Mercury coordination polymers with flexible ethane-1,2-diyl-bis-(pyridyl-3-carboxylate): Synthesis, structures, thermal and luminescent properties

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Vallejos, Javier [Departamento de Química, Universidad Católica del Norte, Av. Angamos 0610, Antofagasta (Chile); Brito, Iván, E-mail: ivanbritob@yahoo.com [Departamento de Quimica, Universidad de Antofagasta, Av. Angamos 601, Antofagasta (Chile); Cárdenas, Alejandro [Departamento de Física, Universidad de Antofagasta, Av. Angamos 601, Antofagasta (Chile); Llanos, Jaime [Departamento de Química, Universidad Católica del Norte, Av. Angamos 0610, Antofagasta (Chile); Bolte, Michael [Institut für Anorganische Chemie der Goethe—Universität Frankfurt, Max-von-Laue-Strasse 7, D-60438 Frankfurt am Main (Germany); López-Rodríguez, Matías [Instituto de Bio-Orgánica “Antonio González”, Universidad de La Laguna, Astrofísico Francisco Sánchez N° 2, La Laguna, Tenerife (Spain)

2015-03-15

The reaction of the flexible ligand, ethane-1,2-diyl-bis-(pyridyl-3-carboxylate), (L) with HgI{sub 2} and HgBr{sub 2} salts under the same experimental conditions leads to the formation of two coordination polymers with different motifs: ([Hg(L)(Br{sub 2})]){sub n}(1) and ([Hg(L)(I{sub 2})]){sub n}(2). In both compounds, the ligand, (L) acts in a μ2-N:N′-bidentate fashion to link HgBr{sub 2} and HgI{sub 2} units to form a linear and helical chain motif, along [1 0 0] for (1) and [0 0 1] for (2). The ethylene moiety of (L) has gauche and trans conformation in compounds (1) and (2), respectively. The flexible conformation of L produces differences in the optical and crystal properties of the two compounds. - Graphical abstract: This work demonstrates how the HgX{sub 2} units are coordinates by bi-dentate ligand forming polymeric coordination complexes by self-assembly of both chemical units.- Highlights: • News 1-D d{sup 10} transition metal coordination polymers. • The photoluminescent properties have been measured. • The thermal properties have been measured.

Four coordination polymers based on 5-tert-butyl isophthalic acid and rigid bis(imidazol-1yl)benzene linkers: Synthesis, luminescence detection of acetone and optical properties

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Arıcı, Mürsel; Zafer Yeşilel, Okan; Büyükgüngör, Orhan

2017-05-01

Four coordination polymers including, [Co(μ-Htbip)2(μ-dib)]n (1), [Co(μ-tbip)(μ-dmib)0.5]n (2), [Zn2(μ-tbip)(μ3-tbip)(μ-dmib)1.5]n (3) and [Cd(μ3-tbip)(μ-dib)0.5 (H2O)]n (4) (tbip: 5-tert-butylisophthalate, dib: 1,4-bis(imidazol-1yl)benzene, dmib: 1,4-bis(imidazol-1yl)-2,5-dimethylbenzene), were hydrothermally synthesized and characterized by elemental analysis, IR spectra, single crystal and powder X-ray diffraction and thermal analysis (TG/DTA). The structural diversity is observed depending on ligands and coordination number of metal centers in the synthesized complexes. The tbip ligand displayed five different coordination modes in its complexes. In 1 and 2, complex 1 is 3D framework with the dia topology while complex 2 has 2D structure with the sql topology depending on coordination geometries of Co ions. Complex 3 is 3D framework with the fsh 4,6-conn topology and complex 4 has 2D 4-connected sql topology. Photoluminescent properties of complex 3 dispersed in various organic solvents were investigated and the results showed that 3 dispersed in methanol could be used as a fluorescent sensor for the detection of acetone. Moreover, thermal and optical properties of the complexes were also studied.

Synthesis and characterization of bright green terbium coordination complex derived from 1,4-bis(carbonylmethyl)terephthalate: Structure and luminescence properties

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Ma, Mengjiao; Li, Congcong; Shu, Dengkun; Wang, Chaohua; Xi, Peng

2018-02-01

A photoluminescent terbium (Tb) complex involving a novel benzoic-acid compound with a unique coordinated structure, namely 1,4-bis(carbonylmethyl)terephthalate (BCMT), has been designed and synthesized. The new coordinate structure and energy-transfer mechanism between the ligand and Tb(III) ions were investigated in detail. The results demonstrated that the BCMT-Tb(III) complex shows strong fluorescence intensity (4 × 106 a.u.) and long fluorescence lifetime (1.302 ms), owing to the favorable degree of energy matching between the triplet excited level of the ligand and the resonant level of Tb(III) ions. Based on the analysis of three-dimensional luminescence spectra, the as-prepared Tb(III) complex can be effectively excited in the range of 250-310 nm, and it shows high color purity, with a bright green appearance.

(μ-Acetato-κ2O:O′[μ-2,6-bis({bis[(pyridin-2-yl-κNmethyl]amino-κN}methyl-4-methylphenolato-κ2O:O](methanol-κOdizinc bis(perchlorate

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Biswanath Das

2014-04-01

Full Text Available The binuclear title complex, [Zn2(C33H33N6O(CH3COO2(CH3OH](ClO42, was synthesized by the reaction between 2,6-bis({[bis(pyridin-2-ylmethyl]amino}methyl-4-methylphenol (H-BPMP, Zn(OAc2 and NaClO4. The two ZnII ions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnII ions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnII ions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal, is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The –OH group of the coordinating methanol solvent molecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2:0.266 (2.

Crystal structure of a looped-chain CoII coordination polymer: catena-poly[[bis(nitrato-κOcobalt(II]bis[μ-bis(pyridin-3-ylmethylsulfane-κ2N:N′

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Suk-Hee Moon

2017-11-01

Full Text Available The asymmetric unit of the title compound, [Co(NO32(C12H12N2S2]n, contains a bis(pyridin-3-ylmethylsulfane (L ligand, an NO3− anion and half a CoII cation, which lies on an inversion centre. The CoII cation is six-coordinated, being bound to four pyridine N atoms from four symmetry-related L ligands. The remaining coordination sites are occupied by two O atoms from two symmetry-related nitrate anions in a monodentate manner. Thus, the CoII centre adopts a distorted octahedral geometry. Two symmetry-related L ligands are connected by two symmetry-related CoII cations, forming a 20-membered cyclic dimer, in which the CoII atoms are separated by 10.2922 (7 Å. The cyclic dimers are connected to each other by sharing CoII atoms, giving rise to the formation of an infinite looped chain propagating along the [101] direction. Intermolecular C—H...π (H...ring centroid = 2.89 Å interactions between one pair of corresponding L ligands and C—H...O hydrogen bonds between the L ligands and the nitrate anions occur in the looped chain. In the crystal, adjacent looped chains are connected by intermolecular π–π stacking interactions [centroid-to-centroid distance = 3.8859 (14 Å] and C—H...π hydrogen bonds (H...ring centroid = 2.65 Å, leading to the formation of layers parallel to (101. These layers are further connected through C—H...O hydrogen bonds between the layers, resulting in the formation of a three-dimensional supramolecular architecture.

Studies on trivalent lanthanide complexes of bis-vanillin p-phenylenediamine

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Shahma, Abu; Ahmad, Naseer

1983-01-01

The coordination interaction of lanthanide(III) chlorides with bis-vanillin o-phenylenediamine was studied by Ansari and Ahmad (1977). It was thought fruitful to compare these with the complexes of trivalent lanthanide ions with bis-vanillin p-phenylenediamine. The newly synthesized complexes were subjected to elemental, thermogravimetric and differential thermal analyses and their melting points, magnetic susceptibilities, molar conductances determined and infrared and electronic spectra taken. (author)

Bis[2,6-bis(trimethylsilylaminopyridine-κN1]{[6-bis(trimethylsilylaminopyridin-2-yl-κN1](trimethylsilylazanido-κN}lithium

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Justin A. Rave

2016-03-01

Full Text Available The title complex, [Li(C11H22N3Si2(C11H23N3Si22], contains a single lithium cation coordinated to three ligands. This is the first reported example of the ligand 2,6-bis(trimethylsilylaminopyridine supporting a monometallic complex. One ligand is mono-anionic and forms a four-membered chelate ring with the lithium cation via the pyridine and silylamido N atoms. The other two ligands are neutral and bind via the pyridine nitrogen. The lithium cation is coordinated in a tetrahedral environment. No intra- or intermolecular hydrogen bonding is observed in the crystal structure, likely indicating that weak electrostatic interactions are the dominant feature of the crystal packing.

Bis(μ-bis{[4-(2-pyridylpyrimidin-2-yl]sulfanyl}methanedisilver(I bis(perchlorate

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Hai-Bin Zhu

2010-12-01

Full Text Available In the macrocyclic centrosymmetric dinuclear complex, [Ag2(C19H14N6S22](ClO42, the AgI atom, bis{[4-(2-pyridylpyrimidin-2-yl]sulfanyl}methane (2-bppt ligand and perchlorate anion each lie on a twofold rotation axis. The 2-bppt ligand chelates two four-coordinated AgI atoms through its two bipyridine-like arms. The O atoms of the perchlorate anion are disordered each over two positions of equal occupancy. Adjacent complex molecules are linked by π–π interactions between the pyridine and pyrimidine rings [centroid–centroid distance = 3.663 (8 Å].

A two-dimensional Zn coordination polymer with a three-dimensional supramolecular architecture

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Fuhong Liu

2017-10-01

Full Text Available The title compound, poly[bis{μ2-4,4′-bis[(1,2,4-triazol-1-ylmethyl]biphenyl-κ2N4:N4′}bis(nitrato-κOzinc(II], [Zn(NO32(C18H16N62]n, is a two-dimensional zinc coordination polymer constructed from 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The ZnII cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl ligands, forming a distorted octahedral {ZnN4O2} coordination geometry. The linear 4,4′-bis[(1H-1,2,4-triazol-1-ylmethyl]-1,1′-biphenyl ligand links two ZnII cations, generating two-dimensional layers parallel to the crystallographic (132 plane. The parallel layers are connected by C—H...O, C—H...N, C—H...π and π–π stacking interactions, resulting in a three-dimensional supramolecular architecture.

μ-Carbonato-bis­(bis­{2-[(diethyl­amino)­meth­yl]phen­yl}bis­muth(III))

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Soran, Albert P.; Nema, Mihai G.; Breunig, Hans J.; Silvestru, Cristian

2011-01-01

The mol­ecular structure of the title compound, [Bi2(C11H16N)4(CO3)], consists of a symmetrically bridging carbonato group which binds two [2-Et2NCH2C6H4]2Bi units that are crystallographically related via a twofold rotation axis bis­ecting the carbonate group. The two Bi atoms and two of the C atoms directly bonded to bis­muth are quasi-planar [deviations of 0.323 (1) and 0.330 (9)Å for the Bi and C atoms, respectively] with the carbonate group. The remaining two ligands are in a trans arrangement relative to the quasi-planar (CBi)2CO3 system. The metal atom is strongly coordinated by the N atom of one pendant arm [Bi—N = 2.739 (6) Å], almost trans to the O atom, while the N atom of the other pendant arm exhibits a weaker intra­molecular inter­action [Bi⋯N = 3.659 (7) Å] almost trans to a C atom. If both these intra­molecular N→Bi inter­actions per metal atom are considered, the overall coordination geometry at bis­muth becomes distorted square-pyramidal [(C,N)2BiO cores] and the compound can be described as a hypervalent 12-Bi-5 species. Additional quite short intra­molecular Bi⋯O inter­actions are also present [3.796 (8)–4.020 (9) Å]. Inter­molecular associations through weak η6⋯Bi inter­actions [Bi⋯centroid of benzene ring = 3.659 (1) Å] lead to a ribbon-like supra­molecular association. PMID:21522836

A Novel Bis(phosphido)pyridine [PNP] 2− Pincer Ligand and Its Potassium and Bis(dimethylamido)zirconium(IV) Complexes

KAUST Repository

Winston, Matthew S.

2010-12-13

A novel PNP bis(secondary phosphine)pyridine pincer ligand, 2,6-bis(2-(phenylphosphino)phenyl)pyridine, has been prepared in high yield, and the properties of the doubly deprotonated form as a ligand in K 4(PNP)2(THF)6 and (PNP)Zr(NMe2) 2 have been investigated. The neutral PNP ligand has been isolated as a mixture of noninterconverting diastereomers, due to the presence of two chirogenic phosphorus atoms of the secondary phopshines, but coordination of the dianionic form to potassium and zirconium allows for isolation of a single diastereomer in near-quantitative yield. The structure of a bis(dimethylamido) zirconium(IV) derivative of the bis(phosphido)pyridine ligand and DFT calculations suggest that the phosphides do not π-bond to early transition metals, likely due to geometric strain and possibly orbital size mismatch between phosphorus and zirconium. As a result, the soft phosphides are prone to formation of insoluble oligomers with substantial bridging of the phosphido lone pairs to other zirconium centers. © 2010 American Chemical Society.

A Novel Bis(phosphido)pyridine [PNP] 2− Pincer Ligand and Its Potassium and Bis(dimethylamido)zirconium(IV) Complexes

KAUST Repository

Winston, Matthew S.; Bercaw, John E.

2010-01-01

A novel PNP bis(secondary phosphine)pyridine pincer ligand, 2,6-bis(2-(phenylphosphino)phenyl)pyridine, has been prepared in high yield, and the properties of the doubly deprotonated form as a ligand in K 4(PNP)2(THF)6 and (PNP)Zr(NMe2) 2 have been investigated. The neutral PNP ligand has been isolated as a mixture of noninterconverting diastereomers, due to the presence of two chirogenic phosphorus atoms of the secondary phopshines, but coordination of the dianionic form to potassium and zirconium allows for isolation of a single diastereomer in near-quantitative yield. The structure of a bis(dimethylamido) zirconium(IV) derivative of the bis(phosphido)pyridine ligand and DFT calculations suggest that the phosphides do not π-bond to early transition metals, likely due to geometric strain and possibly orbital size mismatch between phosphorus and zirconium. As a result, the soft phosphides are prone to formation of insoluble oligomers with substantial bridging of the phosphido lone pairs to other zirconium centers. © 2010 American Chemical Society.

Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties

International Nuclear Information System (INIS)

Jiang Xianrong; Yuan Hongyan; Feng Yunlong

2012-01-01

Five Zn(II) and Cd(II) coordination polymers, [Zn 2 (BOABA)(bpp)(OH)]·0.5H 2 O (1), [Cd 3 (BOABA) 2 (bpp) 2 (H 2 O) 6 ]·2H 2 O (2), [Cd 3 (BOABA) 2 (2,2′-bipy) 3 (H 2 O) 4 ]·5.5H 2 O (3), [CdNa(BOABA)(H 2 O)] 2 ·H 2 O (4) and [Cd 2 (BOABA)(bimb)Cl(H 2 O) 2 ]·H 2 O (5) (H 3 BOABA=3,5-bis-oxyacetate-benzoic acid, bpp=1,3-bi(4-pyridyl)propane, 2,2′-bipy=2,2′-bipyridine, bimb=1,4-bis(imidazol-1′-yl)butane), have been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra and TG analyses. 1 is an uninodal 4-connected 2D square grid network based on binuclear zinc clusters. 2 is 2D wavelike layer structure and further linked by hydrogen bonds into the final 3D (5,6,6)-connected topology network. 3 is 3-connected 2D topology network and the 2,2′-bipy ligands decorate in two different types. 4 is a (4,8)-connected 2D topology network with heterocaryotic {Cd 2 Na 2 } clusters and BOABA 3– ligands. 5 can be rationalized as a (3,10)-connected 3D topology network with tetranuclear {Cd 4 Cl 2 } clusters and BOABA 3– ligands. Meanwhile, photoluminescence studies revealed that these five coordination polymers display strong fluorescent emission bands in the solid state at room temperature. - Graphical abstract: Five new d 10 metal(II) coordination polymers based on H 3 BOABA ligand were obtained and characterized. They display different topological structures and luminescent properties. Highlights: ► Five d 10 metal(II) polymers based on 3,5-bis-oxyacetate-benzoic acid were obtained. ► The polymers were structurally characterized by single-crystal X-ray diffraction. ► Polymers 1–5 display different topological structures. ► They show strong fluorescent emission bands in the solid state.

A two-dimensional Zn coordination polymer with a three-dimensional supra-molecular architecture.

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Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping

2017-10-01

The title compound, poly[bis-{μ 2 -4,4'-bis-[(1,2,4-triazol-1-yl)meth-yl]biphenyl-κ 2 N 4 : N 4' }bis-(nitrato-κ O )zinc(II)], [Zn(NO 3 ) 2 (C 18 H 16 N 6 ) 2 ] n , is a two-dimensional zinc coordination polymer constructed from 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn II cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligands, forming a distorted octa-hedral {ZnN 4 O 2 } coordination geometry. The linear 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligand links two Zn II cations, generating two-dimensional layers parallel to the crystallographic (132) plane. The parallel layers are connected by C-H⋯O, C-H⋯N, C-H⋯π and π-π stacking inter-actions, resulting in a three-dimensional supra-molecular architecture.

Crystal structure of a looped-chain CoII coordination polymer: catena-poly[[bis-(nitrato-κO)cobalt(II)]bis-[μ-bis-(pyridin-3-ylmeth-yl)sulfane-κ2N:N'

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Moon, Suk-Hee; Seo, Joobeom; Park, Ki-Min

2017-11-01

The asymmetric unit of the title compound, [Co(NO 3 ) 2 (C 12 H 12 N 2 S) 2 ] n , contains a bis-(pyridin-3-ylmeth-yl)sulfane ( L ) ligand, an NO 3 - anion and half a Co II cation, which lies on an inversion centre. The Co II cation is six-coordinated, being bound to four pyridine N atoms from four symmetry-related L ligands. The remaining coordination sites are occupied by two O atoms from two symmetry-related nitrate anions in a monodentate manner. Thus, the Co II centre adopts a distorted octa-hedral geometry. Two symmetry-related L ligands are connected by two symmetry-related Co II cations, forming a 20-membered cyclic dimer, in which the Co II atoms are separated by 10.2922 (7) Å. The cyclic dimers are connected to each other by sharing Co II atoms, giving rise to the formation of an infinite looped chain propagating along the [101] direction. Inter-molecular C-H⋯π (H⋯ring centroid = 2.89 Å) inter-actions between one pair of corresponding L ligands and C-H⋯O hydrogen bonds between the L ligands and the nitrate anions occur in the looped chain. In the crystal, adjacent looped chains are connected by inter-molecular π-π stacking inter-actions [centroid-to-centroid distance = 3.8859 (14) Å] and C-H⋯π hydrogen bonds (H⋯ring centroid = 2.65 Å), leading to the formation of layers parallel to (101). These layers are further connected through C-H⋯O hydrogen bonds between the layers, resulting in the formation of a three-dimensional supra-molecular architecture.

