can be obtained from a complex function, representing a spiral potential flow, due to the superposition of a source/sink with a vortex; the parameter phi in this case specifies the ratio of the ass flux of source/sink to the circulation of the vortex. Regardless of hydrodynamical or other interpretations, spiral coordinates are particulary convenient in situation where physical quantities vary only along a logarithmicspiral. The example chosen is the propagation of Alfven waves along a logarithmic spiral, as an approximation to Parker's spiral. The equation of dissipative MHD are written in spiral coordinates, and eliminated to specify the Alfven wave equation in spiral coordinates; the latter is solved exactly in terms of Bessel functions, and the results analyzed for values of the parameters corresponding to the solar wind.

  16. /sup 127/I NQR spectra of carborane-containing compounds of polycoordinated iodine

    SciTech Connect

    Semin, G.K.; Grushin, V.V.; Gushchin, S.I.; Lisichkina, I.N.; Petokhov, S.A.; Tolstaya, T.P.

    1985-05-20

    The NQR spectra of polycoordinated iodine compounds is studied. A table presents the I 127 NQR spectra of electroneutral PhIC1/sub 2/ derivatives with intermolecular coordination in the solid state and ionic compounds including compounds with interionic coordination. A considerable increase in the quadrupole coupling constants and significant decrease in the asymmetry parameter is found in carborane-containing CBIC1/sub 2/ and PhCBIX compounds in comparison with the corresponding phenyl and diphenyl derivatives.

  17. 78 FR 73819 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    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...

  18. Coordination and crystallization molecules: their interactions affecting the dimensionality of metalloporphyrinic SCFs.

    PubMed

    Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren Karmele; Arriortua, María Isabel

    2015-04-15

    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.

  19. Molecular tectonics: hierarchical organization of heterobimetallic coordination networks into heterotrimetallic core-shell crystals.

    PubMed

    Zhang, Fan; Adolf, Cyril R R; Zigon, Nicolas; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais

    2017-03-23

    Combinations of a neutral Pt(ii) organometallic tecton bearing two triphenylphosphine and two 3-ethynylpyridyl coordinating moieties in trans positions with MX2 complexes (M = Co(ii) and X = Cl(-) or Br(-) and M = Zn(ii) and X = Cl(-)) lead to the formation of isostructural 1D heterobimetallic coordination compounds. By 3D epitaxial growth processes, using coordination bonding, heterotrimetallic core-shell crystals are generated by the growth of crystalline layers on seed crystals.

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

    PubMed

    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.

  1. The Neural Network In Coordinate Transformation

    NASA Astrophysics Data System (ADS)

    Urusan, Ahmet Yucel

    2011-12-01

    In international literature, Coordinate operations is divided into two categories. They are coordinate conversion and coordinate transformation. Coordinates converted from coordinate system A to coordinate system B in the same datum (mean origine, scale and axis directions are same) by coordinate conversion. There are two different datum in coordinate transformation. The basis of each datum to a different coordinate reference system. In Coordinate transformation, coordinates are transformed from coordinate reference system A to coordinate referance system B. Geodetic studies based on physical measurements. Coordinate transformation needs identical points which were measured in each coordinate reference system (A and B). However it is difficult (and need a big reserved budget) to measure in some places like as top of mountain, boundry of countries and seaside. In this study, this sample problem solution was researched. The method of learning which is one of the neural network methods, was used for solution of this problem.

  2. Single-ion magnetism in seven-coordinate Yb(III) complexes with distorted D5h coordination geometry.

    PubMed

    Wu, Dong-Qing; Shao, Dong; Wei, Xiao-Qin; Shen, Fu-Xing; Shi, Le; Zhang, Yi-Quan; Wang, Xin-Yi

    2017-09-18

    Two seven-coordinate compounds with pentagonal bipyramidal Yb(III) centers, namely, [Yb(H3Bmshp)(DMF)2Cl2]·DMF·1.5H2O (1) and [Yb(H3Bmshp)(DMF)2Cl2]·H4Bmshp (2) (H4Bmshp = (2,6-bis[(3-methoxysalicylidene)hydrazinecarbonyl]-pyridine)) were synthesized by changing the molar ratio of reactants in DMF. The structures of compounds 1 and 2 are very similar, except for the existence of different lattice molecules: one DMF and one and a half water molecules in 1, and one neutral uncoordinated ligand in 2. The coordination geometries of both the pentagonal bipyramidal Yb(III) centers (YbCl2N1O4) in compounds 1 and 2 are also very similar with only slight differences. Magnetic data analyses revealed that the subtle structure variations result in remarkable different slow magnetic relaxation properties of compounds 1 and 2. To further understand their magnetic behaviors, ab initio calculations were performed for both compounds 1 and 2. The calculated results indicate that the magnetic anisotropies of compounds 1 and 2 are significantly different: easy-plane magnetic anisotropy for 1 and easy-axis magnetic anisotropy for 2. To the best of our knowledge, these compounds are the first Yb(III)-based SIMs of pentagonal bipyramidal geometry.

  3. [University training for coordinators].

    PubMed

    Gotti, G

    2006-01-01

    We need an adequate quality level of information between the building design and manufacturing process for Health and Safety in the work site. A fully-developed communication system is needed, for H&S Coordinators, in order to integrate alphanumerical and graphical protocols. The Aim is: (1) to organise information on the building process, keeping communications in function of everyone's needs; (2) to carry out an audit process ensuring that all levels of contractors personnel are implementing the Project of Health and Safety Management Plan effectively; (3) To make all that with a Program Interface relatively simple. The synergy between Safety Manager and Designers generates a system output integrating all sorts of alphanumerical, graphical information and prescriptions. This system output has several targets: (1) to integrate Design and H&S in a specific Data-Base; (2) to define the preconditions of the work phases; (3) to develop the Work Program of Enterprise in function of the Health and Safety Plan in compliance with the contractor site-specific plan; (4) to develop a program process for the audit; (5) to review the contractor's Project for H & S; (6) to manage responsibility; (7) to keep corrective action.

  4. Future Coordinated Universal Time

    NASA Astrophysics Data System (ADS)

    McCarthy, Dennis D.

    Coordinated Universal Time (UTC), created by adjusting International Atomic Time (TAI) by the appropriate number of leap seconds, is the uniform time scale that is the basis of most civil timekeeping in the world. The concept of a leap second was introduced to ensure that UTC would not differ by more than 0.9 seconds from UT1, the time determined by the rotation of the Earth. The principal reason for this was to meet the requirements of celestial navigation. However, with the proliferation in the use of satellite navigation, it is appropriate to reconsider this historical position. In view of emerging problems with the current definition of UTC in navigation and communications, user dissatisfaction with leap seconds is beginning to surface. Even with accurate estimates of the deceleration of the Earth's rotation there remain significant variations in the Earth's rate of rotation, which prevent the prediction of leap seconds beyond a few months in advance. The inability to predict leap seconds coupled with the growing urgency for a uniform time scale without discontinuities make it appropriate to examine the future definition of UTC.

  5. Ulysses: UVCS Coordinated Observations

    NASA Technical Reports Server (NTRS)

    Suess, S. T.; Poletto, G.; Corti, G.; Simnett, G.; Noci, G.; Romoli, M.; Kohl, J.; Goldstein, B.

    1998-01-01

    We present results from coordinated observations in which instruments on Solar and Heliospheric Observatory (SOHO) and Ulysses were used to measure the density and flow speed of plasma at the Sun and to again measure the same properties of essentially the same plasma in the solar wind. Plasma was sampled by Ultraviolet Coronagraph Spectrometer (UVCS) at 3.5 and 4.5 solar radii and by Ulysses/SWOOPS at 5 AU. Data were acquired during a nearly 2 week period in May-June 1997 at a latitude of 9-10 degrees north of the equator, on the east limb and, hence, in the streamer belt and the source location of slow wind. Density and outflow speed are compared, in order to check for preservation of the near Sun characteristics in the interplanetary medium. By chance, Ulysses was at the very northern edge of the visible streamer belt. Nevertheless, no evidence of fast wind, or mixing with fast wind coming from the northern polar coronal hole, was evident at Ulysses. The morphology of the streamer belt was similar at the beginning and end of the observation period, but was markedly different during the middle of the period. A corresponding change in density (but not flow speed) was noted at Ulysses.

  6. Coordinated Parallel Runway Approaches

    NASA Technical Reports Server (NTRS)

    Koczo, Steve

    1996-01-01

    The current air traffic environment in airport terminal areas experiences substantial delays when weather conditions deteriorate to Instrument Meteorological Conditions (IMC). Expected future increases in air traffic will put additional pressures on the National Airspace System (NAS) and will further compound the high costs associated with airport delays. To address this problem, NASA has embarked on a program to address Terminal Area Productivity (TAP). The goals of the TAP program are to provide increased efficiencies in air traffic during the approach, landing, and surface operations in low-visibility conditions. The ultimate goal is to achieve efficiencies of terminal area flight operations commensurate with Visual Meteorological Conditions (VMC) at current or improved levels of safety.

  7. 75 FR 6590 - Coordinated Communications

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-10

    ...; ] FEDERAL ELECTION COMMISSION 11 CFR Parts 100 and 109 Coordinated Communications AGENCY: Federal Election... Communications published on October 21, 2009, in order to elicit comments addressing the impact of the Supreme... proposed rules regarding coordinated communications. No final decision has been made by the Commission...

  8. Coordinate Dependence of Variability Analysis

    PubMed Central

    Sternad, Dagmar; Park, Se-Woong; Müller, Hermann; Hogan, Neville

    2010-01-01

    Analysis of motor performance variability in tasks with redundancy affords insight about synergies underlying central nervous system (CNS) control. Preferential distribution of variability in ways that minimally affect task performance suggests sophisticated neural control. Unfortunately, in the analysis of variability the choice of coordinates used to represent multi-dimensional data may profoundly affect analysis, introducing an arbitrariness which compromises its conclusions. This paper assesses the influence of coordinates. Methods based on analyzing a covariance matrix are fundamentally dependent on an investigator's choices. Two reasons are identified: using anisotropy of a covariance matrix as evidence of preferential distribution of variability; and using orthogonality to quantify relevance of variability to task performance. Both are exquisitely sensitive to coordinates. Unless coordinates are known a priori, these methods do not support unambiguous inferences about CNS control. An alternative method uses a two-level approach where variability in task execution (expressed in one coordinate frame) is mapped by a function to its result (expressed in another coordinate frame). An analysis of variability in execution using this function to quantify performance at the level of results offers substantially less sensitivity to coordinates than analysis of a covariance matrix of execution variables. This is an initial step towards developing coordinate-invariant analysis methods for movement neuroscience. PMID:20421930

  9. Aging, Attention, and Bimanual Coordination.

    ERIC Educational Resources Information Center

    Lee, Timothy D.; Wishart, Laurie R.; Murdoch, Jason E.

    2002-01-01

    Bimanual coordination was tested at two metronome speeds with simultaneous performance of an attention-demanding task by 12 younger (20-22) and 12 older (65-74) adults. At the lower frequency, coordination patterns seemed automatic and impervious to aging. At the higher frequency, older adults sacrificed movement frequency in order to maintain…

  10. Coordinating Information for Texas Educators.

    ERIC Educational Resources Information Center

    Mancill, James T.

    "Coordinating Information for Texas Educators" (CITE) is a project of the Texas Education Agency designed to develop and coordinate a comprehensive communication program for elementary and secondary schools and to include an adequate resource base and linkage system. Project CITE was designed by Region XIX Education Service Center to…

  11. Drift Hamiltonian in magnetic coordinates

    SciTech Connect

    White, R.B.; Boozer, A.H.; Hay, R.

    1982-02-01

    A Hamiltonian formulation of the guiding-center drift in arbitrary, steady state, magnetic and electric fields is given. The canonical variables of this formulation are simply related to the magnetic coordinates. The modifications required to treat ergodic magnetic fields using magnetic coordinates are explicitly given in the Hamiltonian formulation.

  12. The K-12 Technology Coordinator

    ERIC Educational Resources Information Center

    Lesisko, Lee James

    2005-01-01

    The Pennsylvania Department of Education requires Technology Coordinators employed by public school districts in the Commonwealth to be properly certified. The Technology Coordinator is responsible to implement instructional technology for the district, provide leadership in the use of technological delivery systems, and routinely work directly…

  13. Fuzzy coordinator in control problems

    NASA Technical Reports Server (NTRS)

    Rueda, A.; Pedrycz, W.

    1992-01-01

    In this paper a hierarchical control structure using a fuzzy system for coordination of the control actions is studied. The architecture involves two levels of control: a coordination level and an execution level. Numerical experiments will be utilized to illustrate the behavior of the controller when it is applied to a nonlinear plant.

  14. Coordination challenges for autonomous spacecraft

    NASA Technical Reports Server (NTRS)

    Clement, B. J.; Barrett, A.

    2002-01-01

    While past flight projects involved a single spacecraft in isolation, over forty proposed future missions involve multiple coordinated spacecraft. This paper presents characteristics of such missions in terms of properties of the phenomena being measured as well as the rationale for using multiple spacecraft. We describe the coordination problems associated with operating these missions and identify needed technologies.

  15. Archimedes' principle in general coordinates

    NASA Astrophysics Data System (ADS)

    Ridgely, Charles T.

    2010-05-01

    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 applied in Schwarzschild coordinates and in rotating coordinates. Using Schwarzschild coordinates for the case of a spherical mass suspended within a perfect fluid leads to the familiar expression of Archimedes' principle. Using rotating coordinates produces an expression for a centrifugal buoyancy force that agrees with accepted theory. It is then argued that Archimedes' principle ought to be applicable to non-gravitational phenomena, as well. Conservation of the energy-momentum tensor is then applied to electromagnetic phenomena. It is shown that a charged body submerged in a charged medium experiences a buoyancy force in accordance with an electromagnetic analogue of Archimedes' principle.

  16. The reactivity of 1,1-dialkoxyalkanes with niobium and tantalum pentahalides. Formation of coordination compounds, C-H and C-C bond activation and the X-ray structure of the stable carboxonium species [Me(2)C=CHC(=OMe)Me][NbCl(5)(OMe)].

    PubMed

    Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano

    2009-10-14

    The reactions of the pentahalides NbX5 (X = Cl, Br) with the 1,1-dialkoxyalkanes CHR'(OEt)2 or 1,3-dioxolane yield the coordination adducts NbX5[kappa1-(OEt)CHR'(OEt)] (X = Cl, R' = H, 2a; X = Br, R' = H, 2b; X = Cl, R' = Me, 2c; X = Br, R' = Me, 2d) or NbCl5(kappa1-right angle OCH2OCH2C right angle H2), 3, respectively. Compounds 2a-c and 3 are stable at room temperature, while 2d slowly converts into the alkoxide NbBr4[OCH(Me)OEt], 4. Room-temperature fragmentations are observed upon reacting CH2(OMe)2, CHMe(OMe)2 and CMe2(OMe)2 with MX5 (M = Nb, Ta; X = Cl, Br). The complexes MX5[O(Me)(CH2X)], 5, and [MX3(OMe)2]2, 6, form selectively from MX5/CH2(OMe)2 (M = Nb, Ta; X = Cl, Br), while mixtures of [NbX4(OMe)]2 (X = Cl, 8a; X = Br, 8b) and organic halides are obtained from NbX5/CHMe(OMe)2. Instead, the reaction of NbCl5 with CMe2(OMe)2 affords the stable carboxonium species [Me2C=CHC(=OMe)Me][NbCl5(OMe)], 7, as prevalent product. Furthermore, 1,1-dialkoxyalkanes are generally activated by MF5 (M = Nb, Ta) at room temperature: according to the cases, alcohols, ethers, esters and ketones have been detected in the reaction mixtures after hydrolysis. In agreement with NMR data, the carboxonium ion [Me2C=CHC(=OMe)Me]+ is produced from NbF5/CMe2(OMe)2. The complexes NbF5[OEt(Me)], 9a, and NbF5[O=CH(OEt)], 9b, obtained by addition of CH2(OEt)2 to NbF5, have been characterised by NMR spectroscopy. Trimethyl formate, CH(OMe)3, reacts with NbX5 (X = Cl, Br) with formation of the alkoxides 6 and 8, in admixture with NbX5[O=CH(OMe)] and MeX; otherwise, MF5[O=CH(OMe)] and MF5(OMe2) have been synthesised from MF5/CH(OMe)3 (M = Nb, Ta). Complete screening of the organic fragments produced in the distinct reactions has been carried out by both GC-MS and NMR analyses on the reaction mixtures, after treatment with water. The solid state structures of the mixed halo-alkoxy complexes [TaX3(OMe)(mu-OMe)]2 (X = Cl, 6c; X = Br, 6d) and of the stable alkylated ketone containing species 7

  17. Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid

    NASA Astrophysics Data System (ADS)

    Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.

    2011-07-01

    Dicarboxylate coordination polymers ( 1- 5) of Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II), respectively, derived from (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid ( L1H2) are synthesized and characterized. Depending on the coordination sites around the metal centers and coordination mode of the ligand, dimensionality of these polymers varies. The dicarboxylates adopt three spatial orientations: in-plane linear coordination, out-of-plane cis coordination and out-of-plane trans coordination mode. Both the cis and trans out-of-plane coordination modes are found to exist only if the ancillary ligand pyridine is coordinated to the metal ion. When the aquoligand coordinates the in-plane linear coordination mode of L1 predominates. The coordination polymers 4 and 5 show photoluminescence in solution. The dicarboxylate of (5-carboxymethoxy-naphthalen-1-yloxy)-acetic acid ( L2H2) does not form coordination polymer under ambient conditions, but prefers to remain as uncoordinated anion providing hydrophobic confinement to hexa-aquometal(II) cation. Compound 3 crystallizes in P2 1 space group and it shows broadband ultra-violet fluorescence centered at 352.9 nm on focusing 632.8 nm He:Ne laser.