STRUCTURAL STUDY OF BIS(2,6-BIS(PYRAZOL-3-YLPYRIDINENICKEL(II BY CALORIMETRY AND EXAFS SPECTROMETRY

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Kristian H Sugiyarto

2010-06-01

Full Text Available The main aim of this work is to reveal the complex formation of 2,6-bis(pyrazol-3-ylpyridine, bpp, with nickel(II perchlorate in DMF by calorimetric stepwise complex formation and then followed by EXAFS spectrometry. It was found that the complex formation follows two stepwise pathways namely the formation of mono pyrazolyl-pyridine, [Ni(DMF3 bpp]2+, and bis pyrazolyl-pyridine, [Ni(bpp2]2+;  the formation constants being  log β1 = 6.57, and log β2 = 5.02, and the total value of log β  = 11.58. The final formation of six-coordinated compound was confirmed by EXAFS analysis with the mean Ni-Nbpp bond length of 2.0646(0.0014 Å.   Keywords: nickel(II, bpp, EXAFS

Self-assembly of metal-organic supramolecules: from a metallamacrocycle and a metal-organic coordination cage to 1D or 2D coordination polymers based on flexible dicarboxylate ligands.

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Dai, Fangna; Dou, Jianmin; He, Haiyan; Zhao, Xiaoliang; Sun, Daofeng

2010-05-03

To assemble metal-organic supramolecules such as a metallamacrocycle and metal-organic coordination cage (MOCC), a series of flexible dicarboxylate ligands with the appropriate angle, 2,2'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bis(sulfanediyl)dibenzoic acid (H(2)L(1)), 2,2'-(2,5-dimethyl-1,4-phenylene)bis(methylene)bis(sulfanediyl)dibenzoic acid (H(2)L(2)), 2,2'-(2,4,6-trimethyl-1,3-phenylene)bis(methylene)bis(sulfanediyl)dinicotinic acid (H(2)L(3)), and 2,2'-(2,4,6-trimethyl-1,3-phenylene)bis(methylene)bis(sulfanediyl)dibenzoic acid (H(2)L(4)), have been designed and synthesized. Using these flexible ligands to assemble with metal ions, six metal-organic supramolecules, Cd(2)(L(1))(2)(dmf)(4)(H(2)O)(2).H(2)O (1), Mn(3)((1)L(2))(2)((2)L(2))(dmf)(2)(H(2)O)(2).5dmf (2), Cu(4)(L(3))(4)(H(2)O)(4).3dmf (3), Cu(4)(L(4))(4)(dmf)(2)(EtOH)(2).8dmf.6H(2)O (4), Mn(4)(L(4))(4)(dmf)(4)(H(2)O)(4).6dmf.H(2)O (5), and Mn(3)(L(4))(3)(dmf)(4).2dmf.3H(2)O (6), possessing a rectangular macrocycle, MOCCs or their extensions, and 1D or 2D coordination polymers, have been isolated. All complexes have been characterized by single-crystal X-ray diffraction, elemental analysis, and thermogravimetric analysis. Complex 1 is a discrete rectangular macrocycle, while complex 2 is a 2D macrocycle-based coordination polymer in which the L(2) ligand adopts both syn and anti conformations. Complexes 3-5 are discrete MOCCs in which two binuclear metal clusters are engaged by four organic ligands. The different geometries of the secondary building units (SBUs) and the axial coordinated solvates on the SBUs result in their different symmetries. Complex 6 is a 1D coordination polymer, extended from a MOCC made up of two metal ions and three L(4) ligands. All of the flexible dicarboxylate ligands adopt a syn conformation except that in complex 2, indicating that the syn conformational ligand is helpful for the formation of a metallamacrocycle and a MOCC. The magnetic properties of complexes 5

catena-Poly[[bis[[bis(3-aminopropylamine-κ3N,N′,N′′](thiocyanato-κNcadmium]-μ4-sulfato-κ4O,O:O′,O′] methanol hemisolvate

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Jan Boeckmann

2011-09-01

Full Text Available The asymmetric unit of the title compound, {[Cd2(NCS2(SO4(C6H17N32]·0.5CH3OH}n, consists of two Cd2+ cations, two thiocyanate and one sulfate anion, two bis(3-aminopropylamine co-ligands and one methanol molecule with half-occupancy. Each Cd2+ cation is coordinated by four N atoms of one terminal N-bonded thiocyanate anion and one bis(3-aminopropylamine co-ligand, and by two O atoms of two symmetry-related sulfate anions, defining a slightly distorted octahedral coordination polyhedron. Each two Cd2+ cations are connected into dimers, which are located on centres of inversion and which are further μ-1,1:3,3-bridged via the sulfate anions into polymeric zigzag chains along the a axis.

catena-Poly[[[diaquabis(selenocyanato-κNiron(II]-μ-1,2-bis(pyridin-4-ylethane-κ2N:N′] 1,2-bis(pyridin-4-ylethane disolvate dihydrate

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Susanne Wöhlert

2013-06-01

Full Text Available The title compound, {[Fe(NCSe2(C12H12N2(H2O2]·2C12H12N2·2H2O}n, was obtained by the reaction of iron(II sulfate heptahydrate and potassium selenocyanate with 1,2-bis(pyridin-4-ylethane (bpa in water. The FeII cation is coordinated by two N-bonded selenocyanate anions, two water molecules and two 1,2-bis(pyridin-4-ylethane (bpa ligands in a slightly distorted octahedral geometry. In addition, two non-coordinating bpa molecules and two water molecules are present. The FeII cation is located on a center of inversion while the coordinating bpa ligand is located on a twofold rotation axis. The FeII cations are linked by the bpa ligands into chains along the b-axis direction, which are further connected into layers perpedicular to the c axis by O—H...N and O—H...O hydrogen bonds to the non-coordinating bpa and the water molecules. The crystal studied was twinned by pseudo-merohedry (180° rotation along c*; contribution of the minor twin component 3.7%.

Experimental investigation of some coordination complexes using the sup(151)Eu Moessbauer resonance

International Nuclear Information System (INIS)

Lal, Asharfi; Rama Reddy, A.; Arvind; Ahmad, Naseer

1979-01-01

Several Schiff base complexes containing Eu 151 metal ions have been synthesized and their Moessbauer spectra are recorded using the constant acceleration velocity spectrometer. The least-square analysis method for the evaluation of the hyperfine field coupling constants is adopted using the computer dec system-10. From the systematic analysis of the quadrupole coupling constants (q.c.c.) and isomer shifts it has been established that the coordination number of the metal ion of Bis(acetylacetone) benzidine and thiourea complexes is five, that of bis-vanillin benzidine and bis-salicylaldehyde-o-dianisidine is six, and that of bis-vanillin-o-phenylene diamine is seven. It is also found that the q.c.c. being negative in all these complexes decreases monotonically as the coordination number increases. One unusual aspect of this experimental data is that most of the coordination complexes have very low f-factors whereas the Schiff base complexes studied here have a fairly high recoilless fractions. Attempts are in progress to synthesize and study the Fe Schiff base complexes in place of Eu. (auth.)

Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).

Science.gov (United States)

Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E

2015-12-01

Iron is of interest as a catalyst because of its established use in the Haber-Bosch process and because of its high abundance and low toxicity. Nitrogen-heterocyclic carbenes (NHC) are important ligands in homogeneous catalysis and iron-NHC complexes have attracted increasing attention in recent years but still face problems in terms of stability under oxidative conditions. The structure of the iron(II) complex [1,1'-bis(pyridin-2-yl)-2,2-bi(1H-imidazole)-κN(3)][3,3'-bis(pyridin-2-yl-κN)-1,1'-methanediylbi(1H-imidazol-2-yl-κC(2))](trimethylphosphane-κP)iron(II) bis(hexafluoridophosphate), [Fe(C17H14N6)(C16H12N6)(C3H9P)](PF6)2, features coordination by an organic decomposition product of a tetradentate NHC ligand in an axial position. The decomposition product, a C-C-coupled biimidazole, is trapped by coordination to still-intact iron(II) complexes. Insights into the structural features of the organic decomposition products might help to improve the stability of oxidation catalysts under harsh conditions.

Five new Zn(II) and Cd(II) coordination polymers constructed by 3,5-bis-oxyacetate-benzoic acid: Syntheses, crystal structures, network topologies and luminescent properties

Energy Technology Data Exchange (ETDEWEB)

Jiang Xianrong; Yuan Hongyan [Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Feng Yunlong, E-mail: sky37@zjnu.edu.cn [Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China)

2012-07-15

Five Zn(II) and Cd(II) coordination polymers, [Zn{sub 2}(BOABA)(bpp)(OH)]{center_dot}0.5H{sub 2}O (1), [Cd{sub 3}(BOABA){sub 2}(bpp){sub 2}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O (2), [Cd{sub 3}(BOABA){sub 2}(2,2 Prime -bipy){sub 3}(H{sub 2}O){sub 4}]{center_dot}5.5H{sub 2}O (3), [CdNa(BOABA)(H{sub 2}O)]{sub 2}{center_dot}H{sub 2}O (4) and [Cd{sub 2}(BOABA)(bimb)Cl(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) (H{sub 3}BOABA=3,5-bis-oxyacetate-benzoic acid, bpp=1,3-bi(4-pyridyl)propane, 2,2 Prime -bipy=2,2 Prime -bipyridine, bimb=1,4-bis(imidazol-1 Prime -yl)butane), have been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectra and TG analyses. 1 is an uninodal 4-connected 2D square grid network based on binuclear zinc clusters. 2 is 2D wavelike layer structure and further linked by hydrogen bonds into the final 3D (5,6,6)-connected topology network. 3 is 3-connected 2D topology network and the 2,2 Prime -bipy ligands decorate in two different types. 4 is a (4,8)-connected 2D topology network with heterocaryotic {l_brace}Cd{sub 2}Na{sub 2}{r_brace} clusters and BOABA{sup 3-} ligands. 5 can be rationalized as a (3,10)-connected 3D topology network with tetranuclear {l_brace}Cd{sub 4}Cl{sub 2}{r_brace} clusters and BOABA{sup 3-} ligands. Meanwhile, photoluminescence studies revealed that these five coordination polymers display strong fluorescent emission bands in the solid state at room temperature. - Graphical abstract: Five new d{sup 10} metal(II) coordination polymers based on H{sub 3}BOABA ligand were obtained and characterized. They display different topological structures and luminescent properties. Highlights: Black-Right-Pointing-Pointer Five d{sup 10} metal(II) polymers based on 3,5-bis-oxyacetate-benzoic acid were obtained. Black-Right-Pointing-Pointer The polymers were structurally characterized by single-crystal X-ray diffraction. Black-Right-Pointing-Pointer Polymers 1-5 display different

Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl-2,3-diazo-1,3-butadiene]-dichloro-Zn(II Coordination Polymers

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Hsin-Ta Wang

2006-08-01

Full Text Available Two novel coordination polymers with 3D metal-organic frameworks (MOFs have been synthesized by reacting 1,4-bis(3-pyridyl-2,3-diazo-1,3-butadiene (L with zinc dichloride. Both compounds have the same repeating unit consisting of a distorted tetrahedral Zn(II center coordinated by two chlorides and two pyridyl nitrogen atoms of two bridging bismonodentate L ligands, however, different structural conformations have been found, one forming a helical chain and the other producing a square-wave chain. The intermolecular C−H···Cl hydrogen bonds in 1 and 2 play important roles in the formation of three-dimensional coordination polymers. Compound 1 crystallized in an orthorhombic space group Pna21 with a = 7.9652(3, b = 21.4716(7, c = 8.2491(3Å, V = 1410.81(9 Å 3 and Z = 4. Compound 2 crystallized in a monoclinic space group P21/n with a = 9.1752(3, b = 14.5976(4, c = 10.3666(3 Å , β = 98.231(2°, V = 1374.16(7 Å 3 and Z = 4.

The gas-phase bis-uranyl nitrate complex ((UO2)2(NO3)5)-: infrared spectrum and structure

International Nuclear Information System (INIS)

Groenewold, G.S.; van Stipdonk, Michael J.; Oomens, Jos; De Jong, Wibe A.; McIlwain, Michael E.

2011-01-01

The infrared spectrum of the bis-uranyl nitrate complex ((UO 2 ) 2 (NO 3 ) 5 ) - was measured in the gas phase using multiple photon dissociation (IRMPD). Intense absorptions corresponding to the nitrate symmetric and asymmetric vibrations, and the uranyl asymmetric vibration were observed. The nitrate v 3 vibrations indicate the presence of nitrate in a bridging configuration bound to both uranyl cations, and probably two distinct pendant nitrates in the complex. The coordination environment of the nitrate ligands and the uranyl cations were compared to those in the mono-uranyl complex. Overall, the uranyl cation is more loosely coordinated in the bis-uranyl complex ((UO 2 ) 2 (NO 3 ) 5 ) - compared to the mono-complex (UO 2 (NO 3 ) 3 ) - , as indicated by a higher O-U-O asymmetric stretching (v 3 ) frequency. However, the pendant nitrate ligands are more strongly bound in the bis-complex than they are in the mono-uranyl complex, as indicated by the v 3 frequencies of the pendant nitrate, which are split into nitrosyl and O-N-O vibrations as a result of bidentate coordination. These phenomena are consistent with lower electron density donation per uranyl by the nitrate bridging two uranyl centers compared to that of a pendant nitrate in the mono-uranyl complex. The lowest energy structure predicted by density functional theory (B3LYP functional) calculations was one in which the two uranyl molecules bridged by a single nitrate coordinated in a bis-bidentate fashion. Each uranyl molecule was coordinated by two pendant nitrate ligands. The corresponding vibrational spectrum was in excellent agreement with the IRMPD measurement, confirming the structural assignment.

The gas-phase bis-uranyl nitrate complex ((UO2)2(NO3)5)-: infrared spectrum and structure

International Nuclear Information System (INIS)

Groenewold, Gary S.; van Stipdonk, Michael J.; Oomens, Jos; de Jong, Wibe; McIlwain, Michael E.

2011-01-01

The infrared spectrum of the bis-uranyl nitrate complex ((UO 2 ) 2 (NO 3 ) 5 ) - was measured in the gas phase using multiple photon dissociation (IRMPD). Intense absorptions corresponding to the nitrate symmetric and asymmetric vibrations, and the uranyl asymmetric vibration were observed. The nitrate nu3 vibrations indicate the presence of nitrate in a bridging configuration bound to both uranyl cations, and probably two distinct pendant nitrates in the complex. The coordination environment of the nitrate ligands and the uranyl cations were compared to those in the mono-uranyl complex. Overall, the uranyl cation is more loosely coordinated in the bis-uranyl complex ((UO 2 ) 2 (NO 3 ) 5 ) - compared to the mono-complex (UO 2 (NO 3 ) 3 ) - , as indicated by a higher O-U-O asymmetric stretching (nu3) frequency. However, the pendant nitrate ligands are more strongly bound in the bis-complex than they are in the mono-uranyl complex, as indicated by the ν 3 frequencies of the pendant nitrate, which are split into nitrosyl and O-N-O vibrations as a result of bidentate coordination. These phenomena are consistent with lower electron density donation per uranyl by the nitrate bridging two uranyl centers compared to that of a pendant nitrate in the mono-uranyl complex. The structure was calculated using density functional theory (B3LYP functional), which produced a structure in which the two uranyl molecules bridged by a single nitrate coordinated in a bis-bidentate fashion. Each uranyl molecule was coordinated by two pendant nitrate ligands. The corresponding vibrational spectrum was in excellent agreement with the IRMPD measurement, confirming the structural assignment.

Electron paramagnetic resonance and density-functional theory studies of Cu(II)-bis(oxamato) complexes.

Science.gov (United States)

Bräuer, Björn; Weigend, Florian; Fittipaldi, Maria; Gatteschi, Dante; Reijerse, Edward J; Guerri, Annalisa; Ciattini, Samuele; Salvan, Georgeta; Rüffer, Tobias

2008-08-04

In this work we present the investigation of the influence of electronic and structural variations induced by varying the N,N'-bridge on the magnetic properties of Cu(II)- bis(oxamato) complexes. For this study the complexes [Cu(opba)] (2-) ( 1, opba = o-phenylene- bis(oxamato)), [Cu(nabo)] (2-) ( 2, nabo = 2,3-naphthalene- bis(oxamato)), [Cu(acbo)] (2-) ( 3, acbo = 2,3-anthrachinone- bis(oxamato)), [Cu(pba)] (2-) ( 4, pba = propylene- bis(oxamato)), [Cu(obbo)] (2-) ( 5, obbo = o-benzyl- bis(oxamato)), and [Cu(npbo)] (2-) ( 6, npbo = 1,8-naphthalene- bis(oxamato)), and the respective structurally isomorphic Ni(II) complexes ( 8- 13) have been prepared as ( (n)Bu 4N) (+) salts. The new complex ( (n)Bu 4N) 2[Cu(R-bnbo)].2H 2O ( 7, R-bnbo = (R)-1,1'-binaphthalene-2,2'- bis(oxamato)) was synthesized and is the first chiral complex in the series of Cu(II)-bis(oxamato) complexes. The molecular structure of 7 has been determined by single crystal X-ray analysis. The Cu(II) ions of the complexes 1- 7 are eta (4)(kappa (2) N, kappa (2) O) coordinated with a more or less distorted square planar geometry for 1- 6 and a distorted tetrahedral geometry for 7. Using pulsed Electron Nuclear Double Resonance on complex 6, detailed information about the relative orientation of the hyperfine ( A) and nuclear quadrupole tensors ( Q) of the coordinating nitrogens with respect to the g tensor were obtained. Electron Paramagnetic Resonance studies in the X, Q, and W-band at variable temperatures were carried out to extract g and A values of N ligands and Cu ion for 1- 7. The hyperfine values were interpreted in terms of spin population on the corresponding atoms. The obtained trends of the spin population for the monomeric building blocks were shown to correlate to the trends obtained in the dependence of the exchange interaction of the corresponding trinuclear complexes on their geometry.