  18. Keep meaning in conversational coordination

    PubMed Central

    Cuffari, Elena C.

    2014-01-01

    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. PMID:25520693

  19. Design of chemical space networks incorporating compound distance relationships

    PubMed Central

    de la Vega de León, Antonio; Bajorath, Jürgen

    2016-01-01

    Networks, in which nodes represent compounds and edges pairwise similarity relationships, are used as coordinate-free representations of chemical space. So-called chemical space networks (CSNs) provide intuitive access to structural relationships within compound data sets and can be annotated with activity information. However, in such similarity-based networks, distances between compounds are typically determined for layout purposes and clarity and have no chemical meaning. By contrast, inter-compound distances as a measure of dissimilarity can be directly obtained from coordinate-based representations of chemical space. Herein, we introduce a CSN variant that incorporates compound distance relationships and thus further increases the information content of compound networks. The design was facilitated by adapting the Kamada-Kawai algorithm. Kamada-Kawai networks are the first CSNs that are based on numerical similarity measures, but do not depend on chosen similarity threshold values. PMID:28184279

  20. Design of chemical space networks incorporating compound distance relationships.

    PubMed

    de la Vega de León, Antonio; Bajorath, Jürgen

    2016-01-01

    Networks, in which nodes represent compounds and edges pairwise similarity relationships, are used as coordinate-free representations of chemical space. So-called chemical space networks (CSNs) provide intuitive access to structural relationships within compound data sets and can be annotated with activity information. However, in such similarity-based networks, distances between compounds are typically determined for layout purposes and clarity and have no chemical meaning. By contrast, inter-compound distances as a measure of dissimilarity can be directly obtained from coordinate-based representations of chemical space. Herein, we introduce a CSN variant that incorporates compound distance relationships and thus further increases the information content of compound networks. The design was facilitated by adapting the Kamada-Kawai algorithm. Kamada-Kawai networks are the first CSNs that are based on numerical similarity measures, but do not depend on chosen similarity threshold values.

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

    ERIC Educational Resources Information Center

    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)

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

    ERIC Educational Resources Information Center

    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)

  3. Markov Tracking for Agent Coordination

    NASA Technical Reports Server (NTRS)

    Washington, Richard; Lau, Sonie (Technical Monitor)

    1998-01-01

    Partially observable Markov decision processes (POMDPs) axe an attractive representation for representing agent behavior, since they capture uncertainty in both the agent's state and its actions. However, finding an optimal policy for POMDPs in general is computationally difficult. In this paper we present Markov Tracking, a restricted problem of coordinating actions with an agent or process represented as a POMDP Because the actions coordinate with the agent rather than influence its behavior, the optimal solution to this problem can be computed locally and quickly. We also demonstrate the use of the technique on sequential POMDPs, which can be used to model a behavior that follows a linear, acyclic trajectory through a series of states. By imposing a "windowing" restriction that restricts the number of possible alternatives considered at any moment to a fixed size, a coordinating action can be calculated in constant time, making this amenable to coordination with complex agents.

  4. Coordinated Control Of Mobile Robotic Manipulators

    NASA Technical Reports Server (NTRS)

    Seraji, Homayoun

    1995-01-01

    Computationally efficient scheme developed for on-line coordinated control of both manipulation and mobility of robots that include manipulator arms mounted on mobile bases. Applicable to variety of mobile robotic manipulators, including robots that move along tracks (typically, painting and welding robots), robots mounted on gantries and capable of moving in all three dimensions, wheeled robots, and compound robots (consisting of robots mounted on other robots). Theoretical basis discussed in several prior articles in NASA Tech Briefs, including "Increasing the Dexterity of Redundant Robots" (NPO-17801), "Redundant Robot Can Avoid Obstacles" (NPO-17852), "Configuration-Control Scheme Copes With Singularities" (NPO-18556), "More Uses for Configuration Control of Robots" (NPO-18607/NPO-18608).

  5. Temporal coordination between performing musicians.

    PubMed

    Loehr, Janeen D; Palmer, Caroline

    2011-11-01

    Many common behaviours require people to coordinate the timing of their actions with the timing of others' actions. We examined whether representations of musicians' actions are activated in coperformers with whom they must coordinate their actions in time and whether coperformers simulate each other's actions using their own motor systems during temporal coordination. Pianists performed right-hand melodies along with simple or complex left-hand accompaniments produced by themselves or by another pianist. Individual performers' preferred performance rates were measured in solo performance of the right-hand melody. The complexity of the left-hand accompaniment influenced the temporal grouping structure of the right-hand melody in the same way when it was performed by the self or by the duet partner, providing some support for the action corepresentation hypothesis. In contrast, accompaniment complexity had little influence on temporal coordination measures (asynchronies and cross-correlations between parts). Temporal coordination measures were influenced by a priori similarities between partners' preferred rates; partners who had similar preferred rates in solo performance were better synchronized and showed mutual adaptation to each other's timing during duet performances. These findings extend previous findings of action corepresentation and action simulation to a task that requires precise temporal coordination of independent yet simultaneous actions.

  6. 78 FR 34035 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    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,...

  7. 78 FR 44519 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    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...

  8. Surprising Coordination for Plutonium in the First Plutonium (III) Borate

    SciTech Connect

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

    2011-02-22

    The first plutonium(III) borate, Pu2[B12O18(OH)4Br2(H2O)3]·0.5H2O, 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.

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

    PubMed

    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.

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

    PubMed

    Heed, Tobias; Röder, Brigitte

    2014-07-01

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

  11. Coordination Architectures of energetic Cd (II) coordination polymers constructed by the bifunctional substituted-tetrazole-carboxylate ligands

    NASA Astrophysics Data System (ADS)

    Shen, Lei; Bai, Yu; Min, Yu-Ting; Jia, Tian-Tian; Wu, Qi; Wang, Jing; Geng, Fei; Cheng, Hong-Jian; Zhu, Dun-Ru; Yang, Jie; Yang, Gao-Wen

    2016-12-01

    Three different tetrazole-carboxylate ligands, monotetrazole-carboxylate H2tza (H2tza=1,5-tetrazole-diacetic acid), Hpztza (Hpztza=5-(2-pyrazinyl)tetrazole-2(1-methyl)acetic acid), ditetrazole-carboxylate H2tzpha (H2tzpha=1,3-di(tetrazole-5-yl)benzene-N2,N2‧-diacetic acid) have been chosen to react with CdCl2·6H2O, resulting in the formation of three new compounds [Cd2(tza)2] (1), [Cd(pztza)2] (2) and [Cd(tzpha)(CH3OH)2] (3). The coordinate sites of the three ligands are major influenced by the different substituted group of tetrazole ring. These compounds have been characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 displays a complex 3D structure; compound 2 shows a 3D network and compound 3 features a 2D layer network. Furthermore, the luminescence properties investigated at room temperature in the solid state showed excellent ligand-centered luminescence. The obvious enhancement in luminescence makes these compounds potential materials for optical use. The differential scanning calorimetry (DSC) and thermogravimetric-differential thermogravimetric (TG-DTG) analyses were applied to evaluate the thermal decomposition behavior of such compounds, showing that compounds 2 and 3 can be used as potential energetic materials. The relevant thermodynamic parameters ΔH, ΔS and ΔG were calculated as well.

  12. Mechanisms of coordination in distributed neural circuits: encoding coordinating information.

    PubMed

    Smarandache-Wellmann, Carmen; Grätsch, Swantje

    2014-04-16

    We describe synaptic connections through which information essential for encoding efference copies reaches two coordinating neurons in each of the microcircuits that controls limbs on abdominal segments of the crayfish, Pacifastacus leniusculus. In each microcircuit, these coordinating neurons fire bursts of spikes simultaneously with motor neurons. These bursts encode timing, duration, and strength of each motor burst. Using paired microelectrode recordings, we demonstrate that one class of nonspiking neurons in each microcircuit's pattern-generating kernel--IPS--directly inhibits the ASCE coordinating neuron that copies each burst in power-stroke (PS) motor neurons. This inhibitory synapse parallels IPS's inhibition of the same PS motor neurons. Using a disynaptic pathway to control its membrane potential, we demonstrate that a second type of nonspiking interneuron in the pattern-generating kernel--IRSh--inhibits the DSC coordinating neuron that copies each burst in return-stroke (RS) motor neurons. This inhibitory synapse parallels IRS's inhibition of the microcircuit's RS motor neurons. Experimental changes in the membrane potential of one IPS or one IRSh neuron simultaneously changed the strengths of motor bursts, durations, numbers of spikes, and spike frequency in the simultaneous ASCE and DSC bursts. ASCE and DSC coordinating neurons link the segmentally distributed microcircuits into a coordinated system that oscillates with the same period and with stable phase differences. The inhibitory synapses from different pattern-generating neurons that parallel their inhibition of different sets of motor neurons enable ASCE and DSC to encode details of each oscillation that are necessary for stable, adaptive synchronization of the system.

  13. Antibacterial activity of silver camphorimine coordination polymers.

    PubMed

    Cardoso, João M S; Galvão, Adelino M; Guerreiro, Soraia I; Leitão, Jorge H; Suarez, Ana C; Carvalho, M Fernanda N N

    2016-04-28

    Five new silver camphorimine complexes of general formula [Ag(NO3)(Y)L] were synthesized and fully characterized using spectroscopic and analytical techniques. The structure of [Ag(NO3)(OC10H14NC6H4NC10H14O)] () was analyzed using single crystal X-ray diffraction, showing that it arranges as a coordination polymer formed by sequential Ag(NO3) units bridged by the bi-camphor ligand (). The antimicrobial properties of the new complexes were screened using the disk diffusion method and their Minimal Inhibitory Concentrations (MIC) were assessed against selected bacterial strains of the Gram-positive Staphylococcus aureus and the Gram-negative Escherichia coli, Pseudomonas aeruginosa, and Burkholderia contaminans. The lowest MICs were observed for , with estimated values of 72, 20, 32 and 19 μg mL(-1) for S. aureus, E. coli, B. contaminans, and P. aeruginosa, respectively. In the case of S. aureus, similar MIC values were obtained for silver nitrate and compound . All five compounds were bactericidal when used in concentrations equal or above the MIC value, as found by enumerating the total colony forming units (CFUs) after incubation in their presence.

  14. Molybdenum compounds in organic synthesis

    NASA Astrophysics Data System (ADS)

    Khusnutdinov, R. I.; Oshnyakova, T. M.; Dzhemilev, U. M.

    2017-02-01

    The review presents the first analysis and systematic discussion of data published in the last 35–40 years on the use of molybdenum compounds and complexes in organic synthesis and catalysis of various ion coordination and radical reactions. Detailed account is given of the key trends in the use of molybdenum complexes as catalysts of alkene epoxidation and oxyketonation, oxidation of sulfur, nitrogen and phosphorus compounds, hydrosilylation of 1,3-dienes, ketones and aldehydes, hydrostannylation of acetylenes and hydrogermylation of norbornadienes. Considerable attention is paid to the description of new reactions and in situ generation of highly reactive hypohalites, ROX and HOX, induced by molybdenum complexes and the use of hypohalites in oxidative transformations. Data on the application of molybdenum complexes in well-known reactions are discussed, including Kharasch and Pauson–Khand reactions, allylic alkylation of C-nucleophiles, aminocarbonylation of halo derivatives and oligomerization of cyclic dienes, trienes, alkynes and 1,3-dienes. The last Section of the review considers 'unusual' organic reactions involving molybdenum compounds and complexes. The bibliography includes 257 references.

  15. Ordered bimetallic coordination networks featuring rare earth and silver cations.

    PubMed

    Merkens, Carina; Englert, Ulli

    2012-04-21

    Three lanthanide complexes of the ditopic ligand 3-cyanopentane-2,4-dionate (acacCN) have been synthesized and structurally characterized. Longer intermolecular contacts result in ninefold coordination of the cation in Ce(acacCN)(3)(H(2)O)(2), whereas mononuclear complexes of the same stoichiometry with coordination number eight are obtained for the smaller Eu(III) and Yb(III) cations. Reaction of these labile compounds with AgPF(6) leads to re-organization of the coordination sphere of the rare earth cations: neutral extended structures are formed in which the peripheric -CN moieties of Ln(acacCN)(4) anions coordinate to silver cations. The initially formed heterometallic networks show additional coordination of water or inclusion of solvent molecules; three different structure types, two of them as isomorphous pairs, have been characterized. In the case of Eu(III) and Yb(III), these solids are instable when stored in their mother liquor and undergo a slow aging process, finally resulting in phase pure stable and solvent-free 3D networks Ln(acacCN)(4)Ag.

  16. Features in Continuous Parallel Coordinates.

    PubMed

    Lehmann, Dirk J; Theisel, Holger

    2011-12-01

    Continuous Parallel Coordinates (CPC) are a contemporary visualization technique in order to combine several scalar fields, given over a common domain. They facilitate a continuous view for parallel coordinates by considering a smooth scalar field instead of a finite number of straight lines. We show that there are feature curves in CPC which appear to be the dominant structures of a CPC. We present methods to extract and classify them and demonstrate their usefulness to enhance the visualization of CPCs. In particular, we show that these feature curves are related to discontinuities in Continuous Scatterplots (CSP). We show this by exploiting a curve-curve duality between parallel and Cartesian coordinates, which is a generalization of the well-known point-line duality. Furthermore, we illustrate the theoretical considerations. Concluding, we discuss relations and aspects of the CPC's/CSP's features concerning the data analysis.

  17. Kinetic assembly of coordination networks.

    PubMed

    Ohtsu, Hiroyoshi; Kawano, Masaki

    2017-08-03

    Kinetic assembly is an important method for obtaining desired materials in chemical synthesis and materials science. We highlight the kinetic assembly of porous coordination networks, which promote the production of interactive pore sites. The interactive pore sites can activate or stabilize guest molecules. The properties of interactive pores are typified by iodine chemisorption and small sulfur encapsulation. Using interactive pores, we trapped small sulfur allotropes, such as S2, cyclo-S3, bent-S3, and S6, demonstrating the importance of interactive pore sites. Here, we address the important aspects of interactive pore sites created by kinetic assembly of porous coordination networks.

  18. COCO: Conversion of Celestial Coordinates

    NASA Astrophysics Data System (ADS)

    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).

  19. Recent research on care coordination.

    PubMed

    Rocks, Donna; Cooper-Audain, Elizer

    2015-02-01

    Patients with multiple chronic conditions have been shown to have significant Medicare expenditures. Care coordination programs have been implemented targeting this population by organizations striving to achieve the triple aim of (a) improving healthcare quality, (b) improving the patient experience, and (c) reducing costs. Outcomes of these programs have been mixed. This research brief profiles four published articles that address different aspects of care coordination. Readers are encouraged to access the full articles to learn more details about the intervention strategies and findings described in these articles.

  20. 47 CFR 74.638 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 4 2011-10-01 2011-10-01 false Frequency coordination. 74.638 Section 74.638... Stations § 74.638 Frequency coordination. (a) Coordination of all frequency assignments for fixed stations... parties agree. Coordination of all frequency assignments for all mobile (temporary fixed) stations in all...

  1. 47 CFR 95.1225 - Frequency coordinator.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Frequency coordinator. 95.1225 Section 95.1225... SERVICES Medical Device Radiocommunication Service (MedRadio) § 95.1225 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the operation of medical body area networks in...

  2. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordinator. 95.1113 Section 95.1113... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands...

  3. 47 CFR 74.638 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 4 2014-10-01 2014-10-01 false Frequency coordination. 74.638 Section 74.638... Stations § 74.638 Frequency coordination. (a) Coordination of all frequency assignments for fixed stations... parties agree. Coordination of all frequency assignments for all mobile (temporary fixed) stations in all...

  4. 47 CFR 95.1225 - Frequency coordinator.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Frequency coordinator. 95.1225 Section 95.1225... SERVICES Medical Device Radiocommunication Service (MedRadio) § 95.1225 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the operation of medical body area networks in...

  5. 47 CFR 74.638 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Frequency coordination. 74.638 Section 74.638... Stations § 74.638 Frequency coordination. (a) Coordination of all frequency assignments for fixed stations... parties agree. Coordination of all frequency assignments for all mobile (temporary fixed) stations in all...

  6. 47 CFR 95.1225 - Frequency coordinator.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Frequency coordinator. 95.1225 Section 95.1225... SERVICES Medical Device Radiocommunication Service (MedRadio) § 95.1225 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the operation of medical body area networks in...

  7. 47 CFR 74.638 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 4 2012-10-01 2012-10-01 false Frequency coordination. 74.638 Section 74.638... Stations § 74.638 Frequency coordination. (a) Coordination of all frequency assignments for fixed stations... parties agree. Coordination of all frequency assignments for all mobile (temporary fixed) stations in all...

  8. 47 CFR 78.36 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 4 2012-10-01 2012-10-01 false Frequency coordination. 78.36 Section 78.36... SERVICE Applications and Licenses § 78.36 Frequency coordination. (a) Coordination of all frequency... less than 30 days if the parties agree. Coordination of all frequency assignments for all mobile...

  9. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Frequency coordinator. 95.1113 Section 95.1113... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands...

  10. 47 CFR 74.638 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 4 2013-10-01 2013-10-01 false Frequency coordination. 74.638 Section 74.638... Stations § 74.638 Frequency coordination. (a) Coordination of all frequency assignments for fixed stations... parties agree. Coordination of all frequency assignments for all mobile (temporary fixed) stations in all...

  11. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Frequency coordinator. 95.1113 Section 95.1113... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands...

  12. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Frequency coordinator. 95.1113 Section 95.1113... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands...

  13. 47 CFR 95.1113 - Frequency coordinator.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Frequency coordinator. 95.1113 Section 95.1113... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands...

  14. Coordinated adaptive filters for motion simulators.

    NASA Technical Reports Server (NTRS)

    Parrish, R. V.; Dieudonne, J. E.; Bowles, R. L.; Martin, D. J.

    1973-01-01

    A new approach to providing motion drive signals to a flight simulator utilizing coordinated adaptive filters is presented. Some motivation for the use of coordinated washout is discussed, along with conditions that determine the burden of coordination. The coordinated adaptive filters are derived, based on continuous steepest descent, and the application of the filters to simulated flight data is demonstrated.

  15. 29 CFR 42.8 - Coordination plan.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 29 Labor 1 2014-07-01 2013-07-01 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...

  16. The Convex Coordinates of the Symmedian Point

    ERIC Educational Resources Information Center

    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…

  17. 40 CFR 109.6 - Coordination.

    Code of Federal Regulations, 2010 CFR

    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 Contingency...

  18. 47 CFR 15.525 - Coordination requirements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false Coordination requirements. 15.525 Section 15... Operation § 15.525 Coordination requirements. (a) UWB imaging systems require coordination through the FCC... resulting from this coordination. (b) The users of UWB imaging devices shall supply operational areas to the...

  19. 29 CFR 42.8 - Coordination plan.

    Code of Federal Regulations, 2010 CFR

    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...

  20. Terrestrial Coordinate Systems and Frames

    NASA Astrophysics Data System (ADS)

    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 ...

  1. Co-ordinated Classroom Lectures.

    ERIC Educational Resources Information Center

    Harmon, Darell Boyd

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

  2. Cooperative Education. Instructor Coordinator's Manual.

    ERIC Educational Resources Information Center

    Farrow, Shirley

    Designed to provide an introduction to North Lake College's (NLC's) Cooperative Education Program, this manual contains information for the instructor/coordinator regarding the Dallas County Community College District's co-op policies and NLC's operational procedures and forms. First, section 1 defines cooperative education, states NLC's…

  3. [Coordination in oncology, pivot nurses].

    PubMed

    Feld, Dominique

    2016-06-01

    The function of the pivot nurse was created when the Cancer Plans were first introduced to improve patient management and has constantly developed since then. It is an essential role for the coordination of care and the different players involved along the patient's care pathway.

  4. C[squared] = Creative Coordinates

    ERIC Educational Resources Information Center

    McHugh, Shelley R.

    2007-01-01

    "C[squared] = Creative Coordinates" is an engaging group of tasks that fosters the integration of mathematics and art to create meaningful understanding. The project lets students illustrate of find an image, then plot points to map their design on a grid. The project usually takes about a week to complete. When it is finished, students who are…

  5. The Coordination of Unlike Categories.

    ERIC Educational Resources Information Center

    Bayer, Samuel

    1996-01-01

    Argues that the account of coordination of unlike categories ought to be unified with the account of feature neutralization under phonological identity. Further argues that this unified account ought not be couched in terms of string of features, but rather in terms of the logic of categories. Study concludes with a discussion of the interactions…

  6. The Coordination of Unlike Categories.

    ERIC Educational Resources Information Center

    Bayer, Samuel

    1996-01-01

    Argues that the account of coordination of unlike categories ought to be unified with the account of feature neutralization under phonological identity. Further argues that this unified account ought not be couched in terms of string of features, but rather in terms of the logic of categories. Study concludes with a discussion of the interactions…

  7. Archimedes' Principle in General Coordinates

    ERIC Educational Resources Information Center

    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…

  8. Coordinated Home Care Training Manual.

    ERIC Educational Resources Information Center

    Michigan Univ., Ann Arbor. Home Care Training Center.

    This manual is intended as a source of information and assistance in the planning, organization, implementation, and evaluation of home care programs. There are ten major sections: (1) Introduction (review of the history of home care and definition of pertinent terms), (2) Program Planning, (3) Organizational Structure, (4) Coordination and…

  9. Archimedes' Principle in General Coordinates

    ERIC Educational Resources Information Center

    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…

  10. Stable silaimines with three- and four-coordinate silicon atoms.

    PubMed

    Samuel, Prinson P; Azhakar, Ramachandran; Ghadwal, Rajendra S; Sen, Sakya S; Roesky, Herbert W; Granitzka, Markus; Matussek, Julia; Herbst-Irmer, Regine; Stalke, Dietmar

    2012-10-15

    The reactions of silylenes with organic azides are quite diverse, depending on the substituents of the silylene center and on the nature of the azide employed. Elusive silaimine with three-coordinate silicon atom L(1)SiN(2,6-Triip(2)-C(6)H(3)) (5) {L(1) = CH[(C═CH(2))(CMe)(2,6-iPr(2)C(6)H(3)N)(2)] and Triip = 2,4,6-triisopropylphenyl} was synthesized by treatment of the silylene L(1)Si (1) with a sterically demanding 2,6-bis(2,4,6-triisopropylphenyl)phenyl azide (2,6-Triip(2)C(6)H(3)N(3)). The reaction of Lewis base-stabilized dichlorosilylene L(2)SiCl(2) (2) {L(2) = 1,3-bis(2,6-iPr(2)C(6)H(3))imidazol-2-ylidene} with Ph(3)SiN(3) afforded four-coordinate silaimine L(2)(Cl(2))SiNSiPh(3) (6). Treatment of 2,6-Triip(2)C(6)H(3)N(3) with L(3)SiCl (3) (L(3) = PhC(NtBu)(2)) yielded silaimine L(3)(Cl)SiN(2,6-Triip(2)-C(6)H(3)) (7) possessing a four-coordinate silicon atom. The reactions of L(3)SiN(SiMe(3))(2) (4) with adamantyl and trimethylsilyl azide furnished silaimine compounds with a four-coordinate silicon atom L(3)(N(Ad)SiMe(3))SiN(SiMe(3)) (8) (Ad = adamantyl) and L(3)(N(SiMe(3))(2))SiN(SiMe(3)) (9). Compound 8 was formed by migration of one of the SiMe(3) groups. Compounds 5-9 are stable under inert atmosphere and were characterized by elemental analysis, NMR spectroscopy, and single-crystal X-ray studies.

  11. A coordination theory for intelligent machines

    NASA Technical Reports Server (NTRS)

    Wang, Fei-Yue; Saridis, George N.

    1990-01-01

    A formal model for the coordination level of intelligent machines is established. The framework of the coordination level investigated consists of one dispatcher and a number of coordinators. The model called coordination structure has been used to describe analytically the information structure and information flow for the coordination activities in the coordination level. Specifically, the coordination structure offers a formalism to (1) describe the task translation of the dispatcher and coordinators; (2) represent the individual process within the dispatcher and coordinators; (3) specify the cooperation and connection among the dispatcher and coordinators; (4) perform the process analysis and evaluation; and (5) provide a control and communication mechanism for the real-time monitor or simulation of the coordination process. A simple procedure for the task scheduling in the coordination structure is presented. The task translation is achieved by a stochastic learning algorithm. The learning process is measured with entropy and its convergence is guaranteed. Finally, a case study of the coordination structure with three coordinators and one dispatcher for a simple intelligent manipulator system illustrates the proposed model and the simulation of the task processes performed on the model verifies the soundness of the theory.

  12. A coordination theory for intelligent machines

    NASA Technical Reports Server (NTRS)

    Wang, Fei-Yue; Saridis, George N.

    1990-01-01

    A formal model for the coordination level of intelligent machines is established. The framework of the coordination level investigated consists of one dispatcher and a number of coordinators. The model called coordination structure has been used to describe analytically the information structure and information flow for the coordination activities in the coordination level. Specifically, the coordination structure offers a formalism to (1) describe the task translation of the dispatcher and coordinators; (2) represent the individual process within the dispatcher and coordinators; (3) specify the cooperation and connection among the dispatcher and coordinators; (4) perform the process analysis and evaluation; and (5) provide a control and communication mechanism for the real-time monitor or simulation of the coordination process. A simple procedure for the task scheduling in the coordination structure is presented. The task translation is achieved by a stochastic learning algorithm. The learning process is measured with entropy and its convergence is guaranteed. Finally, a case study of the coordination structure with three coordinators and one dispatcher for a simple intelligent manipulator system illustrates the proposed model and the simulation of the task processes performed on the model verifies the soundness of the theory.

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

    PubMed

    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.

  14. Coordinate Regulation of Antimycin and Candicidin Biosynthesis

    PubMed Central

    McLean, Thomas C.; Hoskisson, Paul A.

    2016-01-01

    ABSTRACT Streptomyces species produce an incredible array of high-value specialty chemicals and medicinal therapeutics. A single species typically harbors ~30 biosynthetic pathways, but only a few them are expressed in the laboratory; thus, poor understanding of how natural-product biosynthesis is regulated is a major bottleneck in drug discovery. Antimycins are a large family of anticancer compounds widely produced by Streptomyces species, and their regulation is atypical compared to that of most other natural products. Here we demonstrate that antimycin production by Streptomyces albus S4 is regulated by FscRI, a PAS-LuxR family cluster-situated regulator of the polyene antifungal agent candicidin. We report that heterologous production of antimycins by Streptomyces coelicolor is dependent on FscRI and show that FscRI activates the transcription of key biosynthetic genes. We also demonstrate through chromatin immunoprecipitation sequencing that FscRI regulation is direct, and we provide evidence that this regulation strategy is conserved and unique to short-form antimycin gene clusters. Our study provides direct in vivo evidence of the cross-regulation of disparate biosynthetic gene clusters specifying unrelated natural products and expands the paradigmatic understanding of the regulation of secondary metabolism. IMPORTANCE Natural products produced by members of the phylum Actinobacteria underpin many industrially and medically important compounds; however, the majority of the ~30 biosynthetic pathways harbored by an average species are not expressed in the laboratory. Understanding the diversity of regulatory strategies controlling the expression of these pathways is therefore critical if their biosynthetic potential is to be explored for new drug leads. Our findings reveal that the candicidin cluster-situated regulator FscRI coordinately controls the biosynthesis of both candicidin and antimycin, which is the first observation of cross-regulation of disparate

  15. Compounds affecting cholesterol absorption

    NASA Technical Reports Server (NTRS)

    Hua, Duy H. (Inventor); Koo, Sung I. (Inventor); Noh, Sang K. (Inventor)

    2004-01-01

    A class of novel compounds is described for use in affecting lymphatic absorption of cholesterol. Compounds of particular interest are defined by Formula I: ##STR1## or a pharmaceutically acceptable salt thereof.

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

    SciTech Connect

    Qin, Ling; Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang

    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.

  17. Coordinating Care: Shifts in Perspective.

    PubMed

    Linnenkamp, Rita; Drenkard, Karen

    2016-01-01

    Effective coordination of care has consistently been a challenge for clinicians, care providers, and systems of health care. The health care system is inherently fraught with unorganized and disparate parts including multiple points of entry. A review of the current issues and the leadership implications is explored in this article with an emphasis on patients becoming more actively engaged in managing their care journey across the continuum. A case study of a primary care clinic in Annapolis, Maryland, is described to illustrate the application of evidence-based leadership skills, knowledge, and a framework to transform health care to more effectively engage patients in their care. As the constant on the continuum of care, the engaged patient is in the unique position to manage coordination, thus ensuring continuity.

  18. [Transplant coordinator: organ donation process].

    PubMed

    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.

  19. Argumentation for coordinating shared activities

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Barrett, Anthony C.; Schaffer, Steven R.

    2004-01-01

    an increasing need for space missions to be able to collaboratively (and competitively) develop plans both within and across missions. In addition, interacting spacecraft that interleave onboard planning and execution must reach consensus on their commitments to each other prior to execution. In domains where missions have varying degrees of interaction and different constraints on communication and computation, the missions will require different coordination protocols in order to efficiently reach consensus with in their imposed deadlines. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities over the lifetimes of multiple agents and a foundation for customizing protocols for negotiating planner interactions. We investigate variations of a few simple protocols based on argumentation and distributed constraints satisfaction techniques and evaluate their abilities to reach consistent solutions according to computation, time, and communication costs in an abstract domain where spacecraft propose joint measurements.

  20. Coordination Dynamics in Cognitive Neuroscience

    PubMed Central

    Bressler, Steven L.; Kelso, J. A. Scott

    2016-01-01

    Many researchers and clinicians in cognitive neuroscience hold to a modular view of cognitive function in which the cerebral cortex operates by the activation of areas with circumscribed elementary cognitive functions. Yet an ongoing paradigm shift to a dynamic network perspective is underway. This new viewpoint treats cortical function as arising from the coordination dynamics within and between cortical regions. Cortical coordination dynamics arises due to the unidirectional influences imposed on a cortical area by inputs from other areas that project to it, combined with the projection reciprocity that characterizes cortical connectivity and gives rise to reentrant processing. As a result, cortical dynamics exhibits both segregative and integrative tendencies and gives rise to both cooperative and competitive relations within and between cortical areas that are hypothesized to underlie the emergence of cognition in brains. PMID:27695395

  1. Planning and coordinating pharmaceutical purchasing.

    PubMed

    Buchanan, E C

    1984-09-01

    The planning and coordination of the pharmaceutical purchasing process are discussed. Planning for pharmaceutical purchasing should begin with decisions regarding why a purchasing policy is needed, what the institution's purchasing policy will be, and what departments will be involved in purchasing. General goals of purchasing and procedures for revising purchasing functions are presented, and the role of the pharmacy department, materials management, and other hospital departments in purchasing is discussed. Coordinating input on purchasing decisions from medical staff, administration, and clinical and technical pharmacy personnel to achieve purchasing goals and objectives is discussed. A well-designed pharmaceutical purchasing system provides for planned and scheduled purchases, competitive bidding, product standardization, group purchasing, information sharing, internal accountability, and quality assurance.

  2. Communications indices of crew coordination

    NASA Technical Reports Server (NTRS)

    Kanki, Barbara G.; Foushee, H. Clayton; Lozito, Sandra

    1987-01-01

    Verbal exchanges occuring during task execution during full mission two-person simulator flights are used to study the effect of the interactive communication process on crew coordination and performance. The ratio of initiator to response speech is calculated and speech variations are recorded. The results of this study are compared with the findings of Ginnett's (1986) study of leaders. It is shown that low-error crews adopt a standard form of communicating, allowing for the ability to predict one another's behavior, facilitating the coordination process. The higher performance of crews that have flown together before is believed to be due to the increased amount of time for establishing a conventional means of communication.

  3. Argumentation for coordinating shared activities

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Barrett, Anthony C.; Schaffer, Steven R.

    2004-01-01

    an increasing need for space missions to be able to collaboratively (and competitively) develop plans both within and across missions. In addition, interacting spacecraft that interleave onboard planning and execution must reach consensus on their commitments to each other prior to execution. In domains where missions have varying degrees of interaction and different constraints on communication and computation, the missions will require different coordination protocols in order to efficiently reach consensus with in their imposed deadlines. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities over the lifetimes of multiple agents and a foundation for customizing protocols for negotiating planner interactions. We investigate variations of a few simple protocols based on argumentation and distributed constraints satisfaction techniques and evaluate their abilities to reach consistent solutions according to computation, time, and communication costs in an abstract domain where spacecraft propose joint measurements.

  4. Continual coordination through shared activities

    NASA Technical Reports Server (NTRS)

    Clement, Bradley J.; Barrett, Anthony C.

    2003-01-01

    Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. In domains where agents have varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently reach consensus in real time. We briefly describe a largely unexplored class of realtime, distributed planning problems (inspired by interacting spacecraft missions), new challenges they pose, and a general approach to solving the problems. These problems involve self-interested agents that have infrequent communication but collaborate on joint activities. We describe a Shared Activity Coordination (SHAC) framework that provides a decentralized algorithm for negotiating the scheduling of shared activities over the lifetimes of separate missions, a soft, real-time approach to reaching consensus during execution with limited communication, and a foundation for customizing protocols for negotiating planner interactions. We apply SHAC to a realistic simulation of interacting Mars missions and illustrate the simplicity of protocol development.

  5. Porphyrin coordination polymer nanospheres and nanorods

    DOEpatents

    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.

  6. Porphyrin coordination polymer nanospheres and nanorods

    SciTech Connect

    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.

  7. Coordinating Council. Fifth Meeting: Quality

    NASA Technical Reports Server (NTRS)

    1991-01-01

    This NASA Scientific and Technical Information Program Coordinating Council meeting had a theme of Quality. Four presentations were made with the following titles: How much quality can you pay for?, What the Center for AeroSpace Information has done to improve quality, Quality from the user standpoint, and Database quality: user views test producer perception. Visuals as well as discussion summaries are also included.