Construction of Six Coordination Polymers Based on a 5,5′-(1,2-Ethynyl)bis-1,3-benzenedicarboxylic Ligand: Synthesis, Structure, Gas Sorption, and Magnetic Properties

KAUST Repository

Zheng, Bing; Luo, Jiahuan; Wang, Fang; Peng, Yu; Li, Guanghua; Huo, Qisheng; Liu, Yunling

2013-01-01

Six novel coordination polymers based on a multifunctional ligand, 5,5'-(1,2-ethynyl)bis-1,3-benzenedicarboxylic (H4EBDC), namely, |(C3H7NO)2(H2O)7(C 2H5OH)3| [Zn2(C18H 6O8)(C10H8N2) 2] (1), |(C3H7NO)3(H2O)30- (CH3CN)2|[Zn 6(C18H6O8)3(C 6H12N2O2)2

Polymeric metal chelates with piperazine(bis)dithiocarbamate

International Nuclear Information System (INIS)

Larionov, S.V.; Kosareva, L.A.; Ikorskij, V.N.; Uskov, E.M.

1982-01-01

Roentgenoamorphous polymer chelates of Fe 3 , Co 2 , Ni 2 , Cu 2 , Zn 2 , Cd 2 , Pb 2 with tetradentate bridge ligand piperazine-(bis) dithiocarbamate have been synthesized. IR spectra in the region 200-400 cm - 1 point to coordination of sulphur atoms of groups CS 2- with metals. It is found that among the polymers synthesized CuLxH 2 O possesses the lowest electric resistance

Crystal structure of bis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κScopper(II

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Abdelhakim Laachir

2016-08-01

Full Text Available The mononuclear title complex, [Cu(SCN2(C12H8N4S2], was obtained by the reaction of 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole and potassium thiocyanate with copper(II chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by the S atoms of two thiocyanate anions. The thiadiazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190 (2 Å. The cohesion of the crystal structure is ensured by weak C—H...N hydrogen bonds and π–π interactions between parallel pyridyl rings of neighbouring molecules [centroid-to-centroid distance = 3.663 (2 Å], leading to a three-dimensional network.

Bis[N-(3-aminopropylpropane-1,3-diamine-κ3N,N′,N′′]cadmium nitrate perchlorate

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Václav Eigner

2012-03-01

Full Text Available The title complex, [Cd(C6H17N32](ClO4(NO3, was synthesized by the reaction of Cd(NO32·4H2O, bis(3-aminopropylamine and sodium perchlorate in methanol. The asymmetric unit of the title complex consists of one Cd2+ cation, two tridentate bis(3-aminopropylamine ligands, one nitrate anion and one perchlorate anion. The Cd2+ cation is coordinated by six N atoms of the bis(3-aminopropylamine ligands in a slightly distorted octahedral coordination geometry. In the crystal, molecules are held together by an intricate network of N—H...O interactions. One of the two amine ligands was found to be disordered over two sets of sites, with a ratio of 0.802 (3:0.198 (3, similarly to the nitrate anion, with a ratio of 0.762 (10:0.238 (10.

The btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] binding motif: a new versatile terdentate ligand for supramolecular and coordination chemistry.

Science.gov (United States)

Byrne, Joseph P; Kitchen, Jonathan A; Gunnlaugsson, Thorfinnur

2014-08-07

Ligands containing the btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] motif have appeared with increasing regularity over the last decade. This class of ligands, formed in a one pot ‘click’ reaction, has been studied for various purposes, such as for generating d and f metal coordination complexes and supramolecular self-assemblies, and in the formation of dendritic and polymeric networks, etc. This review article introduces btp as a novel and highly versatile terdentate building block with huge potential in inorganic supramolecular chemistry. We will focus on the coordination chemistry of btp ligands with a wide range of metals, and how it compares with other classical pyridyl and polypyridyl based ligands, and then present a selection of applications including use in catalysis, enzyme inhibition, photochemistry, molecular logic and materials, e.g. polymers, dendrimers and gels. The photovoltaic potential of triazolium derivatives of btp and its interactions with anions will also be discussed.

Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a Fluxional C 2 -Symmetric Bis(anilide)pyridine Ligand

KAUST Repository

Tonks, Ian A.

2012-03-12

Titanium and zirconium complexes supported by a bis(anilide)pyridine ligand (NNN = pyridine-2,6-bis(N-mesitylanilide)) have been synthesized and crystallographically characterized. C 2-symmetric bis(dimethylamide) complexes were generated from aminolysis of M(NMe 2) 4 with the neutral, diprotonated NNN ligand or by salt metathesis of the dipotassium salt of NNN with M(NMe 2) 2Cl 2. In contrast to the case for previously reported pyridine bis(phenoxide) complexes, the ligand geometry of these complexes appears to be dictated by chelate ring strain rather than metal-ligand π bonding. The crystal structures of the five-coordinate dihalide complexes (NNN)MCl 2 (M = Ti, Zr) display a C 1-symmetric geometry with a stabilizing ipso interaction between the metal and the anilido ligand. Coordination of THF to (NNN)ZrCl 2 generates a six-coordinate C 2-symmetric complex. Facile antipode interconversion of the C 2 complexes, possibly via flat C 2v intermediates, has been investigated by variable-temperature 1H NMR spectroscopy for (NNN)MX 2(THF) n (M = Ti, Zr; X = NMe 2, Cl) and (NNN)Zr(CH 2Ph) 2. These complexes were tested as propylene polymerization precatalysts, with most complexes giving low to moderate activities (10 2-10 4 g/(mol h)) for the formation of stereoirregular polypropylene. © 2012 American Chemical Society.

Binuclear complexes of technetium. Evidence for bis(terdentate)bidentate coordination by the bridging ligand 2,3,5,6-tetrakis(2-pyridyl)pyrazine to technetium(V)

International Nuclear Information System (INIS)

Du Preez, J.G.H.; Gerber, T.I.A.; Gibson, M.L.; Geyser, R.

1990-01-01

The authors have used the potentially bis(terdentate) nitrogen aromatic heterocyclic ligand 2,3,5,6-tetrakis(2-pyridyl)pyrazine (tppz) to prepare mono- and bimetallic technetium(V) complexes bound to tppz. The stimulus for the development of the coordination chemistry of the man-made element technetium is provided by the use of complexes of this element as anatomical imaging agents in nuclear medicine. Although the chemistry of technetium(V) with nitrogen donor ligands is well understood, no complexes have been prepared using potentially terdentate neutral nitrogen donor ligands of this metal in the +5 oxidation state

A tetrasilver(Iditungsten(VI cluster with sulfide and bis(diphenylphosphinomethane ligands

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Cun-Lin Zhang

2010-10-01

Full Text Available The asymmetric unit of the title complex, [Ag4W2S8(C25H22P23]·2C3H7NO, tris[μ2-bis(diphenylphosphinomethane]-3:6κ2P:P′;4:5κ2P:P′;5:6κ2P:P′-μ5-sulfido-2:3:4:5:6κ5S-μ3-sulfido-1:3:4κ3S-tetra-μ2-sulfido-1:3κ2S;1:4κ2S;2:5κ2S;2:6κ2S-disulfido-1κS,2κS-tetrasilver(Iditungsten(VI N,N-dimethylformamide disolvate, contains two [WS4]2− anions, four silver cations, three bidentate–bridging bis(diphenylphosphinomethane (dppm ligands and two N,N-dimethylformamide (DMF solvent molecules. The coordination geometry of each Ag atom is distorted tetrahedral. Two Ag ions are coordinated by μ2-S and μ5-S atoms, and by two P atoms from two dppm ligands, while the other two Ag atoms are coordinated by μ2-S, μ3-S and μ5-S atoms, and by one P atom from a dppm ligand.

The BIS and the Latin American debt crisis of the 1980s

OpenAIRE

Piet Clement; Ivo Maes

2013-01-01

The Latin American debt crisis, which broke out in August 1982, was the first global financial crisis in the postwar period. While the crisis started in the "periphery", it constituted a threat to the "core" of the world economy, as the banking system was under severe pressure. Alongside the IMF, the BIS played an important role in coordinating the international response to the crisis. Moreover, a lot of work at the BIS in the second half of the 1970s had aimed at restraining the debt build-u...

Structure of poly[diaqua[μ-1,2-bis(pyridin-4-ylethane-κ2N:N′]bis(μ3-cyclobutane-1,1-dicarboxylato-κ3O,O′:O′′:O′′′dimanganese(II

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Do Nam Lee

2015-08-01

Full Text Available In the title compound, [Mn(C6H6O4(C12H12N2(H2O]n, the cyclobutane-1,1-dicarboxylate (cbdc ligands bridge three MnII ions, forming layers parallel to the ac plane. These layers are additionally connected by 1,2-bis(pyridin-4-ylethane ligands to form a three-dimensional polymeric framework. An inversion centre is located at the mid-point of the central C—C bond of the 1,2-bis(pyridin-4-ylethane ligand. The coordination geometry of the MnII ion is distorted octahedral and is built up by four carboxylate O atoms, one water O atom and a pyridyl N atom. The pyridine ligand and the coordinating water molecule are in a trans configuration. One carboxylate group of the cbdc ligand acts as a chelating ligand towards one MnII atom, whereas the second carboxylate group coordinates two different MnII atoms.

μ-Oxalato-bis[(2,2′-bipyridylcopper(II] bis(perchlorate dimethylformamide disolvate monohydrate

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Alexander N. Boyko

2010-09-01

Full Text Available The title compound, [Cu2(C2O4(C10H8N24](ClO42·2C3H7NO·H2O, contains doubly charged centrosymmetric dinuclear oxalato-bridged copper(II complex cations, perchlorate anions, and DMF and water solvate molecules. In the complex cation, the oxalate ligand is coordinated in a bis-bidentate bridging mode to the Cu atoms. Each Cu atom has a distorted tetragonal-bipyramidal environment, being coordinated by two N atoms of the two chelating bipy ligands and two O atoms of the doubly deprotonated oxalate anion. Pairs of perchlorate anions and water molecules are linked into rectangles by O—H...O bonds in which the perchlorate O atoms act as acceptors and the water molecules as donors. Methyl groups of the DMF solvent molecule are disordered over two sites with occupancies of 0.453 (7:0.547 (7, and the water molecule is half-occupied.

(μ-Acetato-κ2 O:O′)[μ-2,6-bis­({bis­[(pyri­din-2-yl-κN)meth­yl]amino-κN}meth­yl)-4-methyl­phenolato-κ2 O:O](metha­nol-κO)dizinc bis­(perchlorate)

Science.gov (United States)

Das, Biswanath; Haukka, Matti; Nordlander, Ebbe

2014-01-01

The binuclear title complex, [Zn2(C33H33N6O)(CH3COO2)(CH3OH)](ClO4)2, was synthesized by the reaction between 2,6-bis­({[bis­(pyridin-2-yl)meth­yl]amino}­meth­yl)-4-methyl­phenol (H-BPMP), Zn(OAc)2 and NaClO4. The two ZnII ions are bridged by the phenolate O atom of the octadentate ligand and the acetate group. An additional methanol ligand is terminally coordinated to one of the ZnII ions, rendering the whole structure unsymmetric. Other symmetric dizinc complexes of BPMP have been reported. However, to the best of our knowledge, the present structure, in which the two ZnII ions are distinguishable by the number of coordinating ligands and the coordination geometries (octahedral and square-pyramidal), is unique. The dizinc complex is a dication, and two perchlorate anions balance the charge. The –OH group of the coordinating methanol solvent mol­ecule forms a hydrogen bond with a perchlorate counter-anion. One of the anions is disordered over two sets of sites with an occupancy ratio of 0.734 (2):0.266 (2). PMID:24826088

[Bis(TrimethylsilylMethyl]Lithium and -Sodium: Solubility in Alkanes and Complexes with O- and N- Donor Ligands

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Markus von Pilgrim

2017-06-01

Full Text Available In contrast to alkyl compounds of lithium, which play an important role in organometallic chemistry, the corresponding heavier alkali metal compounds are less investigated. These compounds are mostly insoluble in inert solvents or undergo solvolysis in coordinating solvents due to their high reactivity. An exception from this typical behavior is demonstrated by bis(trimethylsilylmethylsodium. This study examines alkane solutions of bis(trimethylsilylmethyllithium and -sodium by NMR spectroscopic and cryoscopic methods. In addition, structural studies by X-ray crystallography of the corresponding compounds coordinated by O- and N- ligands (tetrahydrofuran and tetramethylethylenediamine present possible structural motifs of the uncoordinated compounds in solution.

Tris(2,2′-bipyridine-κ2N,N′cobalt(III bis[bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6cobaltate(III] perchlorate dimethylformamide hemisolvate 1.3-hydrate

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Irina A. Golenya

2012-10-01

Full Text Available In the title compound, [Co(C10H8N23][Co(C7H3NO42]2(ClO4·0.5C3H7NO·1.3H2O, the CoIII atom in the complex cation is pseudooctahedrally coordinated by six N atoms of three chelating bipyridine ligands. The CoIII atom in the complex anion is coordinated by two pyridine N atoms and four carboxylate O atoms of two doubly deprotonated pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. One dimethylformamide solvent molecule and two water molecules are half-occupied and one water molecule is 0.3-occupied. O—H...O hydrogen bonds link the water molecules, the perchlorate anions and the complex anions. π–π interactions between the pyridine rings of the complex anions are also observed [centroid–centroid distance = 3.804 (3 Å].

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.

Science.gov (United States)

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

2016-10-01

The reaction of CoCl 2 ·6H 2 O, N , N -bis-(2-hy-droxy-eth-yl)glycine and tri-ethyl-amine (Et 3 N) in ethanol solution under solvothermal conditions produced crystals of [ N , N -bis-(2-hy-droxy-eth-yl)glycinato]chloridocobalt(II), [Co(C 6 H 12 NO 4 )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.

Diaquabis[2,6-bis(4H-1,2,4-triazol-4-ylpyridine-κN2]bis(selenocyanato-κNcobalt(II

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Yuan-Yuan Liu

2012-08-01

Full Text Available In the title compound, [Co(NCSe2(C9H7N72(H2O2], the Co2+ cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligands and two water molecules within a slightly distorted N4O2 octahedron. The asymmetric unit consists of one Co2+ cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-ylpyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to the bc plane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

Polysulfide coordination clusters of the lanthanides

Energy Technology Data Exchange (ETDEWEB)

Ma, Ying-Zhao; Bestgen, Sebastian; Gamer, Michael T.; Roesky, Peter W. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Konchenko, Sergey N. [Institute of Inorganic Chemistry, Karlsruhe Institute of Technology, Karlsruhe (Germany); Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk (Russian Federation); Novosibirsk State University (Russian Federation)

2017-10-16

The reaction of [(DippForm){sub 2}Ln(thf){sub 2}] with an excess of elemental sulfur in toluene resulted in the formation of the trinuclear polysulfide coordination clusters [(DippForm){sub 3}Ln{sub 3}S{sub 12}] (Ln=Sm, Yb; DippForm=N,N'-bis(2,6-diisopropylphenyl)formamidinate). These are the first f element coordination clusters (Ln{sub n}S{sub x}) with a larger polysulfide unit (n and x>2). The formation of the coordination clusters can be rationalized by the reductive cleavage of S{sub 8} with divalent lanthanides. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Coordination preference and magnetic properties of FeII assemblies with a bis-azole bearing 1,2,4-triazole and tetrazole

Science.gov (United States)

Naik, Anil D.; Railliet, Antoine P.; Dîrtu, Marinela M.; Garcia, Yann

2012-03-01

With a new bis-azole molecular fragment ( Htt) bearing 1,2,4-triazole and tetrazole, a mononuclear complex [Fe(tt)2(H2O)4]·2H2O ( 1), a trinuclear complex [Fe3(tt)6(H2O)6]·2H2O ( 2) and a 1D coordination polymer [Fe(tt)(Htt)2]BF4·2CH3OH ( 3) were obtained by varying reaction conditions. Htt acts either as an anionic or neutral ligand depending upon the reaction medium and pH. Thermal variation of spin states of 1- 3 were investigated in the range 77-300 K by 57Fe Mössbauer spectroscopy. 1 totally remains in high-spin state over the entire temperature range whereas no spin crossover was evidenced in 2. Nearly 1:1 high-spin and low-spin population ratio is found in 3, which remains constant over the entire temperature range investigated.

A two-dimensional bilayered Cd(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1,2-bis(pyridin-4-yl)ethene and 2,2'-(diazenediyl)dibenzoic acid.

Science.gov (United States)

Liu, Lei-Lei; Zhou, Yan; Li, Ping; Tian, Jiang-Ya

2014-02-01

In poly[[μ2-1,2-bis(pyridin-4-yl)ethene-κ(2)N:N'][μ2-2,2'-(diazenediyl)dibenzoato-κ(3)O,O':O'']cadmium(II)], [Cd(C14H8N2O4)(C12H10N2)]n, the asymmetric unit contains one Cd(II) cation, one 2,2'-(diazenediyl)dibenzoate anion (denoted L(2-)) and one 1,2-bis(pyridin-4-yl)ethene ligand (denoted bpe). Each Cd(II) centre is six-coordinated by four O atoms of bridging/chelating carboxylate groups from three L(2-) ligands and by two N atoms from two bpe ligands, forming a distorted octahedron. The Cd(II) cations are bridged by L(2-) and bpe ligands to give a two-dimensional (4,4) layer. The layers are interlinked through bridging carboxylate O atoms from L(2-) ligands, generating a two-dimensional bilayered structure with a 3(6)4(13)6(2) topology. The bilayered structures are further extended to form a three-dimensional supramolecular architecture via a combination of hydrogen-bonding and aromatic stacking interactions.

μ-1,2-Bis(diphenylphosphinoethane-κ2P:P′-bis{[1,2-bis(diphenylphosphinoethane-κ2P,P′]bromidocopper(I} acetone disolvate

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Wen-Juan Shi

2008-10-01

Full Text Available In the crystal structure of the title compound, [Cu2Br2(dppe3]·2CH3COCH3 [dppe is 1,2-bis(diphenylphosphinoethane, C26H24P2], the two Cu centers are bridged by a dppe ligand and each metal center carries one chelating dppe unit, with the fourth coordination site available for the Br− anion. The molecule is centrosymmetric, with the center of symmetry located between the methylene C atoms of the bridging dppe ligand. The crystal structure is stabilized by intramolecular C—H...Br hydrogen bonds and intermolecular π–π interactions, with a centroid-to-centroid distance of 3.2055 (1 Å.

Di-μ-chlorido-bis{[μ-1,8-bis(diisopropylphosphanyl-9,10-dihydro-9,10-ethanoanthracene-κ2P:P′]-μ-chlorido-μ-methylidene-dipalladium(II} tetrahydrofuran pentasolvate

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Thomas Schnetz

2010-04-01

Full Text Available The title compound, [Pd4(CH22Cl4(C28H40P22]·5C4H8O, possesses a tetranuclear palladium core with four bridging chlorido ligands and two bridging methylene units, as well as two bridging anthracene-based bis-phosphine ligands. This tetranuclear complex can be considered as being composed of two μ-chlorido-bridged LPd2 units. The structural motif of these LPd2 units shows two doubly bridged palladium centers between the P atoms of the bis-phosphine ligand. One of these bridges is a μ-Cl atom, the other a μ-methylene group. The coordination environment around each palladium center is essentially square planar. We ascribe the oxidation state +II to the palladium centers and do not assume Pd—Pd bonds [shortest distances 2.8110 (5 and 2.8109 (6 Å]. Co-crystallized with the palladium complex we found five non-coordinating tetrahydrofuran solvent molecules, one of which is disordered over two positions in a 0.429 (9:0.571 (8 ratio.