  8. U.S. CWMD Coordination

    DTIC Science & Technology

    2012-12-11

    Biosurveillance Strategy for 68 Human Health in conjunction with the CDC Office of Public Health Preparedness and Response (February 2010). This...Strategy’s goal is to coordinate enhanced nationwide biosurveillance for human health. The term biosurveillance is defined as “managing health-related data...be taken to mitigate adverse health effects” (National Biosurveillance Strategy 5). The practice of biosurveillance seeks to manage data across a

  9. Resolution enhancement in tilted coordinates

    NASA Astrophysics Data System (ADS)

    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

  10. Topological coordinates for deformed nanotubes

    NASA Astrophysics Data System (ADS)

    László, István; Rassat, André

    2003-10-01

    Starting from the topological arrangement of carbon atoms an algorithm is given for the construction of nanotube Cartesian coordinates. The final relaxed structures were obtained by a molecular mechanics calculation where the carbon-carbon interactions were supposed only between neighboring atoms of the initial tiling. In a given tiling we obtained toroidal or helical structures depending on the special position of the super cell parallelogram.

  11. Coordination strategies of crew management

    NASA Technical Reports Server (NTRS)

    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.

  12. Hydrosulfide (HS−) Coordination in Iron Porphyrinates

    PubMed Central

    Pavlik, Jeffrey W.; Noll, Bruce C.; Oliver, Allen G.; Schulz, Charles E.; Scheidt, W. Robert

    2010-01-01

    Recent reports of potential physiological roles of hydrogen sulfide have prompted interest in heme-sulfide interactions. Heme-H2S and/or heme-HS− interactions could potentially occur during endogenous production, transport, signaling events, and catabolism of H2S. We have investigated the interaction of the hydrosulfide ion (HS−) with iron porphyrinates. UV-vis spectral studies show the formation of [Fe(Por)(SH)]−, [Fe(Por)(SH)2]2−, and the mixed ligand species [Fe(Por)(Im)(SH)]−. UV-vis binding studies of [Fe(OEP)] and [Fe(Tp-OMePP)] (OEP = octaethylporphyrinate, Tp-OMePP = tetra-p-methoxyphenylporphyrinate) with HS− allowed for calculation of formation constants and extinction coefficients of the mono- and bis-HS− complexes. We report the synthesis of the first HS− bound iron(II) porphyrin compounds, [Na(222)][Fe(OEP)(SH)]·0.5C6H6 and [Na(222)][Fe(Tp-OMePP)(SH)]·C6H5Cl (222 = kryptofix-222). Characterization by single-crystal X-ray analysis, mass spectrometry, and Mössbauer and IR spectroscopy are all consistent with that of known sulfur-bound high-spin iron(II) compounds. The Fe–S distances of 2.3929(5) and 2.3887(13) Å are longer than all reported values of [FeII(Por)(SR)]− species. An analysis of porphyrin non-planarity for these derivatives and for all five-coordinate high-spin iron(II) porphyrinate derivatives with an axial anion ligand is presented. In our hands, attempts to synthesize iron(III) HS− derivatives led to iron(II) species. PMID:20038134

  13. Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid.

    PubMed

    Prasad, Thazhe Kootteri; Rajasekharan, M V

    2013-12-15

    Three three-dimensional coordination polymers, viz. poly[[diaqua-μ4-oxydiacetato-di-μ4-sulfato-dipraseodymium(III)] hemihydrate], [Pr2(C4H4O5)(SO4)2(H2O)2]·0.5H2O, (I), poly[[diaquadi-μ3-oxydiacetato-μ3-sulfato-dineodymium(III)] 1.32-hydrate], [Nd2(C4H4O5)2(SO4)(H2O)2]·1.32H2O, (II), and poly[[diaquadi-μ3-oxydiacetato-μ3-sulfato-disamarium(III)] 1.32-hydrate], [Sm2(C4H4O5)2(SO4)(H2O)2]·1.32H2O, (III), were obtained by hydrothermal reactions of the respective lanthanide oxides and ZnSO4 with oxydiacetic acid (odaH2). The Nd(3+) and Sm(3+) compounds form isomorphous crystal structures in which the lanthanide cations are nine-coordinate, having a tricapped trigonal prismatic coordination. The Pr(3+) compound has an entirely different crystal structure in which two types of coordination polyhedra are observed, viz. nine-coordinate (trigonal prism) and ten-coordinate (bicapped square antiprism). The sulfate anions show various coordination modes, one of which has only rarely been observed crystallographically to date.

  14. Applications of Differential Operators in Geodetic Coordinates

    NASA Astrophysics Data System (ADS)

    Hallam, K. A. T.; Oliveira, V. C., Jr.

    2016-12-01

    The definition of coordinate systems and frames is an essential step to even start a problem in physical geodesy and geophysics. The commonly used coordinate systems when dealing with problems on (or close to) the surface of the Earth are the geocentric Cartesian coordinates, geocentric spherical coordinates and geodetic coordinates. Transformations between Cartesian and spherical coordinates are widely known and used for several problems. More complex, but not less important, are the transformations between Cartesian and geodetic coordinates. Although most of them utilize an ellipsoidal frame in which the three coordinates are geodetic longitude (λ), geodetic latitude (φ) and the scale factor (u), the latter being a combination of X and Y, not the geometric height (h), the data sets measured on (or close to) the surface of the Earth are given in geodetic coordinates which are usually transformed into Cartesian or spherical coordinates for mathematical developments. It would be useful, however, to preclude coordinate transformations for the subsequent operations. Thus, we derived expressions for the gradient and Laplacian operators in geodetic coordinates in order to make further use on mathematical developments. Results obtained analitically and from numerical simulations validate our expressions. We applied our operators to derive the gravitational field produced by a point mass and used it for representing the regional gravity field in geodetic coordinates. The results obtained with the numerical simulations show that our approach is potentially useful in solving a wide range of problems in physical geodesy and geophysics.

  15. Molecular and crystal structures of noble gas compounds

    NASA Astrophysics Data System (ADS)

    Nabiev, Sh Sh; Sokolov (deceased, V. B.; Chaivanov, B. B.

    2014-12-01

    Data on the structures of xenon and krypton compounds in various physical states are analyzed and generalized. The structures of simple, coordination, polymeric and clathrate-like compounds of these elements with various types of bonds are considered. Characteristic features of their vibrational spectra are discussed in relation to structural transformations caused by cation-anion interactions, structurally non-rigid intramolecular rearrangements and other factors. The bibliography includes 332 references.

  16. Interchange between coordinated and lattice solvents generates the highest energy barrier within nine-coordinated Dy(III) single molecule magnets.

    PubMed

    Sun, Lin; Zhang, Sheng; Jiang, Zhijie; Yang, Qi; Chen, Sanping; Zhang, Yiquan; Wang, Wenyuan; Wei, Qing; Xie, Gang

    2017-08-29

    It is crucial to promote axiality to enhance easy-axis magnetic anisotropy. Two mononuclear Dy(III) compounds, in which each Dy(III) is nine-coordinated, namely, [(C12H10N5O)Dy(NO3)2(H2O)2]·C2H5OH (1) and [(C12H10N5O)Dy(NO3)2(C2H5OH)2]·H2O (2) (HL = N(3)-(2-pyridoyl)-4-pyridinecarboxamidrazone), have been prepared through controlling the amount of C2H5OH and H2O solvents. Geometry modulations were realized by interchanging coordinated and lattice solvents, thus achieving a structure closer to the configuration of a capped square antiprism for 2 compared to that for 1. Notably, magnetic studies revealed that compound 1 displays no slow relaxation of magnetization while compound 2 exhibits single-molecule magnet (SMM) behaviour in the absence of a static magnetic field, with the highest energy barrier (203.11 K) of nine-coordinated Dy(III) SMMs. Ab initio calculations were performed to elucidate such a distinct performance, demonstrating that the combination of the larger charge distribution along the magnetic axis and the lower charge distribution in the equatorial plane generates a strong easy-axis ligand field to enhance magnetic properties, which is further associated with the structural symmetry. In addition, a possible coordination mode is proposed to realize high axis anisotropy for nine-coordinated Dy(III) compounds. This work presents an effective method to modulate the dynamic magnetic relaxation of the Dy(III) SMMs through interchange between coordinated and lattice solvents.

  17. In situ hydrothermal synthesis of tetrazole coordination polymers with interesting physical properties.

    PubMed

    Zhao, Hong; Qu, Zhi-Rong; Ye, Heng-Yun; Xiong, Ren-Gen

    2008-01-01

    Tetrazole compounds have been studied for more than one hundred years and applied in various areas. Several years ago Sharpless and his co-workers reported an environmentally friendly process for the preparation of 5-substituted 1H-tetrazoles in water with zinc salt as catalysts. To reveal the exact role of the zinc salt in this reaction, a series of hydrothermal reactions aimed at trapping and characterizing the solid intermediates were investigated. This study allowed us to obtain a myriad interesting metal-organic coordination polymers that not only partially showed the role of the metal species in the synthesis of tetrazole compounds but also provided a class of complexes displaying interesting chemical and physical properties such as second harmonic generation (SHG), fluorescence, ferroelectric and dielectric behaviors. In this tutorial review, we will mainly focus on tetrazole coordination compounds synthesized by in situ hydrothermal methods. First, we will discuss the synthesis and crystal structures of these compounds. Their various properties will be mentioned and we will show the applications of tetrazole coordination compounds in organic synthesis. Finally, we will outline some expectations in this area of chemistry. The direct coordination chemistry of tetrazoles to metal ions and in situ synthesis of tetrazole through cycloaddition between organotin azide and organic cyano group will be not discussed in this review.

  18. Institution-Wide Coordination of Decentralized Computing.

    ERIC Educational Resources Information Center

    Alley, Lee; And Others

    1987-01-01

    The concept of distributed computing is discussed and reasons for coordinating decentralized computing at an institutional level are presented. Ten coordinative actions that an institution might decide upon are offered. (MLW)

  19. A Law...A Plan: Coordination Mandated.

    ERIC Educational Resources Information Center

    Lewis, Carol J.; Murphy, Joyce Young

    1981-01-01

    Educational legislation mandated that state education agencies submit plans for the coordination of federal and state funds for school staff development. State activities in planning, preparing, and coordinating programs are identified and discussed. (JN)

  20. 33 CFR 165.8 - Geographic coordinates.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 1983 (NAD 83), unless such geographic coordinates are expressly labeled NAD 83. Geographic coordinates without the NAD 83 reference may be plotted on maps or charts referenced to NAD 83 only after...

  1. 33 CFR 165.8 - Geographic coordinates.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 1983 (NAD 83), unless such geographic coordinates are expressly labeled NAD 83. Geographic coordinates without the NAD 83 reference may be plotted on maps or charts referenced to NAD 83 only after...

  2. 33 CFR 165.8 - Geographic coordinates.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 1983 (NAD 83), unless such geographic coordinates are expressly labeled NAD 83. Geographic coordinates without the NAD 83 reference may be plotted on maps or charts referenced to NAD 83 only after...

  3. Coordinated neuronal activity enhances corticocortical communication

    PubMed Central

    Zandvakili, Amin; Kohn, Adam

    2015-01-01

    Summary Relaying neural signals between cortical areas is central to cognition and sensory processing. The temporal coordination of activity in a source population has been suggested to determine corticocortical signaling efficacy, but others have argued that coordination is functionally irrelevant. We reasoned that if coordination significantly influenced signaling, spiking in downstream networks should be preceded by transiently elevated coordination in a source population. We developed a metric to quantify network coordination in brief epochs, and applied it to simultaneous recordings of neuronal populations in cortical areas V1 and V2 of the macaque monkey. Spiking in the input layers of V2 was preceded by brief epochs of elevated V1 coordination, but this was not the case in other layers of V2. Our results indicate that V1 coordination influences its signaling to direct downstream targets, but that coordinated V1 epochs do not propagate through multiple downstream networks as in some corticocortical signaling schemes. PMID:26291164

  4. Inhibitio of Flagellar Coordination in Spirillum volutans

    PubMed Central

    Krieg, Noel R.; Tomelty, Joseph P.; Wells, J. Scott

    1967-01-01

    The motility of Spirillum volutans is caused by the rotation of each polar flagellar fascicle in a direction opposite to that of the more slowly rotating cell. Both flagella form cones of revolution oriented in the same direction. When the cell reverses its motion, both fascicles simultaneously reverse their rotation and also the orientation of their cones of revolution, with the tail fascicle becoming the head and vice versa. Chloral hydrate and phenol were found to cause uncoordination, with both fascicles becoming the head type; MgSO4, Mg(NO3)2, NiSO4, NiCl2, CuSO4, and CuCl2 also caused uncoordination, with both fascicles becoming the tail type. In all cases, the flagellar fascicles remained highly active but the cells were motionless because of the opposing propulsion; the rotation of the fascicles was in a constant direction without reversal. Uncoordinated states could be maintained for 30 to 60 min. Neutralization of the dual-tail flagellation caused by NiSO4 could be accomplished with chloral hydrate. At the null point, the flagellar orientation was intermediate between head and tail; the fascicles continually reversed direction of rotation, and, now coordinated, caused the cells to move back and forth. Higher concentrations of chloral hydrate completely overcame the effect of NiSO4 and caused dual-head flagellation. Optimal concentrations of test compounds were determined with the use of pure cultures and a reproducible growth medium. Images PMID:6057800

  5. Situational awareness of a coordinated cyber attack

    NASA Astrophysics Data System (ADS)

    Sudit, Moises; Stotz, Adam; Holender, Michael

    2005-03-01

    As technology continues to advance, services and capabilities become computerized, and an ever increasing amount of business is conducted electronically the threat of cyber attacks gets compounded by the complexity of such attacks and the criticality of the information which must be secured. A new age of virtual warfare has dawned in which seconds can differentiate between the protection of vital information and/or services and a malicious attacker attaining their goal. In this paper we present a novel approach in the real-time detection of multistage coordinated cyber attacks and the promising initial testing results we have obtained. We introduce INFERD (INformation Fusion Engine for Real-time Decision-making), an adaptable information fusion engine which performs fusion at levels zero, one, and two to provide real-time situational assessment and its application to the cyber domain in the ECCARS (Event Correlation for Cyber Attack Recognition System) system. The advantages to our approach are fourfold: (1) The complexity of the attacks which we consider, (2) the level of abstraction in which the analyst interacts with the attack scenarios, (3) the speed at which the information fusion is presented and performed, and (4) our disregard for ad-hoc rules or a priori parameters.

  6. Coordinate systems for the space shuttle program

    NASA Technical Reports Server (NTRS)

    Davis, L. D.

    1974-01-01

    A minimal set of well defined coordinate systems necessary for the interchange of data within the space shuttle program is presented. The document format consists of four parts: (1) a list of the subscripts identifying the coordinate systems, (2) a glossary explaning the terms used within the coordinate system definitions, (3) figures defining, both graphically and verbally, each coordinate system, and (4) an appendix (published separately) showing the relationships (transformations) between similar systems.

  7. Dressed coordinates: The path-integral approach

    NASA Astrophysics Data System (ADS)

    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.

  8. Useful coordinate transformations for antenna applications

    NASA Technical Reports Server (NTRS)

    Rahmat-Samii, Y.

    1979-01-01

    General coordinate transformations which are commonly encountered in many antenna applications are presented. Neither the feed coordinates nor the far-field pattern coordinates in general coincide with the antenna coordinates. Transformations discussed allow one to relate the spherical and cartesian components of one system to the spherical and cartesian components of the other system. In particular, attempts are made to use unified notations to assist in a straightforward application of the transformations.

  9. Coordinate Reference System Metadata in Interdisciplinary Environmental Modeling

    NASA Astrophysics Data System (ADS)

    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.

  10. Pathways: Service Coordination Outreach Project. Final Report.

    ERIC Educational Resources Information Center

    Hecht, Elizabeth; Tuchman, Linda; Green, Meredith; Robbins, Sue; Rosin, Peggy; Schneider, Melanie; Duschak, Heidi

    This final report describes the activities and outcomes of a service coordination outreach project designed to assist states in meeting their urgent needs for qualified and appropriately trained personnel to carry out their new roles as service coordinators in the provision and coordination of early intervention services as stipulated in federal…

  11. 47 CFR 95.1111 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Frequency coordination. 95.1111 Section 95.1111... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1111 Frequency coordination. (a... devices must register all devices with a designated frequency coordinator. Except as specified in § 95...

  12. 47 CFR 95.1111 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Frequency coordination. 95.1111 Section 95.1111... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1111 Frequency coordination. (a... devices must register all devices with a designated frequency coordinator. Except as specified in § 95...

  13. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Frequency coordination. 80.513 Section 80.513... MARITIME SERVICES Private Coast Stations and Marine Utility Stations § 80.513 Frequency coordination. (a... frequency coordinating committee must be accompanied by: (1) A report based on a field study, indicating the...

  14. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordination. 80.513 Section 80.513... MARITIME SERVICES Private Coast Stations and Marine Utility Stations § 80.513 Frequency coordination. (a... frequency coordinating committee must be accompanied by: (1) A report based on a field study, indicating the...

  15. 47 CFR 95.1111 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Frequency coordination. 95.1111 Section 95.1111... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1111 Frequency coordination. (a... devices must register all devices with a designated frequency coordinator. Except as specified in § 95...

  16. 47 CFR 95.1111 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Frequency coordination. 95.1111 Section 95.1111... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1111 Frequency coordination. (a... devices must register all devices with a designated frequency coordinator. Except as specified in § 95...

  17. 47 CFR 95.1111 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Frequency coordination. 95.1111 Section 95.1111... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1111 Frequency coordination. (a... devices must register all devices with a designated frequency coordinator. Except as specified in § 95...

  18. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Frequency coordination. 80.513 Section 80.513... MARITIME SERVICES Private Coast Stations and Marine Utility Stations § 80.513 Frequency coordination. (a... frequency coordinating committee must be accompanied by: (1) A report based on a field study, indicating the...

  19. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Frequency coordination. 80.513 Section 80.513... MARITIME SERVICES Private Coast Stations and Marine Utility Stations § 80.513 Frequency coordination. (a... frequency coordinating committee must be accompanied by: (1) A report based on a field study, indicating the...

  20. Coordinated Displays to Assist Cyber Defenders

    DTIC Science & Technology

    2016-09-23

    databases . The current experiment examined whether analyst performance efficiency would be improved by coordinated displays, i.e., displays that...automatically link relevant information across databases . We found that coordinated displays nearly doubled performance efficiency, in contrast to the... databases . The current experiment examined whether analyst performance efficiency would be improved by coordinated displays, i.e., displays that

  1. 7 CFR 22.201 - Coordination.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... the Act between levels of field operations of the Federal government and State governments. ... 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)...

  2. 7 CFR 22.201 - Coordination.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... the Act between levels of field operations of the Federal government and State governments. ... 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)...

  3. 7 CFR 22.201 - Coordination.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... the Act between levels of field operations of the Federal government and State governments. ... 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)...

  4. 7 CFR 22.201 - Coordination.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... the Act between levels of field operations of the Federal government and State governments. ... 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)...

  5. 7 CFR 22.201 - Coordination.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... the Act between levels of field operations of the Federal government and State governments. ... 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)...

  6. Emission coordinates in Minkowski space-time

    SciTech Connect

    Coll, Bartolome; Ferrando, Joan J.; Morales, Juan A.

    2009-05-01

    The theory of relativistic positioning systems and their natural associated emission coordinates are essential ingredients in the analysis of navigation systems and astrometry. Here we study emission coordinates in Minkowski space-time. For any choice of the four emitters (arbitrary space-time trajectories) the relation between the corresponding emission coordinates and the inertial ones are explicitly given.

  7. 15 CFR 923.56 - Plan coordination.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 15 Commerce and Foreign Trade 3 2013-01-01 2013-01-01 false Plan coordination. 923.56 Section 923....56 Plan coordination. (a) The management program must be coordinated with local, areawide, and interstate plans applicable to areas within the coastal zone— (1) Existing on January 1 of the year in...

  8. 15 CFR 923.56 - Plan coordination.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 15 Commerce and Foreign Trade 3 2012-01-01 2012-01-01 false Plan coordination. 923.56 Section 923....56 Plan coordination. (a) The management program must be coordinated with local, areawide, and interstate plans applicable to areas within the coastal zone— (1) Existing on January 1 of the year in...

  9. 78 FR 73819 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-09

    ... Forest Service Forest Resource Coordinating Committee AGENCY: Forest Service, USDA. ACTION: Notice of meeting. SUMMARY: The Forest Resource Coordinating Committee will meet in Washington, DC, February 6 and 7... (Pub. L. 110-246). Additional information on the Forest Resource Coordinating Committee can be...

  10. Discrete radon transform with shift of coordinate

    SciTech Connect

    Wei, X.; Wu, L.

    1994-12-31

    This paper describes the Radon transform with shift of coordinates. The appropriate shift value of spatial coordinate gives less alias in the data reconstruction and the appropriate shift value of frequency coordinate makes the reconstruction stable. The method is suitable to signal processing of seismogram, an example of wave field separation to practical VSP data is shown in the paper.

  11. Grant Administration Manual for Title III Coordinators.

    ERIC Educational Resources Information Center

    Mathis, Emily Duncan; Ashmore, Frances W.

    Guidelines for coordinators of programs under Title III of the Higher Education Act of 1965 are presented, based on a national survey of Title III program coordinators. The responsibilities of the coordinator and information on administering the Strengthening Developing Institutions Program (SDIP) grant are covered. The program can either be a…

  12. 47 CFR 15.525 - Coordination requirements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 1 2011-10-01 2011-10-01 false Coordination requirements. 15.525 Section 15.525 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL RADIO FREQUENCY DEVICES Ultra-Wideband Operation § 15.525 Coordination requirements. (a) UWB imaging systems require coordination through the FCC...

  13. 47 CFR 15.525 - Coordination requirements.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 1 2014-10-01 2014-10-01 false Coordination requirements. 15.525 Section 15.525 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL RADIO FREQUENCY DEVICES Ultra-Wideband Operation § 15.525 Coordination requirements. (a) UWB imaging systems require coordination through the FCC...

  14. 47 CFR 15.525 - Coordination requirements.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 1 2013-10-01 2013-10-01 false Coordination requirements. 15.525 Section 15.525 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL RADIO FREQUENCY DEVICES Ultra-Wideband Operation § 15.525 Coordination requirements. (a) UWB imaging systems require coordination through the FCC...

  15. 49 CFR 214.325 - Train coordination.

    Code of Federal Regulations, 2010 CFR

    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...

  16. 45 CFR 1310.23 - Coordinated transportation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Coordinated transportation. 1310.23 Section 1310... START PROGRAM HEAD START TRANSPORTATION Special Requirements § 1310.23 Coordinated transportation. (a) Each agency providing transportation services must make reasonable efforts to coordinate transportation...

  17. 45 CFR 1310.23 - Coordinated transportation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

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

  18. Coordination in serial-parallel image processing

    NASA Astrophysics Data System (ADS)

    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.

  19. 47 CFR 78.36 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 4 2011-10-01 2011-10-01 false Frequency coordination. 78.36 Section 78.36 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) BROADCAST RADIO SERVICES CABLE TELEVISION RELAY SERVICE Applications and Licenses § 78.36 Frequency coordination. (a) Coordination of all...

  20. 47 CFR 78.36 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 4 2013-10-01 2013-10-01 false Frequency coordination. 78.36 Section 78.36 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) BROADCAST RADIO SERVICES CABLE TELEVISION RELAY SERVICE Applications and Licenses § 78.36 Frequency coordination. (a) Coordination of all...

  1. 47 CFR 78.36 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Frequency coordination. 78.36 Section 78.36 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) BROADCAST RADIO SERVICES CABLE TELEVISION RELAY SERVICE Applications and Licenses § 78.36 Frequency coordination. (a) Coordination of all...

  2. 47 CFR 78.36 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 4 2014-10-01 2014-10-01 false Frequency coordination. 78.36 Section 78.36 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) BROADCAST RADIO SERVICES CABLE TELEVISION RELAY SERVICE Applications and Licenses § 78.36 Frequency coordination. (a) Coordination of all...

  3. 47 CFR 27.903 - Coordination requirements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false Coordination requirements. 27.903 Section 27... MISCELLANEOUS WIRELESS COMMUNICATIONS SERVICES 1670-1675 MHz Band § 27.903 Coordination requirements. (a) The... this chapter; (2) That requires international coordination; (3) That operates in areas listed under...

  4. 47 CFR 27.803 - Coordination requirements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false Coordination requirements. 27.803 Section 27... MISCELLANEOUS WIRELESS COMMUNICATIONS SERVICES 1.4 GHz Band § 27.803 Coordination requirements. (a) Licensees in... this chapter; (2) That requires international coordination; (3) That operates in areas listed in part 1...

  5. 23 CFR 774.5 - Coordination.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 23 Highways 1 2010-04-01 2010-04-01 false Coordination. 774.5 Section 774.5 Highways FEDERAL..., WILDLIFE AND WATERFOWL REFUGES, AND HISTORIC SITES (SECTION 4(F)) § 774.5 Coordination. (a) Prior to making Section 4(f) approvals under § 774.3(a), the Section 4(f) evaluation shall be provided for coordination...

  6. 7 CFR 23.3 - Coordination.

    Code of Federal Regulations, 2010 CFR

    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 for...

  7. 28 CFR 42.412 - Coordination.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 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 § 42.412 Coordination. (a) The Attorney General's authority under Executive Order 12250 is hereby delegated to the...

  8. 47 CFR 15.525 - Coordination requirements.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... operator of an imaging system used for fixed operation shall supply a specific geographical location or the... coordination report shall identify those geographical areas within which the operation of an imaging system... Operation § 15.525 Coordination requirements. (a) UWB imaging systems require coordination through the...

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

    PubMed

    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.

  10. Studies of low-coordinate iron dinitrogen complexes.

    PubMed

    Smith, Jeremy M; Sadique, Azwana R; Cundari, Thomas R; Rodgers, Kenton R; Lukat-Rodgers, Gudrun; Lachicotte, Rene J; Flaschenriem, Christine J; Vela, Javier; Holland, Patrick L

    2006-01-25

    Understanding the interaction of N2 with iron is relevant to the iron catalyst used in the Haber process and to possible roles of the FeMoco active site of nitrogenase. The work reported here uses synthetic compounds to evaluate the extent of NN weakening in low-coordinate iron complexes with an FeNNFe core. The steric effects, oxidation level, presence of alkali metals, and coordination number of the iron atoms are varied, to gain insight into the factors that weaken the NN bond. Diiron complexes with a bridging N2 ligand, L(R)FeNNFeL(R) (L(R) = beta-diketiminate; R = Me, tBu), result from reduction of [L(R)FeCl]n under a dinitrogen atmosphere, and an iron(I) precursor of an N2 complex can be observed. X-ray crystallographic and resonance Raman data for L(R)FeNNFeL(R) show a reduction in the N-N bond order, and calculations (density functional and multireference) indicate that the bond weakening arises from cooperative back-bonding into the N2 pi orbitals. Increasing the coordination number of iron from three to four through binding of pyridines gives compounds with comparable N-N weakening, and both are substantially weakened relative to five-coordinate iron-N2 complexes, even those with a lower oxidation state. Treatment of L(R)FeNNFeL(R) with KC8 gives K2L(R)FeNNFeL(R), and calculations indicate that reduction of the iron and alkali metal coordination cooperatively weaken the N-N bond. The complexes L(R)FeNNFeL(R) react as iron(I) fragments, losing N2 to yield iron(I) phosphine, CO, and benzene complexes. They also reduce ketones and aldehydes to give the products of pinacol coupling. The K2L(R)FeNNFeL(R) compounds can be alkylated at iron, with loss of N2.

  11. IGS Network Coordinator Report - 2002

    NASA Technical Reports Server (NTRS)

    Moore, Angelyn

    2004-01-01

    The IGS network is a set of permanent, continuously-operating, dual-frequency GPS stations operated by over 100 worldwide agencies. The dataset is pooled at IGS Data Centers for routine use by IGS Analysis Centers in creating precise IGS products, as well as free access by other analysts around the world. The IGS Central Bureau hosts the IGS Network Coordinator, who assures adherence to standards and provides information regarding the IGS network via the Central Bureau Information System website at http://igscb.jpl.nasa.gov.

  12. Coordination of multiple robot arms

    NASA Technical Reports Server (NTRS)

    Barker, L. K.; Soloway, D.

    1987-01-01

    Kinematic resolved-rate control from one robot arm is extended to the coordinated control of multiple robot arms in the movement of an object. The structure supports the general movement of one axis system (moving reference frame) with respect to another axis system (control reference frame) by one or more robot arms. The grippers of the robot arms do not have to be parallel or at any pre-disposed positions on the object. For multiarm control, the operator chooses the same moving and control reference frames for each of the robot arms. Consequently, each arm then moves as though it were carrying out the commanded motions by itself.

  13. Reaction coordinates of biomolecular isomerization

    PubMed Central

    Bolhuis, Peter G.; Dellago, Christoph; Chandler, David

    2000-01-01

    Transition path sampling has been applied to the molecular dynamics of the alanine dipeptide in vacuum and in aqueous solution. The analysis shows that more degrees of freedom than the traditional dihedral angles, φ and ψ, are necessary to describe the reaction coordinates for isomerization of this molecule. In vacuum, an additional dihedral angle is identified as significant. In solution, solvent variables are shown to play a significant role, and this role appears to be more specific than can be captured by friction models. Implications for larger molecules are discussed. PMID:10801977

  14. Normal coordinate analysis of acycloguanosine

    NASA Astrophysics Data System (ADS)

    Gavira, J. M.; de la Fuente, M.; Navarro, R.; Hernanz, A.

    1997-06-01

    A normal coordinate analysis of the acyclovir (9-[(2-hydroxyethoxy)methyl]guanine, acycloguanosine) molecule has been carried out in two ways based on the Wilson GF method: one by constructing a force field transferred from similar molecules; the other based on molecular orbital (MO) calculations by the PM3 semiempirical method. Both analyses have been compared with the experimental IR and Raman spectra of acyclovir and one of its tetradeuterated isotopomers, and with the IR spectra of guanine and 2-methoxyethanol to assign the observed bands.

  15. Coordinating Council. Seventh Meeting: Acquisitions

    NASA Technical Reports Server (NTRS)

    1992-01-01

    The theme for this NASA Scientific and Technical Information Program Coordinating Council meeting was Acquisitions. In addition to NASA and the NASA Center for AeroSpace Information (CASI) presentations, the report contains fairly lengthy visuals about acquisitions at the Defense Technical Information Center. CASI's acquisitions program and CASI's proactive acquisitions activity were described. There was a presentation on the document evaluation process at CASI. A talk about open literature scope and coverage at the American Institute of Aeronautics and Astronautics was also given. An overview of the STI Program's Acquisitions Experts Committee was given next. Finally acquisitions initiatives of the NASA STI program were presented.

  16. Reaction coordinates of biomolecular isomerization

    NASA Astrophysics Data System (ADS)

    Bolhuis, Peter G.; Dellago, Christoph; Chandler, David

    2000-05-01

    Transition path sampling has been applied to the molecular dynamics of the alanine dipeptide in vacuum and in aqueous solution. The analysis shows that more degrees of freedom than the traditional dihedral angles, and , are necessary to describe the reaction coordinates for isomerization of this molecule. In vacuum, an additional dihedral angle is identified as significant. In solution, solvent variables are shown to play a significant role, and this role appears to be more specific than can be captured by friction models. Implications for larger molecules are discussed.

  17. Geometrical product specifications. Datums and coordinate systems

    NASA Astrophysics Data System (ADS)

    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

  18. XAFS Model Compound Library

    DOE Data Explorer

    Newville, Matthew

    The XAFS Model Compound Library contains XAFS data on model compounds. The term "model" compounds refers to compounds of homogeneous and well-known crystallographic or molecular structure. Each data file in this library has an associated atoms.inp file that can be converted to a feff.inp file using the program ATOMS. (See the related Searchable Atoms.inp Archive at http://cars9.uchicago.edu/~newville/adb/) This Library exists because XAFS data on model compounds is useful for several reasons, including comparing to unknown data for "fingerprinting" and testing calculations and analysis methods. The collection here is currently limited, but is growing. The focus to date has been on inorganic compounds and minerals of interest to the geochemical community. [Copied, with editing, from http://cars9.uchicago.edu/~newville/ModelLib/

  19. Continual coordination of spacecraft through shared activities

    NASA Technical Reports Server (NTRS)

    Clement, B. J.; Barrett, A. C.

    2002-01-01

    Interacting agents that interleave planning and execution must reach consensus on their commitments to each other. In domains where agents have varying degrees of interaction and different constraints on communication and computation, agents will require different coordination protocols in order to efficiently reach consensus. ShAC (Shared Activity Coordination) is a framework for designing coordination protocols with an algorithm for continually coordinating agents using these protocols during execution. We show how to construct a wide range of protocols using this framework and describe how ShAC coordinates two rovers and an orbiter in a simulated Mars scenario.

  20. Media Coordinators and Superintendents' Views: Interpretations About the Media Coordinator's Role.

    ERIC Educational Resources Information Center

    Margoles, Richard Allan

    In this limited study, two areas were of primary concern: the media coordinator's responsibilities and the media coordinator's personality traits. School superintendents and media coordinators were asked to rank the importance of eleven media responsibilities. They were also asked to rank the types of personality traits a media coordinator should…

  1. Preparation of uranium compounds

    DOEpatents

    Kiplinger, Jaqueline L; Montreal, Marisa J; Thomson, Robert K; Cantat, Thibault; Travia, Nicholas E

    2013-02-19

    UI.sub.3(1,4-dioxane).sub.1.5 and UI.sub.4(1,4-dioxane).sub.2, were synthesized in high yield by reacting turnings of elemental uranium with iodine dissolved in 1,4-dioxane under mild conditions. These molecular compounds of uranium are thermally stable and excellent precursor materials for synthesizing other molecular compounds of uranium including alkoxide, amide, organometallic, and halide compounds.

  2. Grid-coordinate generation program

    USGS Publications Warehouse

    Cosner, Oliver J.; Horwich, Esther

    1974-01-01

    This program description of the grid-coordinate generation program is written for computer users who are familiar with digital aquifer models. The program computes the coordinates for a variable grid -used in the 'Pinder Model' (a finite-difference aquifer simulator), for input to the CalComp GPCP (general purpose contouring program). The program adjusts the y-value by a user-supplied constant in order to transpose the origin of the model grid from the upper left-hand corner to the lower left-hand corner of the grid. The user has the options of, (1.) choosing the boundaries of the plot; (2.) adjusting the z-values (altitudes) by a constant; (3.) deleting superfluous z-values and (4.) subtracting the simulated surfaces from each other to obtain the decline. Output of this program includes the fixed format CNTL data cards and the other data cards required for input to GPCP. The output from GPCP then is used to produce a potentiometric map or a decline map by means of the CalComp plotter.