Three d10 coordination polymers assembled from 3,5-bis(imidazole-1-yl)pyridine and different polycarboxylates: Syntheses, structures and luminescence properties

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Pan, Jie; Zhang, Di; Xue, Zhen-Zhen; Wei, Li; Han, Song-De; Wang, Guo-Ming

2017-11-01

Three novel Zn(II)/Cd(II) coordination polymers, [Cd2(bip)2(m-bdc)2(H2O)2·3H2O]n (1), [Zn2(bip)2(p-bdc)2·2.5H2O]n (2) and [Zn(bip) (p-bdc)·3H2O]n (3), where bip = 3,5-bis(imidazole-1-yl)pyridine, m-H2bdc = 1,3-benzenedicarboxylic acid, p-H2bdc = 1,4-benzenedicarboxylic acid, have been successfully synthesized under solvothermal conditions. The linkage of different ligands with Cd(II) ions in compound 1 affords a (3,5)-connected layer. Furthermore, 2D→3D parallel polycatenation occurs wherein the layers are polycatenated with the adjacent two parallel layers to form a 3D framework. In 2 and 3, the polycarboxylates act as pillars to combine the metal-bip chains, yielding the layered structures. These 2D networks are extended to the final 3D supramolecular architectures by π-π stacking interactions. The results show that bip can act as a versatile building block for the construction of various coordination polymers. Moreover, the fluorescent properties of 1-3 in the solid state at room temperature have been investigated.

Bis[1,3-bis(2,4,6-trimethylphenyl-2,3-dihydro-1H-imidazol-2-ylidene]dinitrosyl(tetrahydroborato-κ2H,H′tungsten(0

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Heinz Berke

2011-01-01

Full Text Available In the title paramagnetic 19-electron neutral complex, [W(BH4(C21H24N22(NO2], the W(0 atom is coordinated by two 1,3-bis(2,4,6-trimethylphenylimidazol-2-ylidene (IMes carbene ligands, two NO groups and two H atoms of an η2-tetrahydroborate ligand. Depending on the number of coordination sites (n assigned to the BH4− ligand, the coordination geometry of the W atom may either be described as approximately trigonal–bipyramidal (n = 1 or as very distorted octahedral with the bridging H atoms filling two coordination positions (n = 2. In the latter case, the coplanar NO groups and bridging H atoms (r.m.s. deviation = 0.032 Å form one octahedral plane, with mutually trans-oriented carbene ligands. In the crystal, molecules are connected via C—H...O interactions.

Crystal structure of a two-dimensional grid-type iron(II coordination polymer: poly[[diaquatetra-μ-cyanido-diargentate(Iiron(II] trans-1,2-bis(pyridin-2-ylethylene disolvate

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Jintana Othong

2014-08-01

Full Text Available In the title compound, {[Ag2Fe(CN4(H2O2]·2C12H10N2}n, the asymmetric unit contains one FeII cation, two water molecules, two dicyanidoargentate(I anions and two uncoordinating 1,2-bis(pyridin-2-ylethylene (2,2′-bpe molecules. Each FeII atom is six-coordinated in a nearly regular octahedral geometry by four N atoms from dicyanidoargentate(I bridges and two coordinating water molecules. The FeII atoms are bridged by dicyanidoargentate(I units to give a two-dimensional layer with square-grid spaces. The intergrid spaces with interlayer distance of 6.550 (2 Å are occupied by 2,2′-bpe guest molecules which form O—H...N hydrogen bonds to the host layers. This leads to an extended three-dimensional supramolecular architecture. The structure of the title compound is compared with some related compounds containing dicyanidoargentate(I ligands and N-donor organic co-ligands.

Bis[μ-1,3-bis(diphenylphosphanylpropane-κ2P:P′]digold(I tetrachloridonickelate(II diethyl ether monosolvate

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Asako Igashira-Kamiyama

2013-06-01

Full Text Available The title compound, [Au2(C27H26P22][NiCl4]·C4H10O, consists of a digold(I complex cation, an [NiCl4]2− complex anion and a diethyl ether solvent molecule. Two 1,3-bis(diphenylphosphanylpropane (dppp ligands bridge two AuI atoms, forming a metallacycle in which each of the AuI atoms is coordinated in a slightly distorted linear environment by two P atoms. In the complex anion, the NiII atom is coordinated by four chloride ligands in a distorted tetrahedral geometry. The complex cation and the complex anion form a cation–anion pair through two Au...Cl contacts of 3.040 (1 and 3.021 (2 Å. One of the phenyl groups of the dppp ligand is disordered over two positions with equal occupancies.

Synthesis and X-Ray Crystal Structures of Mononuclear Complexes of 1,3-Bis(8-quinolyloxy)propane

International Nuclear Information System (INIS)

Al-Mandhary, M.R.; Steel, P.

2002-01-01

The preparations and X-ray crystal structures of the first transition metal complexes of 1,3-bis(8-quinolyloxy)propane are described. The ligand acts as a trans-chelating N,N'-bidentate ligand in the three-coordinate silver nitrate complex and four-coordinate copper chloride complex, but as an N,O,O',N'-tetradentate ligand in the octahedral nickel chloride complex. Copyright (2002) CSIRO Australia

Neutral coordination polymers based on a metal-mono(dithiolene) complex: synthesis, crystal structure and supramolecular chemistry of [Zn(dmit)(4,4'-bpy)]n, [Zn(dmit)(4,4'-bpe)]n and [Zn(dmit)(bix)]n (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene, bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.

Science.gov (United States)

Madhu, Vedichi; Das, Samar K

2011-12-28

This article describes a unique synthetic route that enables a neutral mono(dithiolene)metal unit, {Zn(dmit)}, to link with three different organic molecules, resulting in the isolation of a new class of neutral coordination polymers. The species {Zn(dmit)} coordinates with 4,4'-bipyridine (4,4'-bpy), trans-1,2-bis(4-pyridyl)ethene (4,4'-bpe) and 1,4-bis(imidazole-1-ylmethyl)-benzene (bix) as linkers giving rise to the formation of coordination polymers [Zn(dmit)(4,4'-bpy)](n) (1), [Zn(dmit)(4,4'-bpe)](n) (2) and [Zn(dmit)(bix)](n) (3) respectively. Compounds 1-3 were characterized by elemental analyses, IR, diffuse reflectance and single crystal X-ray diffraction studies. Compounds 1 and 3 crystallize in the monoclinic space group P2(1)/n, whereby compound 2 crystallizes in triclinic space group P1[combining macron]. In the present study, we chose three linkers 4,4'-bpy, 4,4'-bpe and bix (see , respectively, for their structural drawings), that differ in terms of their molecular dimensions. The crystal structures of compounds 1-3 are described here in terms of their supramolecular diversities that include π-π interactions, not only among aromatic stacking (compounds 1 and 3), but also between an aromatic ring and an ethylenic double bond (compound 2). The electronic absorption spectroscopy of compounds 1-3 support these intermolecular π-π interactions. This journal is © The Royal Society of Chemistry 2011

A two-dimensional CdII coordination polymer: poly[diaqua[μ3-5,6-bis(pyridin-2-ylpyrazine-2,3-dicarboxylato-κ5O2:O3:O3,N4,N5]cadmium

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Monserrat Alfonso

2016-09-01

Full Text Available The reaction of 5,6-bis(pyridin-2-ylpyrazine-2,3-dicarboxylic acid with cadmium dichloride leads to the formation of the title two-dimensional coordination polymer, [Cd(C16H8N4O4(H2O2]n. The metal atom is sevenfold coordinated by one pyrazine and one pyridine N atom, two water O atoms, and by two carboxylate O atoms, one of which bridges two CdII atoms to form a Cd2O2 unit situated about a centre of inversion. Hence, the ligand coordinates to the cadmium atom in an N,N′,O-tridentate and an O-monodentate manner. Within the polymer network, there are a number of O—H...O hydrogen bonds present, involving the water molecules and the carboxylate O atoms. There are also C—H...N and C—H...O hydrogen bonds present. In the crystal, the polymer networks lie parallel to the bc plane. They are aligned back-to-back along the a axis with the non-coordinating pyridine rings directed into the space between the networks.

40 CFR 721.1630 - 1,2-Ethanediol bis(4-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate...

Science.gov (United States)

2010-07-01

...-methylbenzenesulfonate); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2â²-[oxybis(2,1-ethanediyl oxy)]bis-, bis(4-methylbenzenesulfonate); ethanol, 2,2â²-[oxybis (2,1-ethane diyloxy)] bis-, bis(4...); 2,2-oxybis-ethane bis(4-methylbenzenesulfonate); ethanol, 2,2′-[oxybis(2,1-ethanediyl oxy)]bis-, bis...

Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations.

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Joseph, Lynnette; Sajan, D; Chaitanya, K; Isac, Jayakumary

2014-03-25

The conformational behavior and structural stability of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene (TDBE) were investigated by using density functional theory (DFT) method with the B3LYP/6-311++G(d,p) basis set combination. The vibrational wavenumbers of TDBE were computed at DFT level and complete vibrational assignments were made on the basis of normal coordinate analysis calculations (NCA). The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compound. The infrared and Raman spectra were also predicted from the calculated intensities. The observed Fourier transform infrared (FTIR) and Fourier transform (FT) Raman vibrational wavenumbers were analyzed and compared with the theoretically predicted vibrational spectra. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Copyright © 2013 Elsevier B.V. All rights reserved.

Self-Assembly of Coordinative Supramolecular Polygons with Open Binding Sites.

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Zheng, Yao-Rong; Wang, Ming; Kobayashi, Shiho; Stang, Peter J

2011-04-27

The design and synthesis of coordinative supramolecular polygons with open binding sites is described. Coordination-driven self-assembly of 2,6-bis(pyridin-4-ylethynyl)pyridine with 60° and 120° organoplatinum acceptors results in quantitative formation of a supramolecular rhomboid and hexagon, respectively, both bearing open pyridyl binding sites. The structures were determined by multinuclear ((31)P and (1)H) NMR spectroscopy and electrospray ionization (ESI) mass spectrometry, along with a computational study.

Biochemical characterization of propylglyoxal bis(guanylhydrazone). Facile synthesis of monoalkylglyoxal bis(guanylhydrazones).

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Elo, H; Laine, R; Alhonen-Hongisto, L; Jänne, J; Mutikainen, I; Lumme, P

1985-01-01

Propylglyoxal bis(guanylhydrazone) sulfate, a novel analog of the well-known antileukemic drug methylglyoxal bis(guanylhydrazone), has been prepared from 2,2-dibromopentanal, and the compound has been characterized biochemically. Although it is a powerful inhibitor of S-adenosylmethionine decarboxylase, its Ki value (0.2 microM) is considerably higher than that of ethylglyoxal bis(guanylhydrazone) (0.06 microM). The compound is only poorly taken up by tumor cells, and its accumulation is not stimulated by a prior exposure of the tumor cells to difluoromethylornithine, a compound that causes polyamine depletion. Thus, the uptake characteristics of the compound are similar to those of ethylglyoxal bis(guanylhydrazone), but in striking contrast to those of methylglyoxal and glyoxal bis(guanylhydrazones). Since the configuration of the double bonds in glyoxal, methylglyoxal and propylglyoxal bis(guanylhydrazones) has been shown to be identical, the different uptake characteristics are probably only due to differences in side chain size and/or hydrophobicity.

[μ-1,2-Bis(diphenylphosphinoethane-κ2P:P′]bis{[1,2-bis(diphenylphosphinoethane-κ2P,P′]cyanidocopper(I} methanol disolvate

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Rong Wang

2010-08-01

Full Text Available The title centrosymmetric complex, [Cu2(CN2(C26H24P23]·2CH3OH, consists of two five-membered [Cu(dppeCN] rings [dppe is 1,2-bis(diphenylphosphinoethane] bridged by one μ2-dppe ligand, and two methanol solvent molecules. The angles around the central metal atom indicate that each CuI atom is located in the center of a distorted tetrahedron. The coordination sphere of each CuI atom is formed by three P atoms from two dppe ligands, and one C atom from the cyanide ligand. The crystal structure is stabilized by O—H...N hydrogen bonds, which are formed by the O—H donor group from methanol and the N-atom acceptor from a cyanide ligand.

Heterobimetallic gadolinium(III)-iron(III) complex of DTPA-bis(3-hydroxytyramide)

International Nuclear Information System (INIS)

Parac-Vogt, Tatjana N.; Kimpe, Kristof; Binnemans, Koen

2004-01-01

A derivative of diethylenetriamine-N,N,N',N'',N''-pentaacetic acid (DTPA), carrying two catechol functional groups has been synthesised by the reaction between DTPA-bis(anhydride) and 3-hydroxytyramine (dopamine). The ligand DTPA-bis(3-hydroxytyramide), [DTPA(HTA) 2 ], is able to form stable heterobimetallic complexes with gadolinium(III) and iron(III) ions. The gadolinium(III) occupies the internal coordination cage of DTPA formed by three nitrogens, two carboxylate and two amide oxygens, while the [Fe(NTA)(H 2 O) 2 ] (nitrilotriacetic acid, NTA) binds to catechol units by the substitution of two water ligands. The formation of polymeric species was avoided by using the tripodal NTA ligand. The heterobimetallic complex was characterised by means of visible absorption spectroscopy, electron spray ionisation-mass spectrometry (ESI-MS), and nuclear magnetic resonance (NMR) spectroscopy

Coordination Polymers of N, Nʼ-di-(8-Hydroxyquinolinolyl- 5-methyl-N, N-diethyl-1,3-propane diamine (QEPD

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Asha D. Patel

2010-01-01

Full Text Available Coordination polymers containing a novel bis(oxine bidentate ligand, namely N,Nʼ-di(8-hydroxyquinolinolyl-5-methyl-N,Nʼ-diethyl-1,3-propane diamine (QEPD have been prepared with the metal ions Zn(II, Cu(II, Ni(II, Co(II and Mn(II. The novel bis-(bidentate ligand was synthesized by condensation of 5-chloromethyl-8-hydroxyquinoline hydrochloride with N,Nʼ-diethyl-1,2- propane diamine in the presence of a base catalyses. All of these coordination polymers and the parent ligand were characterized by elemental analyses, IR spectral and diffuse reflectance spectral studies. The thermal stability and number- average molecular weights (Mn¯ of all of the coordination polymers were determined by thermogravimetric analyses and non-aqueous conductometric titrations, respectively. In addition, all of the coordination polymers have been characterized by their magnetic susceptibilities.

Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.

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David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan

2013-02-21

Three symmetrical methylene-bis[(aminomethyl)phosphinic acids] bearing different substituents on the central carbon atom, (NH(2)CH(2))PO(2)H-C(R(1))(R(2))-PO(2)H(CH(2)NH(2)) where R(1) = OH, R(2) = Me (H(2)L(1)), R(1) = OH, R(2) = Ph (H(2)L(2)) and R(1),R(2) = H (H(2)L(3)), were synthesized. Acid-base and complexing properties of the ligands were studied in solution as well as in the solid state. The ligands show unusually high basicity of the nitrogen atoms (log K(1) = 9.5-10, log K(2) = 8.5-9) if compared with simple (aminomethyl)phosphinic acids and, consequently, high stability constants of the complexes with studied divalent metal ions. The study showed the important role of the hydroxo group attached to the central carbon atom of the geminal bis(phosphinate) moiety. Deprotonation of the hydroxo group yields the alcoholate anion which tends to play the role of a bridging ligand and induces formation of polynuclear complexes. Solid-state structures of complexes [H(2)N=C(NH(2))(2)][Cu(2)(H(-1)L(2))(2)]CO(3)·10H(2)O and Li(2)[Co(4)(H(-1)L(1))(3)(OH)]·17.5H(2)O were determined by X-ray diffraction. The complexes show unexpected geometries forming dinuclear and cubane-like structures, respectively. The dinuclear copper(II) complex contains a bridging μ(2)-alcoholate group with the (-)O-P(=O)-CH(2)-NH(2) fragments of each ligand molecule chelated to the different central ion. In the cubane cobalt(II) complex, one μ(3)-hydroxide and three μ(3)-alcoholate anions are located in the cube vertices and both phosphinate groups of one ligand molecule are chelating the same cobalt(II) ion while each of its amino groups are bound to different neighbouring metal ions. All such three metal ions are bridged by the alcoholate group of a given ligand.

A simple coordination complex exhibiting colour change on slight ...

Indian Academy of Sciences (India)

Administrator

structure analysis. In 1979, Grenthe and co-worker. reported thermochromism of bis(NN-diethylethane-. 1,2-diamine) copper(II) perchlorate on the basis of ... ture was allowed to cool when white solid KCl sepa- rated out and it was .... A simple coordination complex exhibits colour change on slight structural modification. 733.

Dinuclear Cu(II) complexes of isomeric bis-(3-acetylacetonate)benzene ligands: synthesis, structure, and magnetic properties.

Science.gov (United States)

Rancan, Marzio; Dolmella, Alessandro; Seraglia, Roberta; Orlandi, Simonetta; Quici, Silvio; Sorace, Lorenzo; Gatteschi, Dante; Armelao, Lidia

2012-05-07

Highly versatile coordinating ligands are designed and synthesized with two β-diketonate groups linked at the carbon 3 through a phenyl ring. The rigid aromatic spacer is introduced in the molecules to orient the two acetylacetone units along different angles and coordination vectors. The resulting para, meta, and ortho bis-(3-acetylacetonate)benzene ligands show efficient chelating properties toward Cu(II) ions. In the presence of 2,2'-bipyridine, they promptly react and yield three dimers, 1, 2, and 3, with the bis-acetylacetonate unit in bridging position between two metal centers. X-ray single crystal diffraction shows that the compounds form supramolecular chains in the solid state because of intermolecular interactions. Each of the dinuclear complexes shows a magnetic behavior which is determined by the combination of structural parameters and spin polarization effects. Notably, the para derivative (1) displays a moderate antiferromagnetic coupling (J = -3.3 cm(-1)) along a remarkably long Cu···Cu distance (12.30 Å).