  3. Intelligent navigation and multivehicle coordination

    NASA Astrophysics Data System (ADS)

    McKay, Mark D.; Anderson, Matthew O.; Kinoshita, Robert A.; Flann, Nicholas S.

    1999-07-01

    The Idaho National Engineering and Environmental Laboratory (INEEL) and Utah State University's Center for Self-Organizing and Intelligent Systems have developed a team of autonomous robotic vehicles. This paper discusses the development of a strategy that uses a sophisticated, highly intelligent sensor platform to allow centralized coordination between smaller and inexpensive robots. The three components of the multi-agent cooperative scheme are small-scale robots, large-scale robots, and the central control station running a mission and path- planning software. The smaller robots are used for activities where the probability of loss increases, such as Unexploded Ordnance (UXO) or mine detonation. The research is aimed at building simple, inexpensive multi-agent vehicles and an intelligent navigation and multi-vehicle coordination system suitable for UXO, environmental remediation or mine detection. These simplified robots are capable of conducting hunting missions using low-cost positioning sensors and intelligent algorithms. Additionally, a larger sensor-rich intelligent system capable of transporting smaller units to outlying remote sites has been developed. The larger system interfaces to the central control station and provides navigation assistance to multiple low-cost vehicles. Finally, mission and path-planning software serves as the operator control unit, allowing central data collection, map creation and tracking, and an interface to the larger system as well as each smaller unit. The power of this scheme is the ability to scale to the appropriate level for the complexity of the mission.

  4. D Coordinate Transformation Using Artificial Neural Networks

    NASA Astrophysics Data System (ADS)

    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.

  5. Different geometrical arrangements in carboxylate coordination polymers of flexible dicarboxylic acid

    SciTech Connect

    Deka, Himangshu; Sarma, Rupam; Kumari, Satchi; Khare, Alika; Baruah, Jubaraj B.

    2011-07-15

    Dicarboxylate coordination polymers (1-5) of Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II), respectively, derived from (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid (L{sub 1}H{sub 2}) are synthesized and characterized. Depending on the coordination sites around the metal centers and coordination mode of the ligand, dimensionality of these polymers varies. The dicarboxylates adopt three spatial orientations: in-plane linear coordination, out-of-plane cis coordination and out-of-plane trans coordination mode. Both the cis and trans out-of-plane coordination modes are found to exist only if the ancillary ligand pyridine is coordinated to the metal ion. When the aquoligand coordinates the in-plane linear coordination mode of L{sub 1} predominates. The coordination polymers 4 and 5 show photoluminescence in solution. The dicarboxylate of (5-carboxymethoxy-naphthalen-1-yloxy)-acetic acid (L{sub 2}H{sub 2}) does not form coordination polymer under ambient conditions, but prefers to remain as uncoordinated anion providing hydrophobic confinement to hexa-aquometal(II) cation. Compound 3 crystallizes in P2{sub 1} space group and it shows broadband ultra-violet fluorescence centered at 352.9 nm on focusing 632.8 nm He:Ne laser. - Graphical abstract: Different geometrical arrangements in coordination polymers derived from (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid of metal ions Mn(II), Ni(II), Cu(II), Zn(II) and Cd(II) are presented. The (5-carboxymethoxy-naphthalen-1-yloxy)-acetic acid led to hexa-aquo cadmium(II) dicarboxylate. Highlights: > Structural and spectroscopic characterizations of five dicarboxylate coordination polymers of (7-carboxymethoxy-naphthalen-2-yloxy)-acetic acid with different metal ions are presented. > Different geometrical arrangements of coordination polymers stabilized in solid state are described. > Photoluminescence properties of the polymers are shown. > NLO property of a copper coordination polymer is described.

  6. Nitrodifluoraminoterphenyl compounds and processes

    DOEpatents

    Lerom, M.W.; Peters, H.M.

    1975-07-08

    This patent relates to the nitrodifluoraminoterphenyl compounds: 3,3''-bis (difluoramino)-2,2'' 4,4', 4'',6,6',6''-octanitro-m-terphenyl (DDONT) and 3,3''-bis(difluoramino)-2,2',2''4,4',4'',6,6',6''-nonanitro-m-terphenyl (DDNONA). Procedures are described wherein diamino precursors of the indicated compounds are prepared and the final compounds are obtained by a fluorination operation. The compounds are highly energetic and suitable for use as explosives and particularly in exploding bridge wire (EBW) detonators. (auth)

  7. A barium based coordination polymer for the activity assay of deoxyribonuclease I.

    PubMed

    Song, Chan; Wang, Guan-Yao; Wang, Ya-Ling; Kong, De-Ming; Wang, Yong-Jian; Li, Yue; Ruan, Wen-Juan

    2014-10-04

    A new coordination polymer which shows an unusual 2D inorganic connectivity was constructed. This compound exhibits distinct fluorescence quenching ability to the dye-labeled single-stranded DNA probes with different lengths, based on which an analytical method was developed for the activity assay of deoxyribonuclease I.

  8. Inorganic Clathrates: A Polyhedron with 22 Vertices and up to Ninefold Coordinated Phosphorus Atoms.

    PubMed

    Baumer, Franziska; Nilges, Tom

    2017-02-09

    Attractive phosphorus: Phosphorus atoms coordinated to up to nine neighbors can be found in the host structure of the clathrate Ba8 M24 P28+δ , which results in a new 22-vertex polyhedron (yellow). The physical properties can be tuned by adjusting the amount of phosphorus incorporated in the host framework of this new cage compound.

  9. Reversible extrusion and uptake of HCl molecules by crystalline solids involving coordination bond cleavage and formation.

    PubMed

    Mínguez Espallargas, Guillermo; Brammer, Lee; van de Streek, Jacco; Shankland, Kenneth; Florence, Alastair J; Adams, Harry

    2006-08-02

    Yellow crystalline salts (3-XpyH)2[CuCl4] (3-XpyH = 3-halopyridinium, X = Cl, Br) lose HCl upon exposure to air in an open vessel, yielding quantitatively blue crystalline coordination compounds [CuCl2(3-Xpy)2]. The reaction is prevented if the vessel is sealed, but can be driven forward under such conditions by providing a trapping agent for HCl, such as an aqueous solution of AgNO3. The reaction requires cleavage of Cu-Cl and N-H bonds and formation of Cu-N bonds. The metal coordination geometry also changes from distorted tetrahedral to square planar. Remarkably, the reaction is fully reversible upon exposure of the blue coordination compound to vapor from a concentrated aqueous solution of HCl, and the initial yellow crystalline salt results. The structural changes occurring in these reactions have been followed by X-ray powder diffraction, including Rietveld refinement, of the crystal structures.

  10. Vibrational spectra and normal coordinate analysis of diazepam, phenytoin and phenobarbitone

    NASA Astrophysics Data System (ADS)

    Gunasekaran, S.; Thilak Kumar, R.; Ponnusamy, S.

    2006-12-01

    Vibrational spectroscopy is an important tool for the structural investigation of the organic molecules. In the present investigation, a normal coordinate analysis has been carried out on some anti-epileptic drugs, viz. diazepam, phenytoin and phenobarbitone. Diazepam is a derivative of benzodiazepine, phenytoin is a derivative of hydanation and pheonobarbitone is a barbiturate. The infrared spectra of the compounds are recorded in the region 4000-400 cm -1 and Raman spectra are recorded in the region 3500-50 cm -1. From the structural point of view, diazepam, phenytoin and phenobarbitone have been assumed to C s point group. A systematic set of symmetry coordinates has been constructed for these compounds and Wilson's FG matrix method has been applied for the normal coordinate analysis using general quadratic valance force field. The potential energy distribution is also calculated to check the vibrational band assignments.

  11. Impairments of Social Motor Coordination in Schizophrenia

    PubMed Central

    Varlet, Manuel; Marin, Ludovic; Raffard, Stéphane; Schmidt, R. C.; Capdevielle, Delphine; Boulenger, Jean-Philippe; Del-Monte, Jonathan; Bardy, Benoît G.

    2012-01-01

    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. PMID:22272247

  12. Coordination of two redundant robots

    NASA Technical Reports Server (NTRS)

    Tao, Jian M.; Luh, J. Y. S.

    1989-01-01

    A solution is presented for the optimal force distributions of two redundant coordinating robots. Two robots whose end-effectors firmly grasp a common inertial load form a closed-chain structure, and thus the robots must observe a set of constraint conditions on (1) the end-effector positions, orientations, linear and angular velocities and (2) the forces and torques inserted onto the end-effectors by the load. To achieve the maximum load capability, the optimal force distribution under the known posture is developed. If the robots are redundant, joint solutions may be obtained if some optimization criterion such as manipulability is imposed. The singularity, manipulability, and force ellipsoids are investigated in terms of the two manipulator Jacobian matrices. The manipulability is shown to correspond to the cascade structure, while the force ellipsoid corresponds to the parallel structure in terms of the manipulator Jacobian matrices.

  13. Communication indices of crew coordination

    NASA Technical Reports Server (NTRS)

    Kanki, B. G.; Lozito, S.; Foushee, H. C.

    1989-01-01

    The relationship between communication patterns and performance in 10 two-person flightcrews is explored with the aim of identifying speech variations which differentiate low- and high-error full mission simulator flights. Verbal data, transcribed from the videotaped performances, are treated as interactive sequences of speech events in which statements spoken by one crewmember are considered within the context of the other crewmember's prior and subsequent speech. Specific speech patterns characterized each crew, but the overriding findings included: a) marked homogeneity of patterns characterizing low-error crews, interpreted as the adoption of a standard form of communicating, and b) heterogeneity of patterns characterizing high-error crews, interpreted as the relative absence of a conventionalized form. Because conventions are regularities which confirm the expectations of those involved, predictability of crewmember behavior should be greater when standard conventions are followed. We conclude that such a practice can facilitate the coordination process and enhance crew performance.

  14. Communication indices of crew coordination

    NASA Technical Reports Server (NTRS)

    Kanki, B. G.; Lozito, S.; Foushee, H. C.

    1989-01-01

    The relationship between communication patterns and performance in 10 two-person flightcrews is explored with the aim of identifying speech variations which differentiate low- and high-error full mission simulator flights. Verbal data, transcribed from the videotaped performances, are treated as interactive sequences of speech events in which statements spoken by one crewmember are considered within the context of the other crewmember's prior and subsequent speech. Specific speech patterns characterized each crew, but the overriding findings included: a) marked homogeneity of patterns characterizing low-error crews, interpreted as the adoption of a standard form of communicating, and b) heterogeneity of patterns characterizing high-error crews, interpreted as the relative absence of a conventionalized form. Because conventions are regularities which confirm the expectations of those involved, predictability of crewmember behavior should be greater when standard conventions are followed. We conclude that such a practice can facilitate the coordination process and enhance crew performance.

  15. PTPRR, cerebellum, and motor coordination.

    PubMed

    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.

  16. Vertical jump coordination: fatigue effects.

    PubMed

    Rodacki, André Luiz Felix; Fowler, Neil E; Bennett, Simon J

    2002-01-01

    The aim of this study was to investigate the segmental coordination of vertical jumps under fatigue of the knee extensor and flexor muscles. Eleven healthy and active subjects performed maximal vertical jumps with and without fatigue, which was imposed by requesting the subjects to extend/flex their knees continuously in a weight machine, until they could not lift a load corresponding to approximately 50% of their body weight. Knee extensor and flexor isokinetic peak torques were also measured before and after fatigue. Video, ground reaction forces, and electromyographic data were collected simultaneously and used to provide several variables of the jumps. Fatiguing the knee flexor muscles did not reduce the height of the jumps or induce changes in the kinematic, kinetic, and electromyographic profiles. Knee extensor fatigue caused the subjects to adjust several variables of the movement, in which the peak joint angular velocity, peak joint net moment, and power around the knee were reduced and occurred earlier in comparison with the nonfatigued jumps. The electromyographic data analyses indicated that the countermovement jumps were performed similarly, i.e., a single strategy was used, irrespective of which muscle group (extensor or flexors) or the changes imposed on the muscle force-generating characteristics (fatigue or nonfatigue). The subjects executed the movements as if they scaled a robust template motor program, which guided the movement execution in all jump conditions. It was speculated that training programs designed to improve jump height performance should avoid severe fatigue levels, which may cause the subjects to learn and adopt a nonoptimal and nonspecific coordination solution. It was suggested that the neural input used in the fatigued condition did not constitute an optimal solution and may have played a role in decreasing maximal jump height achievement.

  17. Coordinating towards a Common Good

    NASA Astrophysics Data System (ADS)

    Santos, Francisco C.; Pacheco, Jorge M.

    2010-09-01

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

  18. Pharmaceutical compounding or pharmaceutical manufacturing? A regulatory perspective.

    PubMed

    Timko, Robert J; Crooker, Philip E M

    2014-01-01

    At one time, nearly all prescriptions were compounded preparations. There is an ongoing demand for compounded prescription medications because manufacturers cannot fulfill the needs of all individual patients. Compounding pharmacies are a long standing yet less frequently discussed element in the complex matrix of prescription drug manufacturing, distribution, and patient use. The drug shortage situation for many necessary and life-saving drug products is a complicating factor that has led to the numerous quality issues that currently plague large-scale compounding pharmacies. The states are the primary regulator of pharmacies, including community drug stores, large chains, and specialty pharmacies. Pharmacies making and distributing drugs in a way that is outside the bounds of traditional pharmacy compounding are of great concern to the U.S. Food and Drug Administration. The U.S. Congress has recently passed the Drug Quality and Security Act. This legislation establishes a clear boundary between traditional compounders and compounding manufacturers. It clarifies a national, uniform set of rules for compounding manufacturers while preserving the states' primary role in traditional pharmacy regulation. It clarifies the U.S. Food and Drug Administration's authority over the compounding of human drugs while requiring the Agency to engage and coordinate with states to ensure the safety of compounded drugs.

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

    PubMed

    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.

  20. Stability diagrams for fourfold coordination of polyvalent metal ions in molten mixtures of halide salts

    SciTech Connect

    Akdeniz, Z. Istanbul Univ. . Dept. of Physics); Tosi, M.P. . Dipt. di Fisica Teorica Argonne National Lab., IL )

    1988-11-01

    The stability of local fourfold coordination for divalent and trivalent metal ions in liquid mixtures of polyvalent metal halides and alkali halides is classified by means of structural coordinates obtained from properties of the elements. In parallel with earlier classifications of compound crystal structures and molecular shapes, the elemental properties are taken from first-principles calculations of valence electron orbitals in atoms, in the form of (i) the nodal radii of Andreoni, Baldereschi and Guizzetti or (ii) the pseudopotential radii or Zunger and Cohen. As a third alternative a classification based on Pettifor's phenomenological chemical scale of the elements is also considered. The alternative structural classification schemes that are developed from these elemental properties are generally successfully in distinguishing molten mixtures in which the available experimental evidence indicates long-lived fourfold coordination of polyvalent metal ions. In addition, Pettifor's chemical scale scheme is useful in sorting out finer details of local coordination in the liquid state. 3 figs., 71 refs.

  1. State-Based Implicit Coordination and Applications

    NASA Technical Reports Server (NTRS)

    Narkawicz, Anthony J.; Munoz, Cesar A.

    2011-01-01

    In air traffic management, pairwise coordination is the ability to achieve separation requirements when conflicting aircraft simultaneously maneuver to solve a conflict. Resolution algorithms are implicitly coordinated if they provide coordinated resolution maneuvers to conflicting aircraft when only surveillance data, e.g., position and velocity vectors, is periodically broadcast by the aircraft. This paper proposes an abstract framework for reasoning about state-based implicit coordination. The framework consists of a formalized mathematical development that enables and simplifies the design and verification of implicitly coordinated state-based resolution algorithms. The use of the framework is illustrated with several examples of algorithms and formal proofs of their coordination properties. The work presented here supports the safety case for a distributed self-separation air traffic management concept where different aircraft may use different conflict resolution algorithms and be assured that separation will be maintained.

  2. Reaction Coordinates and Mechanistic Hypothesis Tests.

    PubMed

    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.

  3. Configuration space representation in parallel coordinates

    NASA Technical Reports Server (NTRS)

    Fiorini, Paolo; Inselberg, Alfred

    1989-01-01

    By means of a system of parallel coordinates, a nonprojective mapping from R exp N to R squared is obtained for any positive integer N. In this way multivariate data and relations can be represented in the Euclidean plane (embedded in the projective plane). Basically, R squared with Cartesian coordinates is augmented by N parallel axes, one for each variable. The N joint variables of a robotic device can be represented graphically by using parallel coordinates. It is pointed out that some properties of the relation are better perceived visually from the parallel coordinate representation, and that new algorithms and data structures can be obtained from this representation. The main features of parallel coordinates are described, and an example is presented of their use for configuration space representation of a mechanical arm (where Cartesian coordinates cannot be used).

  4. Reaction Coordinates and Mechanistic Hypothesis Tests

    NASA Astrophysics Data System (ADS)

    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.

  5. Advancing Space Situational Awareness through International Coordination

    NASA Astrophysics Data System (ADS)

    Onsager, Terrance

    2012-07-01

    The growing interest in Space Situational Awareness and the recognized need for global coordination has led to the involvement of numerous international activities to increase awareness and foster cooperation. These activities are serving to prioritize and to coordinate our efforts and helping to establish a stronger, global Space Situational Awareness enterprise. This coordination is important for our data infrastructure, research developments, and the provision of operational services. Among the organizations that are contributing to this global coordination are: the International Space Environment Service, the World Meteorological Organization, the United Nations Office for Outer Space Affairs, the International Civil Aviation Organization, the Coordination Group for Meteorological Satellites, and the International Committee on GNSS. In this presentation, the contributions of these various organizations to coordinating our Space Situational Awareness efforts will be described, with an emphasis on space weather.