Hexaaquabis[3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanido-κ2N3,O4]barium tetrahydrate

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Nguyen Dinh Do

2013-11-01

Full Text Available In the title compound, [Ba(C7H5N2O52(H2O6]·4H2O, the Ba2+ cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanide oxo O atoms [Ba—O = 2.8715 (17 Å], two hydroxyimino N atoms [Ba—N = 3.036 (2 Å], and six water molecules [Ba—O = 2.847 (2, 2.848 (2, and 2.880 (2 Å]. The 3,5-bis(hydroxyimino-1-methyl-2,4,6-trioxocyclohexanide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hydroxyimino group and an O atom of the neighboring oxo group. Two lattice water molecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water molecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.

Coordination chemistry with phosphine and phosphine oxide-substituted hydroxyferrocenes.

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Atkinson, Robert C J; Gibson, Vernon C; Long, Nicholas J; White, Andrew J P

2010-08-28

New unsymmetrical hydroxyferrocenes were synthesised from dibromoferrocene. The oxygen heteroatom was introduced via lithiation and quenching with bis-trimethylsilylperoxide followed by hydrolysis to unmask the hydroxyl functionality. The coordination chemistry of 1'-(diphenylphosphino)-1-hydroxyferrocene 2 was explored with palladium and rhodium precursors. A dinuclear palladium methyl complex with bridging ferrocenyloxo groups was obtained from the reaction between 2 and (cyclooctadiene)methylchloropalladium(II). With tetracarbonyldichlorodirhodium(I), two complexes were isolated. The major product was a bis ligand cis phosphine ligated complex with one ligand bound in a chelating mode and one with a pendant hydroxyl group. A minor product was crystallographically characterised as a dinuclear ferrocenyloxo-bridged rhodium carbonyl complex. The coordination chemistry of 2 and the corresponding phosphine oxide 3 was examined with group 4 metals and the resulting complexes examined as ethylene polymerisation catalysts. The ligands were found to bind in either a chelating fashion or with pendant phosphine donors. In all cases, low to moderately active ethylene polymerisation catalysts were found. The catalysts were very unstable and catalyst residues were observed in the isolated polymer indicating a short catalyst lifetime.

Occurrence and formation of endogenous histidine hexa-coordination in cold-adapted hemoglobins.

Science.gov (United States)

Merlino, Antonello; Howes, Barry D; Prisco, Guido di; Verde, Cinzia; Smulevich, Giulietta; Mazzarella, Lelio; Vergara, Alessandro

2011-05-01

Spectroscopic and crystallographic evidence of endogenous (His) ligation at the sixth coordination site of the heme iron has been reported for monomeric, dimeric, and tetrameric hemoglobins (Hbs) in both ferrous (hemochrome) and ferric (hemichrome) oxidation states. In particular, the ferric bis- histidyl adduct represents a common accessible ordered state for the β chains of all tetrameric Hbs isolated from Antarctic and sub-Antarctic fish. Indeed, the crystal structures of known tetrameric Hbs in the bis-His state are characterized by a different binding state of the α and β chains. An overall analysis of the bis-histidyl adduct of globin structures deposited in the Protein Data Bank reveals a marked difference between hemichromes in tetrameric Hbs compared to monomeric/dimeric Hbs. Herein, we review the structural, spectroscopic and stability features of hemichromes in tetrameric Antarctic fish Hbs. The role of bis-histidyl adducts is also addressed in a more evolutionary context alongside the concept of its potential physiological role. Copyright © 2011 Wiley Periodicals, Inc.

Bonding coordination requirements induce antiferromagnetic coupling between m-phenylene bridged o-iminosemiquinonato diradicals.

Science.gov (United States)

Dei, Andrea; Gatteschi, Dante; Sangregorio, Claudio; Sorace, Lorenzo; Vaz, Maria G F

2003-03-10

Triply bridged bis-iminodioxolene dinuclear metal complexes of general formula M(2)(diox-diox)(3), with M = Co, Fe, have been synthesized using the bis-bidentate ligand N,N'-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,3-phenylenediamine. These complexes were characterized by means of X-ray, HF-EPR, and magnetic measurements. X-ray structures clearly show that both complexes can be described as containing three bis-iminosemiquinonato ligands acting in a bis-bidentate manner toward tripositive metal ions. The magnetic data show that both of these complexes have singlet ground states. The observed experimental behavior indicates the existence of intraligand antiferromagnetic interactions between the three pairs of m-phenylene units linked iminosemiquinonato radicals (J = 21 cm(-)(1) for the cobalt complex and J = 11 cm(-)(1) for the iron one). It is here suggested that the conditions for the ferromagnetic coupling that is expected to characterize the free diradical ligand are no longer satisfied because of the severe torsional distortion induced by the metal coordination.

Yttrium and lanthanide nitrate complexes of N,N1-bis(4-antipyryl methylidene) ethylenediamine

International Nuclear Information System (INIS)

Joseph, Siby; Radhakrishnan, P.K.

1998-01-01

Complexes of yttrium and lanthanide nitrates with a Schiff base, N, N 1 -bis(4-antipyrylmethylidene)ethylenediamine (BAME) having the general formula [Ln(BAME) 2 (NO 3 )](NO 3 ) 2 , where Ln = Y, La, Pr, Nd, Sm, Eu, Gd, Dy, Ho and Er have been synthesised and characterised by elemental analyses, molar conductance in non-aqueous solvents, electronic, infrared and proton NMR spectra. BAME acts as a neutral bidentate ligand coordinating through both azomethine nitrogen atoms. One of the nitrate groups is coordinated in a bidentate manner. A coordination number of six may be assigned to the metal ion in these complexes. The covalency parameters evaluated from the solid state electronic spectra suggest weak covalent character of the metal-ligand bond. (author)

Photochemical and electrochemical studies on lanthanide complexes of 6-(hydroxymethylpyridine- 2-carboxaldehyde[2- methyl-pyrimidine-4,6-diyl] bis-hydrazone

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María Alejandra Fernandez

2014-01-01

Full Text Available Herein we report the synthesis of the 6-(hydroxymethylpyridine-2- carboxaldehyde[2-methyl-pyrimidine- 4,6-diyl]bis-hydrazone by a condensation reaction between 6-(hydroxymethyl picolinaldehyde with 4,6-(bis-hydrazino-2- methylpyrimidine. This bis-hydrazone can be visualized as a two-arm system which exhibits photochemical induced [E,E]/[E,Z]/[Z,Z’] isomerizations and double coordination to metal centers. Configurational changes, upon UV light irradiation, were followed over time by 1 H NMR, establishing that isomerization, in both arms, is a consecutive reaction that follows first-order kinetics (k1 = 4.06 x 10-4 s-1 and k2 = 2.80 x 10-4 s-1. Furthermore, the synthesis of bis-hydrazone metal complexes with La (III and Sm (III ions was achieved; subsequently, the absorption and emission properties of these complexes were studied, determining the fluorescence quantum yields, La= 0.2024 and Sm= 0.1413. Electrochemical studies of the complexes were conducted by square wave voltammetry, demonstrating that the bis-hydrazone and its complexes are electroactive species between +1.5 and -2.5 V.

Diaqua[N,N′-bis(2-pyridylmethylenepropane-1,3-diamine]manganese(II dibromide–aquabromido[N,N′-bis(2-pyridylmethylenepropane-1,3-diamine]manganese(II bromide–dibromido[N,N′-bis(2-pyridylmethylenepropane-1,3-diamine]manganese(II (1/2/1

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In-Chul Hwang

2009-01-01

Full Text Available There are three different MnII complexes in the asymmetric unit of the title compound, [Mn(C15H16N4(H2O2]Br2·2{[MnBr(C15H16N4(H2O]Br}·[MnBr2(C15H16N4]. In the neutral complex, the Mn2+ ion is six-coordinated in a distorted octahedral environment by four N atoms of the tetradentate ligand N,N′-bis(2-pyridylmethylenepropane-1,3-diamine (bppd and two bromide ligands. In the two cationic complexes, the Mn2+ ions are also six-coordinated in similar environments, but one Mn ion is coordinated by four N atoms of bppd, one Br atom and one O atom of a coordinating water molecule, whereas the other Mn ion is coordinated by four N atoms of bppd and two O atoms of water ligands. The complexes with two coordinated Br atoms or two H2O ligands are disposed about a twofold axis through Mn and C atoms with the special positions ({script{1over 2}}, y, 0 and (0, y, {script{1over 2}}, respectively. The compound displays intermolecular O—H...Br hydrogen bonding. There are intermolecular π–π interactions between adjacent pyridine rings, with centroid–centroid distances of 3.822 and 3.833 Å, and a C—H...O interaction is also present.

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

Science.gov (United States)

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

2013-06-07

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

[μ-N,N′-Bis(2-aminoethylethane-1,2-diamine-κ4N1,N1′:N2,N2′]bis{[N,N′-bis(2-aminoethylethane-1,2-diamine-κ4N,N′,N′′,N′′′]cadmium} tetrakis(perchlorate

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Hamid Goudarziafshar

2012-09-01

Full Text Available The centrosymmetric dinuclear cadmium title complex, [Cd2(C6H18N43](ClO44, was obtained by the reaction of N,N′-bis(2-aminoethylethane-1,2-diamine (trien with Cd(NO32·4H2O and sodium perchlorate in methanol. The CdII cation is coordinated by four N atoms of a non-bridging trien ligand and by two N atoms of a bridging trien ligand in a slightly distorted octahedral coordination geometry. The bridging ligand shares another two N atoms with a neighboring symmetry-equivalent CdII cation. The structure displays C—H...O and N—H...O hydrogen bonding. The perchlorate anion is disordered over two sets of sites in a 0.854 (7: 0.146 (7 ratio.

Crystal Structure of N,N-bis-(3-Carbomethoxy-5-methyl-pyrazol-1-ylmethylaniline

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Taibi Ben-Hadda

2002-09-01

Full Text Available The tripodal ligand N,N-bis-(3-carbomethoxy-5-methylpyrazol-1-ylmethyl aniline (2 has been prepared by the condensation of aniline with two equivalents of N-hydroxymethyl[3-carbomethoxy-5-methyl]pyrazole. The molecule consists of two structurally analogous 3-carbomethoxy-5-methylpyrazol-1-ylmethyl moieties, which adopt a transoidal conformation via a central aniline ring, suggesting that this tripodal ligand is highly flexible and could accommodate many metals by coordination.

Poly[[[diisothiocyanatocobalt(II]-bis[μ-4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol

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2009-03-01

Full Text Available In the title compound, {[Co(NCS2(C16H20N6O2]·2C3H7NO·2H2O}n, each CoII ion located on an inversion center is six-coordinated by four equatorial N atoms from four different 4-tert-butyl-2,6-bis(1,2,4-triazol-1-ylmethylphenol (L ligands, and by two N atoms from two axial thiocyanate anions [Co—N = 2.104 (3–2.144 (3 Å]. The metal centres are connected via the bidentate L ligands into two-dimensional polymeric layers parallel to bc plane. The dimethylformamide and solvent water molecules participate in intermolecular O—H...O and O—H...S hydrogen bonds, which consolidate the crystal packing.

Microwave assisted synthesis of bis and tris(ω-bromoacetophenones): versatile precursors for novel bis(imidazo[1,2-a]pyridines), bis(imidazo[1,2-a]pyrimidines) and their tris-analogs

Science.gov (United States)

2013-01-01

Background α-Bromination of the side chain of aromatic ketones using NBS in the presence of p-toluenesulfonic acid (p-TsOH) in acetonitrile is very common. However, regioselective bromination of bis and tris(ω-bromoacetophenones) with NBS in the presence of p-TsOH in acetonitrile under microwave irradiation is quite novel. The bis- and tris(ω-bromoacetophenones) are used in synthesis of bis and tris(heterocycles). bis(heterocycles) have received a great deal of attention, because many biologically active natural and synthetic products have molecular symmetry. The use of the pressurized microwave irradiation is very advantageous to many syntheses and provide a large rate enhancement. Results Bis and tris(ω-bromoacetophenones) were obtained as single monobrominated derivatives in a shorter time than the conventional conditions. The results clearly demonstrate the better reactivity and selectivity of NBS/p-TsOH/CH3CN as a brominating mixture under microwave conditions. The reaction of bis and tris(ω-bromoacetophenone) with 2-aminopyridine and 2-aminopyrimidine proceeded smoothly in a mixture of anhydrous ethanol and DMF under reflux or using 300 W/105°C/ 20 min microwave irradiation conditions to afford the corresponding bis(imidazo[1,2-a]pyridine), bis(imidazo[1,2-a]pyrimidine) and tris(imidazo[1,2-a]pyridine) derivatives in moderate to excellent yields. The carbonyl analogue of the targeted bis(imidazopyridines) could be synthesized by the reaction of N,N-dimethyl-N'-(pyridin-2-yl)formimidamide with bis(ω-bromoacetophenone) in refluxing ethanol. The structures of the newly synthesized compounds were confirmed by their spectral data as well as their elemental analyses. Conclusion In conclusion, selective α-bromination of bis- and tris(acetophenones) has been accomplished efficiently utilizing NBS/p-TsOH/CH3CN under microwave irradiation. In addition, a facile synthesis of novel series of bis- and tris(imidazopyridine) and bis(imidazopyrimidine) derivatives

Efficient white organic light-emitting devices using a thin 4,4'-bis(2,2'-diphenylvinyl)-1,1'-diphenyl layer

International Nuclear Information System (INIS)

Wang Jun; Yu Junsheng; Li Lu; Tang Xiaoqing; Jiang Yadong

2008-01-01

White organic light-emitting devices (OLEDs) were fabricated using phosphorescent material bis[2-(4-tert-butylphenyl)benzothiazolato-N,C 2' ]iridium (acetylacetonate) [(t-bt) 2 Ir(acac)] doped in 4,4'-bis(carbazol-9-yl) biphenyl (CBP) matrix as a yellow light-emitting layer and a thin layer 4,4'-bis(2,2'-diphenylvinyl)-1,1'-diphenyl (DPVBi) as the blue light-emitting layer. The light colour of the OLEDs can be adjusted by changing doped concentration and the thickness of the DPVBi thin layer. The maximum luminance and power efficiency of 5% doped device reached 15 460 cd m -2 and 8.1 lm W -1 , respectively. The 3% doped device showed the CIE coordinates of (0.344, 0.322) at 8 V and a maximum power efficiency of 5.7 lm W -1 at 4.5 V

Bis[2-(1,3-benzothiazol-2-ylphenyl-κ2C1,N][1,3-bis(4-bromophenylpropane-1,3-dionato-κ2O,O′]iridium(III

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Sung Kwon Kang

2013-08-01

Full Text Available The title complex, [Ir(C15H9Br2O2(C13H8NS2], lies about a crystallographic twofold rotation axis passing through the IrIII atom and the central C atom of the bis(bromophenylpropane-1,3-dionate ligand. The IrIII atom adopts a distorted octahedral geometry coordinated by two N atoms in the axial positions, and two C and two O atoms in the equatorial plane. The dihedral angle between the two thiazole ring systems in the complex is 77.45 (10°.

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Synthesis, crystal structure and properties of [Co(L2](ClO42 (L=1,3-bis(1H-benzimidazol-2-yl-2-oxapropane

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Tavman Aydin

2015-01-01

Full Text Available The reaction of 1,3-bis(1H-benzimidazol-2-yl-2-oxapropane (L with Co(ClO42•6H2O in absolute ethanol produces di[1,3-bis(1H-benzimidazol-2-yl-2-oxapropane-k2N,N’]cobalt(IIdiperchlorate chelate complex ([Co(L2](ClO42, 1. The complex 1 was characterized by elemental analysis, magnetic moment, molar conductivity, thermogravimetric analysis, FT-IR, UV-visible, mass spectrometry, and its solid state structure was determined by single crystal X-ray diffraction. According to the thermogravimetric analysis data, there is no any water coordinated or uncoordinated in 1 as well as elemental analysis. The complex 1 has 1:2 M:L ionic characteristic according to the molar conductivity. In the complex, the distances between the cobalt and the ethereal oxygen atoms (Co1-O2: 2.805(3; Co2-O1: 2.752(2 Å show the semi-coordination bonding and the Co(II ion is six-coordinated with a N4O2 ligand set, resulting in a distorted octahedron.

Coordination-induced formation of nanometer-scale infinite coordination polymer at room temperature and conversion to CuO nanoparticles

Science.gov (United States)

Mohammadikish, Maryam; Zafari, Zohreh

2018-03-01

In this work, the construction of CuO nanoparticles semiconductor utilizing infinite coordination polymers (ICPs) as precursor was investigated. After successful functionalization of salpn (salpn = N,N‧-Bis(salicylidene)-1,3-propanediamine) ligand with sodium thioglycolate, bi-thioglycolate functionalized salpn linker was obtained, which was further transformed into Cu-ICP nanoparticles by simple precipitation method in the presence of Cu2+ cations. The mechanism of morphology evolution was illustrated by systematic time dependent studies, which demonstrated the preparation of Cu-ICP nanoparticles in shortest possible time, 5 min. Photoluminescence spectra show the emission quenching of the bi-thioglycolate functionalized salpn linker due to coordination to copper ion. In addition, the copper oxide nanoparticles are fabricated by thermal decomposition of the Cu-ICP precursor which showed larger band gap compared to bulk counterpart.

Synthesis, crystal structure, and spectroscopic characterization of trans-bis[(mu-1,3-bis(4-pyridyl)propane)(mu-(3-thiopheneacetate-O))(3-thiopheneacetate-O)]dicopper(II), [[Cu2(O2CCH2C4H3S)4mu-(BPP)2

Science.gov (United States)

Marinho, Maria Vanda; Yoshida, Maria Irene; Guedes, Kassilio J; Krambrock, Klaus; Bortoluzzi, Adailton J; Hörner, Manfredo; Machado, Flávia C; Teles, Wagner M

2004-02-23

From the reaction between a dinuclear paddle-wheel carboxylate, namely [Cu2mu-(O2CCH2C4H3S)4] (1), and the flexible ligand 1,3-bis(4-pyridyl)propane (BPP) a neutral 2-D coordination polymer [[Cu2(O2CCH2C4H3S)4mu-(BPP)2

Synthesis, Thermal, Electrical and Catalytic Studies of Some Transition Metal Polychelates of Bis-bidentate Schiff Base

Institute of Scientific and Technical Information of China (English)

BANSOD Ashish; ASWAR Anand

2007-01-01

Polychelates of Mn(Ⅱ),Fe(Ⅱ),Co(Ⅱ), Ni(Ⅱ),Cu(Ⅱ),Zn(Ⅱ) and Cd(Ⅱ) with the bis salen-type ligand derivedfrom 4,4'-bis[(salicylaldehyde-5)azo]biphenyl and 1,4-diaminobutane have been synthesized.All the polychelates have been characterized by elemental analysis,magnetic susceptibility measurements,IR,electronic spectra and thermogravimetric studies.All the complexes isolated in solid state are dark coloured and insoluble in water and common organic solvents.The ligand behaves as a bis-bidentate molecule coordinating through the phenolic oxygen and azomethine nitrogen atoms.The thermal decomposition of these metal complexes was investigated by thermogravimetric analysis and data have been analyzed for kinetic parameters using Broido equation.The solid-state electrical conductivity of the ligand and its polychelates in the form of compressed pellet was studied in the temperature range from 313 to 413 K.All the polychelates were found to show semiconducting nature.The Mn(Ⅱ),Fe(Ⅱ),Co(Ⅱ) and Ni(Ⅱ) polychelates have been assessed for the catalytic epoxidation of styrene.