  6. Observing joint action: Coordination creates commitment.

    PubMed

    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.

  7. Observing Joint Action: Coordination Creates Commitment

    PubMed Central

    Michael, John; Sebanz, Natalie; Knoblich, Günther

    2016-01-01

    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. PMID:27610745

  8. Multisites Coordination in Shared Multicast Trees

    DTIC Science & Technology

    1999-01-01

    conferencing, distributed interactive simulations, and collaborative systems. We de- scribe a novel protocol to coordinate multipoint groupwork in the IP...multicast framework. The pro- tocol supports Internet-wide coordination for large and highly-interactive groupwork , relying on trans- mission of...various hosts, and the CPs coordinating them. Users assume social roles (moderator, panelist, student ), and both users and agents assume control roles

  9. Optimization of Aimpoints for Coordinate Seeking Weapons

    DTIC Science & Technology

    2015-09-01

    target location, marked on the two- dimensional coordinate ground frame. Figure 4 illustrates the DPI (in red) on an enemy bridge position in the... coordinate plane . Figure 4. Definition of desired point of impact 6 The DPI is also known as the desired mean point of impact (DMPI) in cases where...origin of the range-deflection ground plane , the single-weapon PD of the target can be obtained by inputting the (x,y) coordinates of the target

  10. 5 strategies for coordinating postacute care.

    PubMed

    Johnson, David; Burik, David

    2010-07-01

    The following five strategies can help health systems meet the increasing requirement under healthcare reform for improved coordination of postacute care: Acknowledge the advantages of care coordination. Conduct an inventory of the organization's existing postacute assets. Determine the optimal portfolio of postacute facilities and services. Assess investment/divestiture alternatives. Build the facility network, supporting protocols, and data systems required to coordinate postacute care effectively.

  11. Spectral Asymmetry Due to Magnetic Coordinates

    SciTech Connect

    Park, Jong-kyu; Boozer, Allen H.; Menard, Jonathan E.

    2008-05-06

    The use of magnetic coordinates is ubiquitous in toroidal plasma physics, but the distortion in Fourier spectra produced by these coordinates is not well known. A spatial symmetry of the field is not always represented by a symmetry in the Fourier spectrum when magnetic coordinates are used because of the distortion of the toroidal angle. The practical importance of spectral distortion is illustrated with a tokamak example.

  12. Evaluating multiple coordinated windows for programming workstations

    NASA Technical Reports Server (NTRS)

    Shneiderman, B.; Grantham, C.; Norman, K.; Rogers, J.; Roussopoulos, N.

    1983-01-01

    Programmers might benefit from larger screens with multiple windows or multiple screens, especially if convenient coordination among screens are arranged. Uses for multiple coordinated displays in a programmers workstation are explored. Initial efforts focus on the potential applications, a command language for coordinating the displays, and the psychological basis for effective utilization so as to avoid information overload. Subsequent efforts will be devoted to implementing the concepts and performing controlled psychologically oriented experiments to validate the hypotheses.

  13. Novel 3D bismuth-based coordination polymers: Synthesis, structure, and second harmonic generation properties

    NASA Astrophysics Data System (ADS)

    Wibowo, Arief C.; Smith, Mark D.; Yeon, Jeongho; Halasyamani, P. Shiv; zur Loye, Hans-Conrad

    2012-11-01

    Two new 3D bismuth containing coordination polymers are reported along with their single crystal structures and SHG properties. Compound 1: Bi2O2(pydc) (pydc=pyridine-2, 5-dicarboxylate), crystallizes in the monoclinic, polar space group, P21 (a=9.6479(9) Å, b=4.2349(4) Å, c=11.9615(11) Å, β=109.587(1)°), which contains Bi2O2 chains that are connected into a 3D structure via the pydc ligands. Compound 2: Bi4Na4(1R3S-cam)8(EtOH)3.1(H2O)3.4 (1R3S cam=1R3S-camphoric acid) crystallizes in the monoclinic, polar space group, P21 (a=19.0855(7) Å, b=13.7706(5) Å, c=19.2429(7) Å, β=90.701(1)°) and is a true 3D coordination polymer. These are two example of SHG compounds prepared using unsymmetric ligands (compound 1) or chiral ligands (compound 2), together with metals that often exhibit stereochemically-active lone pairs, such as Bi3+, a synthetic approach that resulted in polar, non-centrosymmetric, 3D metal-organic coordination polymer.

  14. Lazy checkpoint coordination for bounding rollback propagation

    NASA Technical Reports Server (NTRS)

    Wang, Yi-Min; Fuchs, W. Kent

    1992-01-01

    Independent checkpointing allows maximum process autonomy but suffers from potential domino effects. Coordinated checkpointing eliminates the domino effect by sacrificing a certain degree of process autonomy. In this paper, we propose the technique of lazy checkpoint coordination which preserves process autonomy while employing communication-induced checkpoint coordination for bounding rollback propagation. The introduction of the notion of laziness allows a flexible trade-off between the cost for checkpoint coordination and the average rollback distance. Worst-case overhead analysis provides a means for estimating the extra checkpoint overhead. Communication trace-driven simulation for several parallel programs is used to evaluate the benefits of the proposed scheme for real applications.

  15. Reference coordinate systems: An update. Supplement 11

    NASA Technical Reports Server (NTRS)

    Mueller, Ivan I.

    1988-01-01

    A common requirement for all geodetic investigations is a well-defined coordinate system attached to the earth in some prescribed way, as well as a well-defined inertial coordinate system in which the motions of the terrestrial frame can be monitored. The paper deals with the problems encountered when establishing such coordinate systems and the transformations between them. In addition, problems related to the modeling of the deformable earth are discussed. This paper is an updated version of the earlier work, Reference Coordinate Systems for Earth Dynamics: A Preview, by the author.

  16. 32 CFR 555.10 - Coordination requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... NATIONAL CEMETERIES CORPS OF ENGINEERS, RESEARCH AND DEVELOPMENT, LABORATORY RESEARCH AND DEVELOPMENT AND TESTS, WORK FOR OTHERS § 555.10 Coordination requirements. All reimbursable work accepted by...

  17. Conformal coordinates associated with uniformly accelerated motion

    NASA Technical Reports Server (NTRS)

    Jones, R. T.

    1976-01-01

    Specific problems in the theory of relativity are often simplified by an appropriate choice of the coordinate system. Restricted conformal coordinates provide an especially simple analysis of motion with uniform acceleration, known as hyperbolic motion. Conformal coordinates x', t' may be obtained from Cartesian coordinates x, t by the transformation x'+ct'=F(x+ct) and x'-ct'=G(x-ct), where c is the velocity of light. A variable motion of the x' system is determined by the choice of the functions F and G.

  18. ASC Coordinate Transformation---The Pixlib Library

    NASA Astrophysics Data System (ADS)

    He, H.; McDowell, J.; Conroy, M.

    We describe a coordinate library for AXAF data analysis. The library handles transformations between celestial coordinates and instrumental (mirror, focal plane, detector pixel) coordinate systems. The need for careful transformations is driven by the accuracy of the detectors and the attitude determination system. The coordinate systems are characterized by parameter files generated from experimental and calibration data. Transformation calculations are performed by matrix-representation routines for maximum flexibility. This library is implemented in ANSI C, and uses the SAO IRAF-compatible parameter interface.

  19. Role of solvents in coordination supramolecular systems.

    PubMed

    Li, Cheng-Peng; Du, Miao

    2011-06-07

    Solvent effect is a vital subject in the domain of coordination chemistry. In this connection, previous researches mainly focus on the role of solvents in reaction kinetics and thermodynamics during the coordination processes. In virtue of the recent efforts on coordination supramolecular systems, especially coordination polymers or metal-organic frameworks, this feature article aims to demonstrate the solvent effect on regulating such diversiform metallosupramolecular solids, incorporating their crystal growth/assembly, structural modulation, dynamic transformations, and potential applications, which may provide new insights into the rational design and construction of such advanced crystalline materials.

  20. Optimized coordinates in vibrational coupled cluster calculations

    SciTech Connect

    Thomsen, Bo; Christiansen, Ove; Yagi, Kiyoshi

    2014-04-21

    The use of variationally optimized coordinates, which minimize the vibrational self-consistent field (VSCF) ground state energy with respect to orthogonal transformations of the coordinates, has recently been shown to improve the convergence of vibrational configuration interaction (VCI) towards the exact full VCI [K. Yagi, M. Keçeli, and S. Hirata, J. Chem. Phys. 137, 204118 (2012)]. The present paper proposes an incorporation of optimized coordinates into the vibrational coupled cluster (VCC), which has in the past been shown to outperform VCI in approximate calculations where similar restricted state spaces are employed in VCI and VCC. An embarrassingly parallel algorithm for variational optimization of coordinates for VSCF is implemented and the resulting coordinates and potentials are introduced into a VCC program. The performance of VCC in optimized coordinates (denoted oc-VCC) is examined through pilot applications to water, formaldehyde, and a series of water clusters (dimer, trimer, and hexamer) by comparing the calculated vibrational energy levels with those of the conventional VCC in normal coordinates and VCI in optimized coordinates. For water clusters, in particular, oc-VCC is found to gain orders of magnitude improvement in the accuracy, exemplifying that the combination of optimized coordinates localized to each monomer with the size-extensive VCC wave function provides a supreme description of systems consisting of weakly interacting sub-systems.

  1. Lazy checkpoint coordination for bounding rollback propagation

    NASA Technical Reports Server (NTRS)

    Wang, Yi-Min; Fuchs, W. K.

    1993-01-01

    Independent checkpointing allows maximum process autonomy but suffers from potential domino effects. Coordinated checkpointing eliminates the domino effect by sacrificing a certain degree of process autonomy. In this paper, we propose the technique of lazy checkpoint coordination which preserves process autonomy while employing communication-induced checkpoint coordination for bounding rollback propagation. The introduction of the notion of laziness allows a flexible trade-off between the cost for checkpoint coordination and the average rollback distance. Worst-case overhead analysis provides a means for estimating the extra checkpoint overhead. Communication trace-driven simulation for several parallel programs is used to evaluate the benefits of the proposed scheme for real applications.

  2. Syntheses and structural studies of coordination polymers with microporous frameworks

    NASA Astrophysics Data System (ADS)

    Niu, Tianyan

    The purpose of this work is to synthesize microporous solids using coordination chemistry. The syntheses were carried by diffusion method. Starting reagents, solvent, concentration, reaction speed and time, and temperature were the variables used to optimize the syntheses. The resulting products were characterized by single crystal X-ray diffraction to determine their structures. X-ray powder diffraction, TGA, IR, elemental analysis, and electron microprobe were used to provide complementary or supporting information. Exploratory studies were carried out mainly on organotin-cyanometalate compounds [(RmSnIV)x{M(CN)n} y]. The compounds are made up of SnRm cations and M(CN) n anions. The structures adopted are determined by the number and size of the organic ligands attached to the Sn atoms and by the cyanometalate M(CN) n moiety. Several new compounds in this class were synthesized and structurally characterized. They are [(Bu3Sn)3M(CN)6] (M = Fe, Co), [(R2Sn)3{CO(CN)6}2·X] (R = vinyl, butyl, and propyl), and [(Ph3Sn)2Ni(CN) 4 Ph3SnOH·˜0.8CH3CN·˜0.2H 2O]. The compound [(Ph3Sn)2Ni(CN)4·Ph 3SnOH·˜0.8CH3CN·˜0.2H2O] is to our knowledge, the first three dimensional cyanometalate coordination polymer with expanded inorganic NbO structure. The framework is not interpenetrated and the large central cavity in the structure is filled by inclusion of Ph 3SnOH and other solvent molecules during synthesis. In addition to the investigation of organotin-cyanometalate compounds, other approaches to microporous solids were also studied. A new compound [Co(H 2O)2Ni(CN)4·4H2O] in the Hofmann's clathrate family was obtained. Five one dimensional polymers synthesized by the reaction of dirhodium(II) tetraacetate with 1,4-dicyanobenzene in different solvent systems were also synthesized, and the effect of solvent on the resulting structures was investigated.

  3. MONITORING SYNTHETIC MUSK COMPOUNDS IN ...

    EPA Pesticide Factsheets

    Synthetic musk compounds are manufactured as fragrance materials for consumer products and are consumed in very large quantities worldwide. The research focused on in the subtasks is the development and application of state-of the-art technologies to meet the needs of the public, Office of Water, and ORD in the area of Water Quality. Located In the subtasks are the various research projects being performed in support of this Task and more in-depth coverage of each project. Briefly, each project's objective is stated below.Subtask 1: To integrate state-of-the-art technologies (polar organic chemical integrative samplers, advanced solid-phase extraction methodologies with liquid chromatography/electrospray/mass spectrometry) and apply them to studying the sources and fate of a select list of PPCPs. Application and improvement of analytical methodologies that can detect non-volatile, polar, water-soluble pharmaceuticals in source waters at levels that could be environmentally significant (at concentrations less than parts per billion, ppb). IAG with USGS ends in FY05. APM 20 due in FY05.Subtask 2: Coordination of interagency research and public outreach activities for PPCPs. Participate on NSTC Health and Environment subcommittee working group on PPCPs. Web site maintenance and expansion, invited technical presentations, invited articles for peer-reviewed journals, interviews for media, responding to public inquiries. Subtask 3: To apply state-of-the-art envir

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

    NASA Astrophysics Data System (ADS)

    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.

  5. Heterobimetallic MOFs containing tetrathiocyanometallate building blocks: pressure-induced spin crossover in the porous {Fe(II)(pz)[Pd(II)(SCN)4]} 3D coordination polymer.

    PubMed

    Muñoz-Lara, Francisco J; Arcís-Castillo, Zulema; Muñoz, M Carmen; Rodríguez-Velamazán, J Alberto; Gaspar, Ana B; Real, José A

    2012-10-15

    Here we describe the synthesis, structure, and magnetic properties of two related coordination polymers made up of self-assembling Fe(II) ions, pyrazine (pz), and the tetrathiocyanopalladate anion. Compound {Fe(MeOH)(2)[Pd(SCN)(4)]}·pz (1a) is a two-dimensional coordination polymer where the Fe(II) ions are equatorially coordinated by the nitrogen atoms of four [Pd(SCN)(4)](2-) anions, each of which connects four Fe(II) ions, forming corrugated layers {Fe[Pd(SCN)(4)]}(∞). The coordination sphere of Fe(II) is completed by the oxygen atoms of two CH(3)OH molecules. The layers stack one on top of each other in such a way that the included pz molecule establishes strong hydrogen bonds with the coordinated methanol molecules of adjacent layers. Compound {Fe(pz)[Pd(SCN)(4)]} (2) is a three-dimensional porous coordination polymer formed by flat {Fe[Pd(SCN)(4)]}(∞) layers pillared by the pz ligand. Thermal analysis of 1a shows a clear desorption of the two coordinated CH(3)OH molecules giving a rather stable phase (1b), which presumably is a polymorphic form of 2. The magnetic properties of the three derivatives are typical of the high-spin Fe(II) compounds. However, compounds 1b and 2, with coordination sphere [FeN(6)], show thermal spin crossover behavior at pressures higher than ambient pressure (10(5) MPa).

  6. [Laboratory of Biopolymer Compounds].

    PubMed

    Ostapchuk, A M

    2008-01-01

    General information is presented concerning the Laboratory of Biological Polymeric Compounds at the Institute of Microbiology and Virology of the National Academy of Sciences of Ukraine; equipment, analytical and biophysical methods applied in the laboratory are listed.

  7. Heart testing compound

    DOEpatents

    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.

  8. Polynitramino compounds outperform PETN.

    PubMed

    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.

  9. Stabilized Lanthanum Sulphur Compounds

    NASA Technical Reports Server (NTRS)

    Reynolds, George H. (Inventor); Elsner, Norbert B. (Inventor); Shearer, Clyde H. (Inventor)

    1985-01-01

    Lanthanum sulfide is maintained in the stable cubic phase form over a temperature range of from 500 C to 1500 C by adding to it small amounts of calcium, barium. or strontium. This novel compound is an excellent thermoelectric material.

  10. Heart testing compound

    DOEpatents

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

    1985-01-01

    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.

  11. Neural circuitry coordinating male copulation

    PubMed Central

    Pavlou, Hania J; Lin, Andrew C; Neville, Megan C; Nojima, Tetsuya; Diao, Fengqiu; Chen, Brian E; White, Benjamin H; Goodwin, Stephen F

    2016-01-01

    Copulation is the goal of the courtship process, crucial to reproductive success and evolutionary fitness. Identifying the circuitry underlying copulation is a necessary step towards understanding universal principles of circuit operation, and how circuit elements are recruited into the production of ordered action sequences. Here, we identify key sex-specific neurons that mediate copulation in Drosophila, and define a sexually dimorphic motor circuit in the male abdominal ganglion that mediates the action sequence of initiating and terminating copulation. This sexually dimorphic circuit composed of three neuronal classes – motor neurons, interneurons and mechanosensory neurons – controls the mechanics of copulation. By correlating the connectivity, function and activity of these neurons we have determined the logic for how this circuitry is coordinated to generate this male-specific behavior, and sets the stage for a circuit-level dissection of active sensing and modulation of copulatory behavior. DOI: http://dx.doi.org/10.7554/eLife.20713.001 PMID:27855059

  12. Haptic feedback helps bipedal coordination.

    PubMed

    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.

  13. Coordinating with the "Inner GPS".

    PubMed

    Fenton, André A

    2015-06-01

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

  14. Coordinating locally 'owned' treatment guidelines.

    PubMed

    Collier, J; Picton, C; Littlejohns, P

    1994-01-01

    South West Thames Regional Health Authority established and commissioned a regional guidelines unit to coordinate the introduction of a set of treatment guidelines on the management of common medical emergencies into all the acute intaking National Health Service (NHS) hospitals throughout the region. All hospitals were offered a set of template guidelines to be used at their discretion for producing their own customised equivalent. They were also offered full typing and production facilities, together with printing costs if publication was achieved by a target deadline (1 August 1993). In 11 of the 14 NHS hospitals guidelines were available to hospital staff by the target deadline, and one set was produced for a non-NHS hospital. In two hospitals the target date was not met, and one other declined to take part. As part of the project the unit assessed the extent to which the published guidelines were adapted to meet the requirements of each individual hospital. The template offered guidelines on 34 topic titles. No hospital used all core titles of the original template; titles were omitted or replaced in some, and added in others. Where the original guideline titles were used, there was almost always some customisation--changes in sentence structure, names or contact numbers, alterations in drugs and doses or the addition or omission of entire sections. By using an established resource, sets of customised, locally determined treatment guidelines were introduced with relative ease into most of the acute hospitals in a UK health region.

  15. The European NEO Coordination Centre

    NASA Astrophysics Data System (ADS)

    Perozzi, E.; Borgia, B.; Micheli, M.

    An operational approach to NEO (Near-Earth Object) hazard monitoring has been developed at European level within the framework of the Space Situational Awareness Program (SSA) of the European Space Agency (ESA). Through federating European assets and profiting of the expertise developed in European Universities and Research Centers, it has been possible to start the deployment of the so-called SSA NEO Segment. This initiative aims to provide a significant contribution to the worldwide effort to the discovery, follow-up and characterization of the near-Earth object population. A major achievement has been the inauguration in May 2013 of the ESA NEO Coordination Centre located at ESRIN (Frascati, Italy). The goal of the NEOCC Precursor Service operations is twofold: to make available updated information on the NEO population and the associated hazard and to contribute to optimize the NEO observational efforts. This is done by maintaining and improving a Web Portal publicly available at http://neo.ssa.esa.int and by performing follow-up observations through a network of collaborating telescopes and facilities. An overview of the SSA-NEO System and a summary of the first two years of NEOCC operations is presented.

  16. Ulysses-UVCS Coordinated Observations

    NASA Technical Reports Server (NTRS)

    Suess, Steven T.; Poletto, G.; Simnett, G. M.; Corti, G.; Neugebauer, M.; Goldstein, B. E.

    1998-01-01

    We present results from coordinated observations in which instruments on SOHO and Ulysses were used to measure the density and flow speed of plasma at the Sun and to again measure the same properties of essentially the same plasma in the solar wind. Plasma was sampled by Ultraviolet Coronagraph Spectrometer (UVCS) at 3.5 and 4.5 solar radii and by Ulysses at 5 AU. Data were acquired during a nearly 2 week period in May-June 1997 at a latitude of 9-10 degrees north of the equator, on the east limb and, hence, in the streamer belt region and the source location of slow wind. Density and outflow plasma speed are compared, in order to check for preservation of the near Sun characteristics in the interplanetary medium. By chance, Ulysses was at the very northern edge of the visible streamer belt. Nevertheless, no evidence of fast wind, or mixing with fast wind coming from the northern polar coronal hole was evident at Ulysses. The morphology of the streamer belt was the same at the beginning and end of the observation period, but changed markedly during the middle of the period. A corresponding change in density (but not flow speed) was noted at Ulysses.

  17. International coordination of biomedical research.

    PubMed

    Owen, S G

    1976-01-01

    Recent efforts at international coordination in biomedical research have taken place at two levels. At the level of the working clinician and scientist, European regionalism has become increasingly manifest in such organizations as the European Society for Clinical Investigation, the European Organization for Research into the Treatment of Cancer, the European Molecular Biology Organization and many others. These have developed largely, though not entirely, independently of government funding. At the level of science policy, i.e. of bodies supporting biomedical research mainly from public funds, the major developments have been the Comité de la Recherche Médicale of the European Community and the much wider association of European Medical Research Councils, based on the whole of Western Europe; in October 1975 the latter group became incorporated into the new European Science Foundation as the first Standing Committee of that body. Wider, interregional, cooperation presents greater problems, though there have been some modest successes, and the multinational drive on research into six of the major health problems of the Third World now being proposed by WHO holds further promise for the future.

  18. Chemistry of peroxide compounds

    NASA Technical Reports Server (NTRS)

    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.

  19. Compound composite odontoma

    PubMed Central

    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. PMID:27194882

  20. Compound composite odontoma.

    PubMed

    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.

  1. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    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

  2. Phenolic Molding Compounds

    NASA Astrophysics Data System (ADS)

    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.

  3. Novel 3D bismuth-based coordination polymers: Synthesis, structure, and second harmonic generation properties

    SciTech Connect

    Wibowo, Arief C.; Smith, Mark D.; Yeon, Jeongho; Halasyamani, P. Shiv; Loye, Hans-Conrad zur

    2012-11-15

    Two new 3D bismuth containing coordination polymers are reported along with their single crystal structures and SHG properties. Compound 1: Bi{sub 2}O{sub 2}(pydc) (pydc=pyridine-2, 5-dicarboxylate), crystallizes in the monoclinic, polar space group, P2{sub 1} (a=9.6479(9) A, b=4.2349(4) A, c=11.9615(11) A, {beta}=109.587(1) Degree-Sign ), which contains Bi{sub 2}O{sub 2} chains that are connected into a 3D structure via the pydc ligands. Compound 2: Bi{sub 4}Na{sub 4}(1R3S-cam){sub 8}(EtOH){sub 3.1}(H{sub 2}O){sub 3.4} (1R3S cam=1R3S-camphoric acid) crystallizes in the monoclinic, polar space group, P2{sub 1} (a=19.0855(7) A, b=13.7706(5) A, c=19.2429(7) A, {beta}=90.701(1) Degree-Sign ) and is a true 3D coordination polymer. These are two example of SHG compounds prepared using unsymmetric ligands (compound 1) or chiral ligands (compound 2), together with metals that often exhibit stereochemically-active lone pairs, such as Bi{sup 3+}, a synthetic approach that resulted in polar, non-centrosymmetric, 3D metal-organic coordination polymer. - Graphical Abstract: Structures of two new, polar, 3D Bismuth(III)-based coordination polymers: Bi{sub 2}O{sub 2}(pydc) (compound 1), and Bi{sub 4}Na{sub 4}(1R3S-cam){sub 8}(EtOH){sub 3.1}(H{sub 2}O){sub 3.4} (compound 2). Highlights: Black-Right-Pointing-Pointer New, polar, 3D Bismuth(III)-based coordination polymers. Black-Right-Pointing-Pointer First polar bismuth-based coordination polymers synthesized via a 'hybrid' strategy. Black-Right-Pointing-Pointer Combination of stereochemically-active lone pairs and unsymmetrical or chiral ligands. Black-Right-Pointing-Pointer Synthesis of class C-SHG materials based on Kurtz-Perry categories.

  4. Biodegradation of nitroaromatic compounds.

    PubMed

    Spain, J C

    1995-01-01

    Nitroaromatic compounds are released into the biosphere almost exclusively from anthropogenic sources. Some compounds are produced by incomplete combustion of fossil fuels; others are used as synthetic intermediates, dyes, pesticides, and explosives. Recent research revealed a number of microbial systems capable of transforming or biodegrading nitroaromatic compounds. Anaerobic bacteria can reduce the nitro group via nitroso and hydroxylamino intermediates to the corresponding amines. Isolates of Desulfovibrio spp. can use nitroaromatic compounds as their source of nitrogen. They can also reduce 2,4,6-trinitrotoluene to 2,4,6-triaminotoluene. Several strains of Clostridium can catalyze a similar reduction and also seem to be able to degrade the molecule to small aliphatic acids. Anaerobic systems have been demonstrated to destroy munitions and pesticides in soil. Fungi can extensively degrade or mineralize a variety of nitroaromatic compounds. For example, Phanerochaete chrysosporium mineralizes 2,4-dinitrotoluene and 2,4,6-trinitrotoluene and shows promise as the basis for bioremediation strategies. The anaerobic bacteria and the fungi mentioned above mostly transform nitroaromatic compounds via fortuitous reactions. In contrast, a number of nitroaromatic compounds can serve as growth substrates for aerobic bacteria. Removal or productive metabolism of nitro groups can be accomplished by four different strategies. (a) Some bacteria can reduce the aromatic ring of dinitro and trinitro compounds by the addition of a hydride ion to form a hydride-Meisenheimer complex, which subsequently rearomatizes with the elimination of nitrite. (b) Monooxygenase enzymes can add a single oxygen atom and eliminate the nitro group from nitrophenols. (c) Dioxygenase enzymes can insert two hydroxyl groups into the aromatic ring and precipitate the spontaneous elimination of the nitro group from a variety of nitroaromatic compounds. (d) Reduction of the nitro group to the corresponding

  5. 7 CFR 1944.257 - Service coordinator.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Agriculture Regulations of the Department of Agriculture (Continued) RURAL HOUSING SERVICE, RURAL BUSINESS... management agency on a fee-for-service basis, and may serve less than full-time. The service coordinator or the case management agency providing service coordination shall not provide supportive services...

  6. Coordination of Funds and Programs. IDRA Focus.

    ERIC Educational Resources Information Center

    IDRA Newsletter, 1997

    1997-01-01

    This theme issue newsletter includes five articles on the theme of the coordinated, efficient, and equitable use of funds in educational programming. "A Successful Coordination of Funds and Programs Approach: Four Dimensions of the School Restructuring Process" (Abelardo Villarreal, Oanh H. Maroney) examines the interrelatedness of four…

  7. 47 CFR 80.513 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 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....

  8. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2010 CFR

    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, renewal or modification of an existing license concerning flight test frequencies, except as provided in...

  9. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Frequency coordination. 87.305 Section 87.305... Flight Test Stations § 87.305 Frequency coordination. (a)(1) Each application for a new station license, renewal or modification of an existing license concerning flight test frequencies, except as provided in...

  10. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Frequency coordination. 87.305 Section 87.305... Flight Test Stations § 87.305 Frequency coordination. (a)(1) Each application for a new station license, renewal or modification of an existing license concerning flight test frequencies, except as provided in...

  11. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Frequency coordination. 87.305 Section 87.305... Flight Test Stations § 87.305 Frequency coordination. (a)(1) Each application for a new station license, renewal or modification of an existing license concerning flight test frequencies, except as provided in...

  12. 47 CFR 87.305 - Frequency coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Frequency coordination. 87.305 Section 87.305... Flight Test Stations § 87.305 Frequency coordination. (a)(1) Each application for a new station license, renewal or modification of an existing license concerning flight test frequencies, except as provided in...

  13. 49 CFR 214.325 - Train coordination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 4 2012-10-01 2012-10-01 false Train coordination. 214.325 Section 214.325 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination...

  14. 49 CFR 214.325 - Train coordination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 4 2013-10-01 2013-10-01 false Train coordination. 214.325 Section 214.325 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination...

  15. 49 CFR 214.325 - Train coordination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 4 2014-10-01 2014-10-01 false Train coordination. 214.325 Section 214.325 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination...

  16. 49 CFR 214.325 - Train coordination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Train coordination. 214.325 Section 214.325 Transportation Other Regulations Relating to Transportation (Continued) FEDERAL RAILROAD ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RAILROAD WORKPLACE SAFETY Roadway Worker Protection § 214.325 Train coordination...

  17. Encoding and Retrieval During Bimanual Rhythmic Coordination

    ERIC Educational Resources Information Center

    Shockley, Kevin; Turvey, Michael T.

    2005-01-01

    In 2 experiments, bimanual 1:1 rhythmic coordination was performed concurrently with encoding or retrieval of word lists. Effects of divided attention (DA) on coordination were indexed by changes in mean relative phase and recurrence measures of shared activity between the 2 limbs. Effects of DA on memory were indexed by deficits in recall…

  18. Motor Coordination and Intelligence Level in Adolescents

    ERIC Educational Resources Information Center

    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…

  19. 40 CFR 35.691 - Funding coordination.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 1 2011-07-01 2011-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

  20. 40 CFR 35.272 - Funding coordination.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  1. 40 CFR 35.691 - Funding coordination.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 1 2013-07-01 2013-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

  2. 40 CFR 35.691 - Funding coordination.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

  3. 40 CFR 35.272 - Funding coordination.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 1 2011-07-01 2011-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  4. 40 CFR 35.272 - Funding coordination.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  5. 40 CFR 35.272 - Funding coordination.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 1 2013-07-01 2013-07-01 false Funding coordination. 35.272 Section 35.272 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE....272 Funding coordination. Recipients must use the lead-based paint program funding in a way that...

  6. 40 CFR 35.691 - Funding coordination.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Funding coordination. 35.691 Section 35.691 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY GRANTS AND OTHER FEDERAL ASSISTANCE...(g)) § 35.691 Funding coordination. Recipients must use the Lead-Based Paint program funding in a way...

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

    ERIC Educational Resources Information Center

    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,…

  8. The Temporal Coordination of Early Infant Communication.

    ERIC Educational Resources Information Center

    Yale, Marygrace E.; Messinger, Daniel S.; Cobo-Lewis, Alan B.; Delgado, Christine F.

    2003-01-01

    A bootstrapping procedure was used to determine whether preverbal infants at 3- and 6-months sequenced (1) vocalizations, (2) gazes at their mothers' faces, and (3) facial expressions into pairs of coordinated patterns nonrandomly. Findings indicated that smiles and frowns were highly coordinated with vocalizations. Smiles were also coordinated…

  9. Coordination of Knowledge in Judging Animated Motion

    ERIC Educational Resources Information Center

    Thaden-Koch, Thomas C.; Dufresne, Robert J.; Mestre, Jose P.

    2006-01-01

    Coordination class theory is used to explain college students' judgments about animated depictions of moving objects. diSessa's coordination class theory models a "concept" as a complex knowledge system that can reliably determine a particular type of information in widely varying situations. In the experiment described here, fifty individually…

  10. 36 CFR 222.33 - Management coordination.

    Code of Federal Regulations, 2010 CFR

    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 management...

  11. 23 CFR 810.8 - Coordination.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 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 Mass Transportation Administrator shall coordinate with each other on any projects involving public mass transit to...

  12. 23 CFR 810.8 - Coordination.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 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 Mass Transportation Administrator shall coordinate with each other on any projects involving public mass transit to...

  13. 23 CFR 810.8 - Coordination.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 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 Mass Transportation Administrator shall coordinate with each other on any projects involving public mass transit to...

  14. The transportation external coordination working group

    SciTech Connect

    1995-10-01

    In an effort to improve coordinated interactions between the United States Department of Energy (DOE) and external groups interested in transportation activities, DOE established the Transportation External Coordination Working Group (TEC/WG). Membership includes representatives from State, Tribal and local governments, industry, and professional organizations. All DOE programs with significant transportation programs participate.

  15. Energy Materials Coordinating Committee (EMaCC)

    SciTech Connect

    Not Available

    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)

  16. Overview: Texas Higher Education Coordinating Board

    ERIC Educational Resources Information Center

    Texas Higher Education Coordinating Board, 2009

    2009-01-01

    The Texas Higher Education Coordinating Board (THECB) was created by the Texas Legislature in 1965 to provide leadership and coordination for the Texas higher education system to achieve excellence for the college education of Texas students. Most of the statutes that are applicable to THECB are found in the Texas Education Code, Title 3, Section…

  17. Coordinating Units at the Candy Depot

    ERIC Educational Resources Information Center

    Norton, Anderson; Boyce, Steven; Hatch, Jennifer

    2015-01-01

    In general, units coordination refers to the relationships that students can maintain between various units when working within a numerical situation. It is critical that middle school students learn to coordinate three levels of units not only because of their importance in understanding fractions but also because of their implications for…

  18. The Clinical Coordinator's Role in Heart Transplantation

    PubMed Central

    Powers, Penny L.

    1987-01-01

    The role of the clinical coordinator in a heart transplant program is one of the most comprehensive in nursing, because the coordinator follows the patient through the entire evaluation procedure, through preoperative and postoperative care, and indeed throughout the remainder of his life. (Texas Heart Institute Journal 1987; 14:243-246) PMID:15227305

  19. Concurrent Cognitive Task Modulates Coordination Dynamics

    ERIC Educational Resources Information Center

    Pellecchia, Geraldine L.; Shockley, Kevin; Turvey, M. T.

    2005-01-01

    Does a concurrent cognitive task affect the dynamics of bimanual rhythmic coordination? In-phase coordination was performed under manipulations of phase detuning and movement frequency and either singly or in combination with an arithmetic task. Predicted direction-specific shifts in stable relative phase from 0 degrees due to detuning and…

  20. 77 FR 260 - Forest Resource Coordinating Committee

    Federal Register 2010, 2011, 2012, 2013, 2014

    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...