Tris(2,2′-bipyridine-κ2 N,N′)cobalt(III) bis­[bis­(pyridine-2,6-dicarboxyl­ato-κ3 O 2,N,O 6)cobaltate(III)] perchlorate dimethyl­formamide hemisolvate 1.3-hydrate

Science.gov (United States)

Golenya, Irina A.; Boyko, Alexander N.; Kotova, Natalia V.; Haukka, Matti; Iskenderov, Turganbay S.

2012-01-01

In the title compound, [Co(C10H8N2)3][Co(C7H3NO4)2]2(ClO4)·0.5C3H7NO·1.3H2O, the CoIII atom in the complex cation is pseudoocta­hedrally coordinated by six N atoms of three chelating bipyridine ligands. The CoIII atom in the complex anion is coordinated by two pyridine N atoms and four carboxyl­ate O atoms of two doubly deprotonated pyridine-2,6-dicarboxyl­ate ligands in a distorted octa­hedral geometry. One dimethyl­formamide solvent mol­ecule and two water mol­ecules are half-occupied and one water mol­ecule is 0.3-occupied. O—H⋯O hydrogen bonds link the water mol­ecules, the perchlorate anions and the complex anions. π–π inter­actions between the pyridine rings of the complex anions are also observed [centroid–centroid distance = 3.804 (3) Å]. PMID:23125573

Briefwechsel uber die Partikel "bis" (An Exchange of Letters about the Particle "bis").

Science.gov (United States)

Ludwig, Horst; Holschuh, Albrecht

1990-01-01

A discussion, in the form of an animated letter exchange, argues that, contrary to most current grammatical descriptions, the German particle "bis" should not be viewed as a preposition governing the accusative case. Rather, it is demonstrated that "bis" most often occurs as a proclitic adverb. (16 references) (JTC)

Poly[{μ2-1,2-bis[4-(3-pyridylpyrimidin-2-ylsulfanyl]ethane}di-μ2-cyanido-dicopper(I

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Lin Cheng

2008-07-01

Full Text Available The asymmetric unit of the title complex, [Cu2(CN2(C20H16N6S2]n, contains one CuI cation, one cyanide ligand and half of a centrosymmetric 1,2-bis[4-(3-pyridylpyrimidin-2-ylsulfanyl]ethane (bppe ligand. The CuI atom displays a trigonal coordination geometry, being surrounded by one C atom from one cyanide anion and two N atoms from one cyanide and one bppe ligand. In the complex, each cyanide anion links two CuI atoms in a bis-monodentate mode into a zigzag [–Cu—CN–]n chain. Two parallel chains are linked by bppe ligands into a ladder chain.

Facile, novel two-step syntheses of benzimidazoles, bis-benzimidazoles, and bis-benzimidazole-dihydroquinoxalines.

Science.gov (United States)

Xu, Zhigang; Shaw, Arthur Y; Dietrich, Justin; Cappelli, Alexandra P; Nichol, Gary; Hulme, Christopher

2012-02-01

Three scaffolds of benzimidazoles, bis-benzimidazoles, and bis-benzimidazole-dihydroquinoxalines were synthesized via Ugi/de-protection/cyclization methodology. Benzimidazole forming ring closure was enabled under microwave irradiation in the presence of 10% TFA/DCE. The methodology demonstrates the utility of 2-(N-Boc-amino)-phenyl-isocyanide for the generation of new molecular diversity.

Facile, novel two-step syntheses of benzimidazoles, bis-benzimidazoles, and bis-benzimidazole-dihydroquinoxalines

OpenAIRE

Xu, Zhigang; Shaw, Arthur Y.; Dietrich, Justin; Cappelli, Alexandra P.; Nichol, Gary; Hulme, Christopher

2012-01-01

Three scaffolds of benzimidazoles, bis-benzimidazoles, and bis-benzimidazole-dihydroquinoxalines were synthesized via Ugi/de-protection/cyclization methodology. Benzimidazole forming ring closure was enabled under microwave irradiation in the presence of 10% TFA/DCE. The methodology demonstrates the utility of 2-(N-Boc-amino)-phenyl-isocyanide for the generation of new molecular diversity.

The Synthesis of Dicationic Extended Bis-Benzimidazoles

OpenAIRE

Kang, Zhijan; Dykstra, Christine C.; Boykin, David W.

2004-01-01

The synthesis of extended dicationic bis-benzimidazoles starting from trans-1,2-bis(4-cyanophenyl)ethene and trans-1,2-bis(4-cyanophenyl)cyclopropane is reported. The target diamidines show significant in vitro activity against B. subtilis.

Diazido{(S-1-phenyl-N,N-bis[(2-pyridylmethyl]ethanamine}copper(II

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Sankara Rao Rowthu

2011-07-01

Full Text Available In the title compound, [Cu(N32(C20H21N3], the CuII ion is coordinated by the three N atoms of the (S-1-phenyl-N,N-bis[(2-pyridylmethyl]ethanamine ligand and two N atoms from two azide anions, resulting in a distorted square-pyramidal environment. A weak intermolecular C—H...N hydrogen-bonding interaction between one pyridine group of the ligand and an azide N atom of an adjacent complex unit gives a one-dimensional chain structure parallel to the c axis.

Bis(1,3-dithiole) Compounds

DEFF Research Database (Denmark)

Andersen, Jan Rud; Engler, E. M.; Green, D. C.

1977-01-01

There is described the preparation of bis-1,3-dithiole compounds (I) which are key synthetic precursors for the preparation of new polymeric metal bis(dithiolene) (i.e., II) and tetrathiafulvalene compounds (i.e., III): (Image Omitted)...

Efficient and stable single-dopant white OLEDs based on 9,10-bis (2-naphthyl) anthracene

International Nuclear Information System (INIS)

Tao Silu; Peng Zhaokuai; Zhang Xiaohong; Wu Shikang

2006-01-01

Efficient white organic light-emitting diodes (WOLEDs) are fabricated with a thin layer of 9,10-bis (2-naphthyl) anthracene (ADN) doped with Rubrene as the source of white emission. A device with the structure of ITO/NPB (70nm)/ADN: 0.5% Rubrene (30nm)/Alq 3 (50nm)/MgAg shows a maximum current efficiency of 3.7cd/A, with the CIE coordinates of x=0.33, y=0.43. The EL spectrum of the devices and the CIE coordinates remains almost the same when the voltage is increased from 10 to 15V and the current efficiency remains quite stable with the current density increased from 20 to 250mA/cm 2

Hydrothermal synthesis and characterization of a binuclear complex and a coordination

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Reza Mohamadinasab

2010-06-01

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

Syntheses, structures and photoluminescent properties of Zn(Ⅱ)/Co(Ⅱ) coordination polymers based on flexible tetracarboxylate ligand of 5,5′-(butane-1,4-diyl)-bis(oxy)-di isophthalic acid

Energy Technology Data Exchange (ETDEWEB)

Gao, Yan-Peng [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Department of Chemistry and Chemical Engineering, Ordos College of Inner Mongolia University, Ordos 017000 (China); Department of Chemistry and Chemical Engineering, Ordos Applied Technology College, Ordos 017000 (China); Guo, Le [Department of Chemistry and Chemical Engineering, Ordos College of Inner Mongolia University, Ordos 017000 (China); Department of Chemistry and Chemical Engineering, Ordos Applied Technology College, Ordos 017000 (China); Dong, Wei; Jia, Min; Zhang, Jing-Xue; Sun, Zhong [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Chang, Fei, E-mail: ndchfei@imu.edu.cn [Inner Mongolia Key Lab Chem & Phys Rare Earth Mat, College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China)

2016-08-15

Three new mixed-ligand metal-organic frameworks based on 5,5′-(butane-1,4- diyl)-bis(oxy)-diisophthalic acid and transitional metal cations with the help of two ancillary bridging N-donor pyridyl and imidazole linkers, [Zn(L){sub 0.5}(4,4′-bpy)]·2(H{sub 2}O) (1), [M(L){sub 0.5}(bib)]·4(H{sub 2}O) (M = Zn (2), Co (3)), (4,4′-bpy=4,4′–bipyridine, bib=1,4-bis (1H-imidazol-1-yl)-butane), have been synthesized under solvothermal conditions. Their structures and properties were determined by single-crystal and powder X-ray diffraction analyses, IR spectra, elemental analyses and thermogravimetric analyses (TGA). Compounds 1–3 display a 3D 3-fold interpenetrated frameworks linked by the L{sup 4−} ligands, ancillary N-donor linkers and the free water molecules in the crystal lattice. Topological analysis reveals that 1–3 are a (4,4)-connected bbf topology net with the (6{sup 4}·8{sup 2})(6{sup 6}) topology. The effects of the L{sup 4−} anions, the N-donor ligands, and the metal ions on the structures of the coordination polymers have been discussed. Furthermore, luminescence properties and thermogravimetric properties of these compounds were investigated. - Graphical abstract: Three new compounds of MOFs have been prepared and characterized. The luminescence properties and thermogravimetric properties of compounds were investigated. Display Omitted.

catena-Poly[[[diaquacopper(II]-μ-2,2′-{[p-phenylenebis(oxymethylene]bis(pyridinium-3,1-diyl}diacetate] dibromide

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Wei-Cheng Pan

2010-06-01

Full Text Available The title centrosymmetric coordination polymer, {[Cu(C22H20N2O6(H2O2]Br2}n, formed by the reaction of the flexible double betaine ligand 2,2′-{[p-phenylenebis(oxymethylene]bis(pyridine-3,1-diyl}diacetic acid with CuBr2, contains a Cu(II atom (overline1 symmetry which is surrounded by two water molecules and bridged by two anions in a square-planar coordination. In the crystal, polymeric zigzag chains are linked via O—H...Br interactions, forming a two-dimensional network extending parallel to (011.

What a difference a 5f element makes: trivalent and tetravalent uranium halide complexes supported by one and two bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) ligands.

Science.gov (United States)

Cantat, Thibault; Scott, Brian L; Morris, David E; Kiplinger, Jaqueline L

2009-03-02

The coordination behavior of the bis[2-(diisopropylphosphino)-4-methylphenyl]amido ligand (PNP) toward UI3(THF)4 and UCl4 has been investigated to access new uranium(III) and uranium(IV) halide complexes supported by one and two PNP ligands. The reaction between (PNP)K (6) and 1 equiv of UI3(THF)4 afforded the trivalent halide complex (PNP)UI2(4-tBu-pyridine)2 (7) in the presence of 4-tert-butylpyridine. The same reaction carried out with UCl4 and no donor ligand gave [(PNP)UCl3]2 (8), in which the uranium coordination sphere in the (PNP)UCl3 unit is completed by a bridging chloride ligand. When UCl4 is reacted with 1 equiv (PNP)K (6) in the presence of THF, trimethylphosphine oxide (TMPO), or triphenylphosphineoxide (TPPO), the tetravalent halide complexes (PNP)UCl3(THF) (9), (PNP)UCl3(TMPO)2 (10), and (PNP)UCl3(TPPO) (11), respectively, are formed in excellent yields. The bis(PNP) complexes of uranium(III), (PNP)2UI (12), and uranium(IV), (PNP)2UCl2 (13), were easily isolated from the analogous reactions between 2 equiv of 6 and UI3(THF)4 or UCl4, respectively. Complexes 12 and 13 represent the first examples of complexes featuring two PNP ligands coordinated to a single metal center. Complexes 7-13 have been characterized by single-crystal X-ray diffraction and 1H and 31P NMR spectroscopy. The X-ray structures demonstrate the ability of the PNP ligand to adopt new coordination modes upon coordination to uranium. The PNP ligand can adopt both pseudo-meridional and pseudo-facial geometries when it is kappa3-(P,N,P) coordinated, depending on the steric demand at the uranium metal center. Additionally, its hemilabile character was demonstrated with an unusual kappa2-(P,N) coordination mode that is maintained in both the solid-state and in solution. Comparison of the structures of the mono(PNP) and bis(PNP) complexes 7, 9, 11-13 with their respective C5Me5 analogues 1-4 undoubtedly show that a more sterically congested environment is provided by the PNP ligand. The

Individualistic Aptitude and Biofeedback on Improvement of Coordination in Young Athletes

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Saha Srilekha

2015-01-01

Full Text Available Sports cognition encompasses the primary affective-motivational aspect related to primordial fight-or flight responses, which are essentially the precursors for both the BAS (behavioural activation system - the reward system and BIS (behavioural inhibition system- the punishment or fear-eliciting system. In Asian and especially South-Asian perspective, impulsivity and aggressive out-bursts are by and large considered as conduct disorders, thus more acceptable docile tendency in children and pre-adolescent lead them to a cognitive-motivational make-up of BIS orientation. With such a background the present study was carried out to identify the extent of cognitive-affective competence of the skilled competitive players in enhancing bilateral motor coordination required for high sport performance. Eighty-one high performing female ball game players matched with their performance-specific motor coordination ability, were categorised into three differential groups based on their psychobiological competence, viz; Group A- consisted of twenty-seven players diagnosed with moderate level of sympathovagal balance; Group B (N = 27 – consisted of twenty-seven players diagnosed with discordant sympathovagal balance, while Group C (n = 27 were identified as having high sympathovagal balance. Thereafter, players of Group B & C were introduced to training of skin-conductance biofeedback tailored for musculoskeletal enhancement (20 min.s/ day; three days/ week for twelve weeks. Mid-term analyses of motor coordination as well as the post-intervention analyses (carried out after the twelfth week revealed that players having higher sympathovagal balance had higher efficiency in modulation of muscle tension as well as in perceptual –motor adaptation, which have prompted them to have enhanced bilateral and visual-motor coordination compared to their counterparts.

DTPA: Bis benzimidazole as multi model imaging agent

International Nuclear Information System (INIS)

Srivastava, Vikas; Tiwari, A.K.; Sharma, H.; Sharma, R.; Mishra, A.K.

2010-01-01

Full text: The DTPA bis benzimidazole analogue has been tested for radiopharmaceutical efficacy. The radiolabelling was found more then 98% after 8 hrs and blood kinetics was fast. The compound was also tested for optical imaging agent. The Eu 3+ ion has an absorption band in the visible spectrum (578-582 nm) whose wavelength is very sensitive to even small changes in the coordination environment. Although the intensity of this 7F0 → 5D0 transition is low, the bands are relatively narrow, which allows distinguishing different coordination states of the metal. For Eu 3+ complexes which have two differently hydrated forms in aqueous solution, one observes two absorption bands belonging to the two species. High-resolution UV-visible spectra were recorded in aqueous solutions which show a temperature invariant absorption with two distinct, temperature-dependent absorption bands. The intensity ratio of these two bands changes with temperature: the band at shorter wavelengths is decreasing very slightly, while that at longer wavelengths is increasing with the temperature. The ratio of the integrals of the two bands is related to the equilibrium constant, and its temperature dependence yields the reaction enthalpy and entropy

[Cu(I)(bpp)]BF4: the first extended coordination network prepared solvothermally in an ionic liquid solvent.

Science.gov (United States)

Jin, Kun; Huang, Xiaoying; Pan, Long; Li, Jing; Appel, Aaron; Wherland, Scot; Pang, Long

2002-12-07

Use of an ionic liquid [bmim][BF4] (bmim = 1-butyl-3-methylimidazolium) as solvent has resulted in the first extended coordination structure, the two-dimensional network [Cu(bpp)]BF4 [bpp = 1,3-bis(4-pyridyl)propane], produced via a solvothermal route.

Hexafluoridophosphate partial hydrolysis leading to the one-dimensional coordination polymer [{Cu(xantphos)(µ-PO2F2)}n

OpenAIRE

Keller, S.; Brunner, F.; Prescimone, A.; Constable, E. C.; Housecroft, C. E.

2015-01-01

The one-dimensional coordination polymer [{Cu(xantphos)(μ-PO2F2)}n] (xantphos = 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene) is reported, the first extended structure in which copper(I) centres are linked by μ-PO2F2 units.

Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties

Science.gov (United States)

Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei

2018-02-01

Six new copper(II) coordination polymers combining 2,3,5,6-tetrafluoroterephthalatic acid (H2tfBDC) and diverse imidazole-containing ligands, {[Cu(tfBDC)(1,2-bix)2]·2(H2O)}n (1), {Cu(tfBDC)(Im)2}n (2), {[Cu(1,4-bmimb)2(H2O)]·(tfBDC)·2(H2O)}n (3), {Cu(1,4-bimb)2(H2O)2·(tfBDC)}n (4), {[Cu(1,3-bix)2(H2O)2]·(tfBDC)·6(H2O)}n (5) and {[Cu(1,4-bix)2(H2O)2]·(tfBDC)·(1,4-bix)·4(H2O)}n (6) (1,2-bix = 1,2-bis(imidazole-1-ylmethyl)-benzene, Im = imidazole, 1,4-bmimb = 1,4-bis((2-methyl-1H-imidazol-1-yl)methyl)benzene, 1,4-bimb = 1,4-bis(imidazol-1-yl)-butane, 1,3-bix = 1,3-bis(imidazole-1-ylmethyl)-benzene, 1,4-bix = 1,4-bis(imidazole-1-ylmethyl)-benzene), have been obtained and structurally verified by single-crystal X-ray diffraction analyses and further characterized by powder X-ray diffraction (PXRD), elemental analyses and infrared spectroscopy (IR). Single crystal X-ray diffraction analysis revealed that 1 is 2D 4-connected sql topology (point symbol: {44·62}) based on a single metal ion node. Compound 2 is characterized as an infinite 1D chain structure, which is further extended into a 2D layer through N-H···O hydrogen bonds and then a 3D supramolecular architecture via π···π stacking interactions. Note that 2 was prepared through an in situ ligand reaction in which N,N'-carbonyldiimidazole (cdi) broke up into imidazole ligand. Compound 3 possesses a 3D 4-fold interpenetrated architecture with 4-connected dia topology (Schläfli symbol: {66}) in which tfBDC2- is stabilized in the channel by hydrogen bonds. Compounds 4-6 are all linear 1D coordination polymers. In 4, the free tfBDC2- ligand acts as a μ4-bridge to link four coordinated water molecules from the chain to construct a 2D structure via hydrogen bonds. While in 5 and 6, the uncoordinated tfBDC2- ligands and multimeric water clusters is responsible for the conversion of these 1D coordination polymers into 3D supramolecular assemblies through O-H⋯O hydrogen bonding interactions. Moreover

Nondoped deep blue OLEDs based on Bis-(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles

International Nuclear Information System (INIS)

Huang, Bin; Yin, Zhihui; Ban, Xinxin; Ma, Zhongming; Jiang, Wei; Tian, Wenwen; Yang, Min; Ye, Shanghui; Lin, Baoping; Sun, Yueming

2016-01-01

Two bipolar materials based on 9-phenylcarbazole and diphenyl sulfone for nondoped deep blue OLEDs, namely bis-(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles, have been designed and synthesized by Suzuki coupling reactions. Their thermal, photophysical, and electrochemical properties have been systematically investigated. The nondoped devices using 3,6–bis–(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles and 2,7-bis-(4-benzenesulfonyl-phenyl)-9-phenyl-9H-carbazoles as the emitters show deep blue emission color with peaks at 424 and 444 nm, and the Commission Internationale de l'Eclairage (CIE) coordinates of (0.177, 0.117) and (0.160, 0.117), respectively. Furthermore, these materials based devices have high color-purity with small width at half-maximum (FWHM) of 65 and 73 nm, respectively. The results provide a novel approach for the design of deep blue emitter for nondoped OLEDs.

[1,4-Bis(diphenylphosphanylbutane-κ2P,P′]chlorido(η5-indenylruthenium(II

Directory of Open Access Journals (Sweden)

Hui-Ling Sung

2011-05-01

Full Text Available Facile ligand substitution is observed when the ruthenium chloride complex [Ru(η5-C9H7Cl(PPh32] is treated with 1,4-bis(diphenylphosphanylbutane in refluxing toluene yielding the title compound, [Ru(C9H7Cl(C28H28P2]. The RuII atom has a typical piano-stool coordination, defined by the indenyl ligand, one Cl atom and two phosphanyl P atoms. The Ru—P bond lengths are 2.2502 (9 and 2.2968 (8 Å.

Crystal structures of bis- and hexakis[(6,6′-dihydroxybipyridinecopper(II] nitrate coordination complexes

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Deidra L. Gerlach

2015-12-01

Full Text Available Two multinuclear complexes synthesized from Cu(NO32 and 6,6′-dihydroxybipyridine (dhbp exhibit bridging nitrate and hydroxide ligands. The dinuclear complex (6,6′-dihydroxybipyridine-2κ2N,N′[μ-6-(6-hydroxypyridin-2-ylpyridin-2-olato-1:2κ3N,N′:O2](μ-hydroxido-1:2κ2O:O′(μ-nitrato-1:2κ2O:O′(nitrato-1κOdicopper(II, [Cu2(C10H7N2O2(OH(NO32(C10H8N2O2] or [Cu(6-OH-6′-O-bpy(NO3(μ-OH(μ-NO3Cu(6,6′-dhbp], (I, with a 2:1 ratio of nitrate to hydroxide anions and one partially deprotonated dhbp ligand, forms from a water–ethanol mixture at neutral pH. The hexanuclear complex bis(μ3-bipyridine-2,2′-diolato-κ3O:N,N′:O′tetrakis(6,6′-dihydroxybipyridine-κ2N,N′tetrakis(μ-hydroxido-κ2O:O′bis(methanol-κOtetrakis(μ-nitrato-κ2O:O′hexacopper(II, [Cu6(C10H6N2O22(CH4O2(OH4(NO34(C10H8N2O24] or [Cu(6,6′-dhbp(μ-NO32(μ-OHCu(6,6′-O-bpy(μ-OHCu(6,6′dhbp(CH3OH]2, (II, with a 1:1 NO3–OH ratio and two fully protonated and fully deprotonated dhbp ligands, was obtained by methanol recrystallization of material obtained at pH 3. Complex (II lies across an inversion center. Complexes (I and (II both display intramolecular O—H...O hydrogen bonding. Intermolecular O—H...O hydrogen bonding links symmetry-related molecules forming chains along [100] for complex (I with π-stacking along [010] and [001]. Complex (II forms intermolecular O—H...O hydrogen-bonded chains along [010] with π-stacking along [100] and [001].

High pressure synthesis of BiS2

DEFF Research Database (Denmark)

Søndergaard-Pedersen, Simone; Nielsen, Morten Bormann; Bremholm, Martin

crystal structures and electrical properties.1,2 Up until now, the most sulfur rich phase in the Bi-S phase diagram was Bi2S3.3 For BiS2 the Bi atoms have anisotropic charge distribution and more complex structures are expected when comparing the layered structures of transition metal dichalcogenides....... The possibilities of using high pressure synthesis to discover new phases in the Bi-S binary system were investigated as early as the 1960’s.4 The research led to discovery of a compound with BiS2 stoichiometry, but no structure solution of BiS2 was reported. A reason behind making this new phase is to study...... the physical properties since the related compound Bi2S3 is known to be a thermoelectric material.5 In this research the BiS2 compound was synthesized by a high pressure and high temperature method using a multi-anvil large volume press and the structure was solved by single crystal diffraction. The structure...

Bis[μ-2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ4N2,N3:N4,N5]bis[(nitrato-κOsilver(I] tetrahydrate

Directory of Open Access Journals (Sweden)

Abdelhakim Laachir

2013-06-01

Full Text Available The self-assembly of an angular 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligand (L with silver nitrate (AgNO3 produced a new dinuclear silver(I coordination complex, [Ag2(C12H8N4S2(NO32]·4H2O, which crystallizes with two Ag atoms bridged by two L ligands. The Ag atom is surrounded by four N atoms of L and by one O from the nitrate anion defining a distorted square pyramid. The atoms comprising the dication are nearly coplanar, with an r.m.s. deviation of 0.1997 Å. Molecules are linked by C—H...O and O—H...O hydrogen bonds through nitrate anions and water molecules, forming a two-dimensional porous network. The overall structure involves stacking of Ag complex layers along the b axis. The cohesion in the three-dimensional architecture is ensured by O...Ag interactions.

Synthesis, spectroscopy, magnetic and redox behaviors of copper(II) complexes with tert-butylated salen type ligands bearing bis(4-aminophenyl)ethane and bis(4-aminophenyl)amide backbones.

Science.gov (United States)

Kasumov, Veli T; Yerli, Yusuf; Kutluay, Aysegul; Aslanoglu, Mehmet

2013-03-01

New salen type ligands, N,N'-bis(X-3-tert-butylsalicylidene)-4,4'-ethylenedianiline [(X=H (1), 5-tert-butyl (2)] and N,N'-bis(X-3-tert-butylsalicylidene)-4,4'-amidedianiline [X=H (3), 5-tert (4)] and their copper(II) complexes 5-8, have been synthesized. Their spectroscopic (IR, (1)H NMR, UV/vis, ESR) properties, as well as magnetic and redox-reactivity behavior are reported. IR spectra of 7 and 8 indicate the coordination of amide oxygen atoms of 3 and 4 ligands to Cu(II). The solid state ESR spectra of 5-8 exhibits less informative exchange narrowed isotropic or anisotropic signals with weak unresolved low field patterns. The magnetic moments of 5 (2.92 μ(B) per Cu(II)) and 6 (2.79 μ(B) per Cu(II)) are unusual for copper(II) complexes and considerably higher than those for complexes 7 and 8. Cryogenic measurements (300-10 K) show weak antiferromagnetic exchange interactions between the copper(II) centers in complexes 6 and 8. The results of electrochemical and chemical redox-reactivity studies are discussed. Copyright © 2012 Elsevier B.V. All rights reserved.

From bis(imidazole-2-thion-4-yl)phosphane to a flexible P-bridged bis(NHC) ligand and its silver complex.

Science.gov (United States)

Majhi, Paresh Kumar; Schnakenburg, Gregor; Streubel, Rainer

2014-11-28

Synthesis of the first P(V)-bridged bis(NHC) ligand 7 was achieved via deprotonation of P(V)-functionalized bis(imidazolium) salt 6, which was obtained via oxidative desulfurization of bis(imidazole-2-thion-4-yl)phosphane 2. Bis(imidazolium) salt 6 was also employed to synthesize the corresponding silver complex 8. All new products were firmly established by spectroscopic and spectrometric methods as well as elemental analysis and, in addition, X-ray crystal structure analysis in the case of 3.

Carboxylate ligands induced structural diversity of zinc(II) coordination polymers based on 3,6-bis(imidazol-1-yl)carbazole: Syntheses, structures and photocatalytic properties

Energy Technology Data Exchange (ETDEWEB)

Cheng, Hong-Jian, E-mail: hjcheng@cslg.cn; Tang, Hui-Xiang; Shen, Ya-Li; Xia, Nan-Nan; Yin, Wen-Yu; Zhu, Wei; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin, E-mail: yuanrx@cslg.edu.cn

2015-12-15

Solvothermal reactions of Zn(NO{sub 3}){sub 2}·6H{sub 2}O with 3,6-bis(1-imidazolyl)carbazole (3,6-bmcz) and 1,4-benzenedicarboxylic acid (1,4-H{sub 2}bdc), p-phenylenediacetic acid (p-H{sub 2}pda), benzophenone-4,4-dicarboxylic acid (H{sub 2}bpda) afforded three coordination polymers [Zn(1,4-bdc)(3,6-bmcz)]{sub n} (1), {[Zn(p-pda)(3,6-bmcz)]·1.5H_2O}{sub n} (2) and {[Zn(bpda)(3,6-bmcz)]·0.25H_2O}{sub n} (3). Complexes 1–3 were characterized by elemental analysis, IR, powder X-ray diffraction, and single-crystal X-ray diffraction. Complex 1 shows 3D structure with 2D nets inclined polycatenation. Complexes 2 and 3 possess an extended 3D supramolecular architecture based on their respective 2D layers through hydrogen-bonding interactions and the π···π stacking interactions. The solid state luminescent and optical properties of 1–3 at ambient temperature were also investigated. A comparative study on their photocatalytic activity toward the degradation of methylene blue in polluted water was explored. - Graphical abstract: Reactions of Zn(NO{sub 3}){sub 2} and 3,6-(1-imidazolyl)carbazole with 1,4-benzenedicarboxylic acid, p-phenylenediacetic acid or benzophenone-4,4-dicarboxylic acid afforded three coordination polymers with different topologies and photocatalytic activity. - Highlights: • Reactions of 1,4-H{sub 2}bdc, p-H{sub 2}pda or H{sub 2}bpda with 3,6-bmcz and Zn(II) gave three CPs. • Complex 1 is a 3D entanglement. • Complex 2 or 3 is a 3D supramolecular structure based on different 2D layers. • Complex 2 exhibited good catalytic activity of methylene blue photodegradation.

New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

Science.gov (United States)

Xin, Ling-Yun; Liu, Guang-Zhen; Wang, Li-Ya

2011-06-01

The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H 2PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H 2O)] n(1), [Zn(PHDA)(BPP)] n(2), and [Cu 2(PHDA) 2(BPP)] n(3) (H 2PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D→2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4 86 68 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state.

Crystal structures of eight 3D molecular adducts derived from bis-imidazole, bis(benzimidazole), and organic acids

Science.gov (United States)

Ding, Aihua; Jin, Shouwen; Jin, Shide; Hu, KaiKai; Lin, Zhihao; Liu, Hui; Wang, Daqi

2018-01-01

Cocrystallization of the bis(imidazole)/bis(benzimidazole) with a series of organic acids gave a total of eight molecular adducts with the compositions: (3,6-bis(imidazole-1-yl)pyridazine): (trichloroacetic acid)2(1) [(H2L1)2+ · (tca-)2, L1 = 3,6-bis(imidazole-1-yl)pyridazine, tca- = trichloroacetate], (bis(N-imidazolyl)methane): (suberic acid) (2) [(L2) · (H2suba), L2 = bis(N-imidazolyl)methane, H2suba = suberic acid], bis(N-imidazolyl)methane: (3-nitrophthalic acid): 3H2O (3) [(H2L2)2+ · (3-Hnpa-)2 · 3H2O, 3-Hnpa- = 3-nitro hydrogenphthalate], (bis(N-imidazolyl)butane)0.5: (4-nitrophthalic acid): H2O (4) [(H2L3)0.5+ · (4-Hnpa-)- · H2O, L3 = bis(N-imidazolyl)butane, 4-Hnpa- = 4-nitro hydrogenphthalate], (1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole): (3,5-dinitrosalicylic acid) (5) [(HL4) · (3,5-dns-), L4 = 1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole, 3,5-dns- = 3,5-dinitrosalicylate], (1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole): (3-nitrophthalic acid) (6) [(H2L4) · (3-npa2-), L4 = 1-(3-(1H-benzimidazol-1-yl)propyl)-1H-benzimidazole, 3-npa2-=3-nitrogenphthalate], (bis(N-imidazolyl)butane): (pamoic acid) (7) [(H2L3) · (pam), pam = pamoate], and (3,6-bis(imidazole-1-yl)pyridazine): (1,5-naphthalenedisulfonic acid) [(H2L1)2+ · (npda)2- = 1,5-naphthalenedisulfonate] (8). The eight adducts have been characterized by X-ray diffraction technique, infrared spectrum, and elemental analysis, and the melting points of all adducts were also reported. And their structural and supramolecular aspects are fully analyzed. The result reveals that among the eight investigated crystals both the end ring N in the bis(imidazole) moieties are protonated when the organic acids are deprotonated except 2, and 5, and the crystal packing is interpreted in terms of the strong ionic Nsbnd H⋯O H-bond between the imidazolium and the deprotonated acidic groups. Except the Nsbnd H⋯O H-bond, the Osbnd H⋯O H-bonds were also found at the salts 3, 4

Combination of Scanning Probe Microscopy and Coordination Chemistry: Structural and Electronic Study of Bis(methylbenzimidazolyl)ketone and Its Iron Complex

NARCIS (Netherlands)

Folkertsma, Emma; Van Der Lit, Joost; Di Cicco, Francesca; Lutz, Martin; Klein Gebbink, Robertus J. M.; Swart, Ingmar; Moret, Marc-etienne

2017-01-01

Here, we report the bulk synthesis of [FeII(BMBIK)Cl2] bearing the redox noninnocent bis(methylbenzimidazolyl)ketone (BMBIK) ligand and the synthesis of the similar complex [FeI(BMBIK)]+ on a Au(111) surface using lateral manipulation at the atomic level. Cyclic voltammetry and scanning tunneling

[μ-Bis(diphenylphosphanyl-κPmethane]decacarbonyltri-μ-hydrido-trirhenium(I(3 Re—Re dichloromethane solvate

Directory of Open Access Journals (Sweden)

Ahmed F. Abdel-Magied

2011-12-01

Full Text Available In the title compound, [Re3(μ-H3(C25H22P2(CO10]·CH2Cl2, the three Re atoms form a triangle bearing ten terminal carbonyl groups and three edge-bridging hydrides. The bis(diphenylphosphanylmethane ligand bridges two Re atoms. Neglecting the Re—Re interactions, each Re atom is in a slightly distorted octahedral coordination environment. The dichloromethane solvent molecule is disordered over two sets of sites with fixed occupancies of 0.6 and 0.4.

Synthesis and characterization of silver nanoparticles from (bis)alkylamine silver carboxylate precursors

Energy Technology Data Exchange (ETDEWEB)

Uznanski, Pawel, E-mail: puznansk@cbmm.lodz.pl; Zakrzewska, Joanna [Centre of Molecular and Macromolecular Studies, PAS (Poland); Favier, Frederic, E-mail: fredf@univ-montp2.fr [Université Montpellier II, ICGM - UMR5253- Equipe AIME (France); Kazmierski, Slawomir; Bryszewska, Ewa [Centre of Molecular and Macromolecular Studies, PAS (Poland)

2017-03-15

A comparative study of amine and silver carboxylate adducts [R{sub 1}COOAg-2(R{sub 2}NH{sub 2})] (R{sub 1} = 1, 7, 11; R{sub 2} = 8, 12) as a key intermediate in NPs synthesis is carried out via differential scanning calorimetry, solid-state FT-infrared spectroscopy, {sup 13}C CP MAS NMR, powder X-ray diffraction and X-ray photoelectron spectroscopy, and various solution NMR spectroscopies ({sup 1}H and {sup 13}C NMR, pulsed field gradient spin-echo NMR, and ROESY). It is proposed that carboxyl moieties in the presence of amine ligands are bound to silver ions via chelating bidentate type of coordination as opposed to bridging bidentate coordination of pure silver carboxylates resulting from the formation of dimeric units. All complexes are packed as lamellar bilayer structures. Silver carboxylate/amine complexes show one first-order melting transition. The evidence presented in this study shows that phase behavior of monovalent metal carboxylates are controlled, mainly, by head group bonding. In solution, insoluble silver salt is stabilized by amine molecules which exist in dynamic equilibrium. Using (bis)amine-silver carboxylate complex as precursor, silver nanoparticles were fabricated. During high-temperature thermolysis, the (bis)amine-carboxylate adduct decomposes to produce silver nanoparticles of small size. NPs are stabilized by strongly interacting carboxylate and trace amounts of amine derived from the silver precursor interacting with carboxylic acid. A corresponding aliphatic amide obtained from silver precursor at high-temperature reaction conditions is not taking part in the stabilization. Combining NMR techniques with FTIR, it was possible to follow an original stabilization mechanism.

Bis[μ-1,2-bis(1H-imidazol-1-ylmethylbenzene-κ2N3:N3′]disilver(I 3-carboxylato-4-hydroxybenzenesulfonate methanol solvate trihydrate

Directory of Open Access Journals (Sweden)

Hong-Mei Sun

2009-09-01

Full Text Available In the title compound, [Ag2(C14H14N42](C7H4O6S·CH3OH·3H2O, the complex dication has a binuclear structure in which each AgI ion is two-coordinated in a slightly distorted linear coordination geometry. The two AgI atoms are bridged by two 1,2-bis[(1H-imidazol-1-ylmethyl]benzene (IBI ligands, forming a 22-membered ring. In the dication, π–π interactions are observed between the imidazole rings with centroid–centroid distances of 3.472 (3 and 3.636 (3 Å. In the crystal, the uncoordinated water molecules, anions and methanol solvent molecules are linked into chains along the b axis by O—H...O hydrogen bonds. In addition, π–π interactions are observed between the benzene rings of the IBI ligands, with a centroid–centroid distance of 3.776 (2 Å. The sulfonate group is disordered over two orientations with occupancies of 0.676 (12 and 0.324 (12.

Interplay between Organic-Organometallic Electrophores within Bis(cyclopentadienyl)Molybdenum Dithiolene Tetrathiafulvalene Complexes.

Science.gov (United States)

Bellec, Nathalie; Vacher, Antoine; Barrière, Frédéric; Xu, Zijun; Roisnel, Thierry; Lorcy, Dominique

2015-05-18

Tetrathiafulvalenes (TTF) and bis(cyclopentadienyl) molybdenum dithiolene complexes, Cp2Mo(dithiolene) complexes, are known separately to act as good electron donor molecules. For an investigation of the interaction between both electrophores, two types of complexes were synthesized and characterized. The first type has one Cp2Mo fragment coordinated to one TTF dithiolate ligand, and the second type has one TTF bis(dithiolate) bridging two Cp2Mo fragments. Comparisons of the electrochemical properties of these complexes with those of models of each separate electrophore provide evidence for their mutual influence. All of these complexes act as very good electron donors with a first oxidation potential 430 mV lower than the tetrakis(methylthio)TTF. DFT calculations suggest that the HOMO of the neutral complex and the SOMO of the cation are delocalized across the whole TTF dithiolate ligand. The X-ray crystal structure analyses of the neutral and the mono-oxidized Cp2Mo(dithiolene)(bismethylthio)TTF complexes are consistent with the delocalized assignment of the highest occupied frontier molecular orbitals. UV-vis-NIR spectroelectrochemical investigations confirm this electronic delocalization within the TTF dithiolate ligand.

Synthesis of Acridine-based DNA Bis-intercalating Agents

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P. Mack

2001-02-01

Full Text Available Methods for the synthesis of N1, N8-bis(9-acridinyl-N4-(4-hydroxybenzyl-spermidine and N1, N7-(hydroxybenzyl-bis-(3-aminopropylamine were investigated. Thus monocyanoethylation of 4-methoxybenzylamine followed by treatment with 4-chlorobutyronitrile gave the dinitrile N-(2-cyanoethyl-N-(3-cyanopropyl-4-methoxybenzylamine. Subsequent in situ reduction with lithium aluminium hydride gave the corresponding diamine. Biscyanoethylation of 4-methoxybenzylamine with 2 mole of acrylonitrile followed by reduction yielded the diamine N, N-bis-(3-aminopropyl-4-methoxybenzylamine. Both diamines reacted smoothly with 9-methoxyacridine to give the bis-(9-acridinyl compounds 11 and 15 but with 4,5-dimethyl-9-methoxyacridine, the bis compound 16 was produced in only low yields. Demethylation of the dinitriles by a variety of approaches all failed to give the corresponding hydroxybenzyl derivatives. These studies yielded useful methylated tyrosine derivatives which could also be iodinated. This study has been useful for elucidating chemical methods needed for the synthesis of the desired tyrosine-based bis acridine compound and for alerting us to the need to synthesise a more labile protected tyrosine intermediate which will be easily deprotected to afford the desired tyrosine-based bis acridine compound.

Enhanced explosive sensing based on bis(methyltetraphenyl)silole nanoaggregate

Science.gov (United States)

Shin, Bomina; Sohn, Honglae

2018-01-01

New photoluminescent bis(methyltetraphenyl)silole nanoaggregates for the detection of trinitrotoluene (TNT) were developed by using aggregation-induced emission property. Bis(methyltetraphenyl)silole nanoaggregates exhibited that photoluminescence (PL) intensity was increased when the water fraction was increased to 90% by volume. Relative PL efficiency of bis(methyltetraphenyl)silole nanoaggregates was exponentially increased to the percent of water fraction and particle diameter was dependent on solvent composition. Particle size of bis(methyltetraphenyl)silole nanoaggregates was tuned by controlling the water fraction by volume. Absolute quantum yield of bis(methyltetraphenyl)silole nanoaggregates in 90% water volume fraction were 32.4%, which increases by about 40 times. Detection of TNT was achieved from the quenching PL measurement of bis(methyltetraphenyl)silole nanoaggregates by adding the TNT. A linear Stern-Volmer relationship was observed for the detection of TNT.

Uptake of 153Sm-DTPA-bis-biotin and 99mTc-DTPA-bis-biotin in rat as-30D-hepatoma cells

International Nuclear Information System (INIS)

Correa-Gonzalez, Luis; Arteaga de Murphy, Consuelo; Ferro-Flores, Guillermina; Pedraza-Lopez, Martha; Murphy-Stack, Eduardo; Mino-Leon, Dolores; Perez-Villasenor, Graciela; Diaz-Torres, Yaneth; Munoz-Olvera, Rodrigo

2003-01-01

Labeled biotin has been used mainly for pretargeted therapy, an approach for increasing the amount of radioactivity delivered to a cancer cell. The aim of this investigation was to prepare 153 Sm-DTPA-bis-biotin and 99m Tc-DTPA-bis-biotin in order to study their in vitro and in vivo uptake in rat AS-30D hepatoma cells found in ascites and in implanted tumor. DTPA-bis-biotin (pH 8) was 153 Sm labeled with 153 SmCl 3 and 99m Tc-DTPA-bis-biotin was prepared via SnCl 2 reduction. Radiochemical purity was >98% in both cases. AS-30D hepatoma cells were obtained from ascites of a rat with hepatoma and were propagated in the peritoneum cavity of normal rats. In vitro ascites cell 153 Sm-DTPA-bis-biotin uptake was compared with 153 SmCl 3 cell uptake. The ratio cell 153 Sm-DTPA-bis-biotin/ 153 SmCl 3 was 39.6 and when avidin was added it increased to 50. The ratio 99m Tc-DTPA-bis-biotin/TcO 4 Na was 8.7. Concentration of 153 Sm-DTPA-bis-biotin in tumor 2, 3 and 24 h after administration, was 5, 15 and 3 times higher than in normal muscle (T/nT). Biodistribution in a 0.083-24 h time period showed that 153 Sm-DTPA-bis-biotin was taken up only by ascites tumor cells and hepatoma cells. Two and 3 h ratio ascites/liver (As/Lv) was 6.4 and 6.0. For 99m Tc-DTPA-bis-biotin 2 and 3 h T/nT was 15.7 and 4.7 and 2 h As/Lv was 1.4. In conclusion, both radiopharmaceuticals show high uptake in rat AS-30D hepatoma cells in ascites and in implanted tumor. Since lung, thyroid, kidney, liver or pancreas carcinomas are ascites producing cancers 153 Sm-DTPA-bis-biotin would be an adequate therapeutic radiopharmaceutical for these patients whose life quality would be enhanced with control of ascites, and a reduction of the primary tumor and its metastases

Two-dimensional structure of poly[[[μ2-1,4-bis(pyridin-4-ylbutane]bis(μ4-pentanedioatodicopper(II] acetonitrile disolvate

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Do Nam Lee

2017-10-01

Full Text Available In the title compound, {[Cu2(μ4-C5H6O42(μ2-C14H16N2]·2CH3CN}n, the Cu2 dinuclear units are connected by glutartate ligands, forming one-dimensional double chains. These chains, are in turn bridged by 1,4-bis(pyridin-4-ylbutane ligands to form a two-dimensional layer structure parallel to (112. The carboxylate groups of the glutarate ligand bridge two copper(II ions, forming a paddle-wheel-type Cu2(CO24 dinuclear secondary building unit. A crystallographic inversion centre is located midway between two CuII ions, with a Cu...Cu distance of 2.639 (3 Å. The coordination geometry of the unique CuII ion is slightly disorted square pyramidal, formed by four equatorial carboxylate O atoms and an axial pyridyl N atom.

New coordination polymers from 1D chain, 2D layer to 3D framework constructed from 1,2-phenylenediacetic acid and 1,3-bis(4-pyridyl)propane flexible ligands

International Nuclear Information System (INIS)

Xin Lingyun; Liu Guangzhen; Wang Liya

2011-01-01

The hydrothermal reactions of Cd, Zn, or Cu(II) acetate salts with H 2 PHDA and BPP flexible ligands afford three new coordination polymers, including [Cd(PHDA)(BPP)(H 2 O)] n (1), [Zn(PHDA)(BPP)] n (2), and [Cu 2 (PHDA) 2 (BPP)] n (3) (H 2 PHDA=1,2-phenylenediacetic acid, BPP=1,3-bis(4-pyridyl)propane). The single-crystal X-ray diffractions reveal that all three complexes feature various metal carboxylate subunits extended further by the BPP ligands to form a diverse range of structures, displaying a remarked structural sensitivity to metal(II) cation. Complex 1 containing PHDA-bridged binuclear cadmium generates 1D double-stranded chain, complex 2 results in 2D→2D interpenetrated (4,4) grids, and complex 3 displays a 3D self-penetrated framework with 4 8 6 6 8 rob topology. In addition, fluorescent analyses show that both 1 and 2 exhibit intense blue-violet photoluminescence in the solid state. - Graphical Abstract: We show diverse supramolecular frameworks based on the same ligands (PHDA and BPP) and different metal acetate salts including 1D double-stranded chain, 2D → 2D twofold interpenetrated layer, and 3D self-penetration networks. Highlights: → Three metal(II = 2 /* ROMAN ) coordination polymers were synthesized using H 2 PHDA and BPP. → The diversity of structures show a remarked sensitivity to metal(II) center. → Complexes show the enhancement of fluorescence compared to that of free ligand.

Accelerated optical holographic recording using bis-DNO

DEFF Research Database (Denmark)

Rasmussen, Palle H.; Ramanujam, P.S.; Hvilsted, Søren

1999-01-01

The design, synthesis and optical holographic recording properties of bis-DNO are reported. Bis-DNO is composed of two identical azobenzene oligoornithine segments (DNO) connected via a dipeptide linker. The two segments were assembled in a parallel fashion at the two amino groups of the dipeptid...... linker by Merrifield synthesis. Surprisingly, the response time of films of bis-DNOs was found to be much faster than that of their linear counterparts. (C) 1999 Elsevier Science Ltd. All rights reserved....

Quando o índice bispectral (BIS pode fornecer valores espúrios Cuando el índice bispectral (BIS puede suministrar valores falsos When the bispectral index (Bis can give false results

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Leonardo Teixeira Domingues Duarte

2009-02-01

Full Text Available JUSTIFICATIVA E OBJETIVOS: O índice bispectral (BIS é um parâmetro multifatorial derivado do eletroencefalograma (EEG que permite a monitorização do componente hipnótico da anestesia. Foi obtido a partir de algoritmo derivado da análise de grande número de EEGs de voluntários e pacientes submetidos a sedações e anestesia geral com diferentes agentes anestésicos. Além de outros benefícios, o uso do BIS para monitorização da profundidade da anestesia reduz a ocorrência de despertar e memória intra-operatória. Esta revisão teve o objetivo de apresentar situações clínicas em que o BIS aponta valores espúrios, falsamente elevados ou reduzidos, em decorrência de condições do paciente ou ações de anestésicos não-previstos quando da elaboração do seu algoritmo. CONTEÚDO: Os valores do BIS podem sofrer alteração e influência em variadas situações clínicas em que há padrões anormais do EEG; efeito de diferentes anestésicos e outros fármacos não-incluídos na elaboração de seu algoritmo; interferência de equipamentos elétricos; bem como decorrentes de peculiaridades do monitor. CONCLUSÃO: Apesar de o algoritmo do BIS ter sofrido diversas alterações desde a sua primeira versão, essas situações que determinam variações espúrias dos valores do BIS devem ser reconhecidas pelo anestesiologista a fim de evitar complicações, sejam conseqüentes à sobredose anestésica, sejam por subdoses que poderão causar despertar e memória intra-operatória.JUSTIFICATIVA Y OBJETIVOS: El índice bispectral (BIS es un parámetro multifactorial derivado del electroencefalograma (EEG, que permite la monitorización del componente hipnótico de la anestesia. Fue obtenido a partir de algoritmo derivado del análisis de un gran número de EEG de voluntarios y pacientes sometidos a sedaciones y anestesia general con diferentes agentes anestésicos. Además de otros beneficios, el uso del BIS para la monitorización de la

Zinc(II) complexes with intramolecular amide oxygen coordination as models of metalloamidases.

Science.gov (United States)

Rivas, Juan C Mareque; Salvagni, Emiliano; Prabaharan, Ravi; de Rosales, Rafael Torres Martin; Parsons, Simon

2004-01-07

Polydentate ligands (6-R1-2-pyridylmethyl)-R2(R1= NHCOtBu, R2= bis(2-pyridylmethyl)amine L1, bis(2-(methylthio)ethyl)amine L2 and N(CH2CH2)2S L3) form mononuclear zinc(II) complexes with intramolecular amide oxygen coordination and a range of coordination environments. Thus, the reaction of Zn(ClO4)2.6H2O with L1-3 in acetonitrile affords [(L)Zn](ClO4)2(L=L1, 1; L2, 2) and [(L3)Zn(H2O)(NCCH3)](ClO4)2 3. The simultaneous amide/water binding in resembles the motif that has been proposed to be involved in the double substrate/nucleophile Lewis acidic activation and positioning mechanism of amide bond hydrolysis in metallopeptidases. X-ray diffraction, 1H and 13C NMR and IR data suggests that the strength of amide oxygen coordination follows the trend 1>2 >3. L1-3 and undergo cleavage of the tert-butylamide upon addition of Me4NOH.5H2O (1 equiv.) in methanol at 50(1)degrees C. The rate of amide cleavage follows the order 1> 2> 3, L1-3. The extent by which the amide cleavage reaction is accelerated in 1-3 relative to the free ligands, L1-3, is correlated with the strength of amide oxygen binding and Lewis acidity of the zinc(II) centre in deduced from the X-ray, NMR and IR studies.

Two pathways for electrocatalytic oxidation of hydrogen by a nickel bis(diphosphine) complex with pendant amines in the second coordination sphere.

Science.gov (United States)

Yang, Jenny Y; Smith, Stuart E; Liu, Tianbiao; Dougherty, William G; Hoffert, Wesley A; Kassel, W Scott; Rakowski DuBois, M; DuBois, Daniel L; Bullock, R Morris

2013-07-03

A nickel bis(diphosphine) complex containing pendant amines in the second coordination sphere, [Ni(P(Cy)2N(t-Bu)2)2](BF4)2 (P(Cy)2N(t-Bu)2 = 1,5-di(tert-butyl)-3,7-dicyclohexyl-1,5-diaza-3,7-diphosphacyclooctane), is an electrocatalyst for hydrogen oxidation. The addition of hydrogen to the Ni(II) complex gives three isomers of the doubly protonated Ni(0) complex [Ni(P(Cy)2N(t-Bu)2H)2](BF4)2. Using the pKa values and Ni(II/I) and Ni(I/0) redox potentials in a thermochemical cycle, the free energy of hydrogen addition to [Ni(P(Cy)2N(t-Bu)2)2](2+) was determined to be -7.9 kcal mol(-1). The catalytic rate observed in dry acetonitrile for the oxidation of H2 depends on base size, with larger bases (NEt3, t-BuNH2) resulting in much slower catalysis than n-BuNH2. The addition of water accelerates the rate of catalysis by facilitating deprotonation of the hydrogen addition product before oxidation, especially for the larger bases NEt3 and t-BuNH2. This catalytic pathway, where deprotonation occurs prior to oxidation, leads to an overpotential that is 0.38 V lower compared to the pathway where oxidation precedes proton movement. Under the optimal conditions of 1.0 atm H2 using n-BuNH2 as a base and with added water, a turnover frequency of 58 s(-1) is observed at 23 °C.

Bis(μ-2-carboxymethyl-2-hydroxybutanedioatobis[diaquamanganese(II]–1,2-bis(pyridin-4-ylethene–water (1/1/2

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In Hong Hwang

2012-12-01

Full Text Available The asymmetric unit of the title compound, [Mn2(C6H6O72(H2O4]·C12H10N2·2H2O, contains half of the centrosymmetric Mn complex dimer, half of a 1,2-bis(pyridin-4-ylethene molecule, which lies across an inversion center, and one water molecule. Two citrate ligands bridge two MnII ions, and each MnII atom is coordinated by four O atoms from the citrate ligands (one from hydroxy and three from carboxylate groups and two water O atoms, forming a distorted octahedral environment. In the crystal, O—H...O and O—H...N hydrogen bonds link the centrosymmetric dimers and lattice water molecules into a three-dimensional structure which is further stabilized by intermolecular π–π interactions [centroid–centroid distance = 3.959 (2 Å]. Weak C—H...O hydrogen bonding interactions are also observed.

Synergistic extraction of Eu(III) with N-phosphorylated bis-ureas and chlorinated cobalt bis(dicarbollide) ion

Czech Academy of Sciences Publication Activity Database

Selucký, P.; Bubeníková, M.; Rais, J.; Grüner, Bohumír; Brusko, V.V.

2013-01-01

Roč. 101, č. 1 (2013), s. 27-31 ISSN 0033-8230 R&D Projects: GA ČR GA104/09/0668 Institutional support: RVO:61388980 Keywords : liquid-liquid extraction * lanthanides * actinides * N-phosphorylated bis-ureas * chlorinated cobalt bis(dicarbollide) ion * high level liquid waste Subject RIV: CA - Inorganic Chemistry Impact factor: 1.411, year: 2013

‘Transnationalising’ Ne Bis In Idem: How the Rule of Ne Bis In Idem Reveals the Principle of Personal Legal Certainty

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Juliette Lelieur

2013-09-01

Full Text Available Since Article 54 of the Convention implementing the Schengen Agreement gave the rule of ne bis in idem a transnational dimension, talk of the ‘transnational ne bis in idem principle’ has been commonplace. Thus, when looking for general principles of transnational criminal law, scholars refer to the principle of ‘transnational ne bis in idem’. It is doubtful, however, that ne bis in idem qualifies as a principle of law. It should be regarded, rather, as a rule of criminal procedure, traditionally based on the principle of res judicata. Giving the rule of ne bis in idem a transnational dimension therefore requires either transnationalising the principle of res judicata, or giving the rule of ne bis in idem a new foundation.The principle of res judicata principally serves the credibility of the justice system in a given jurisdiction by prohibiting several tribunals, all acting within the parameters of their jurisdiction, from contradicting each other’s interpretation of the same facts. For this reason, the principle of res judicata does not provide an adequate basis for a transnationalised rule of ne bis in idem.From a human rights perspective, multiple prosecutions against the same person for the same facts collides with protecting individuals against arbitrary judicial treatment. This is true whether the multiple prosecutions all take place in one country or in several different countries. The rule of ne bis in idem could therefore be regarded as a manifestation of the (new ‘principle of personal legal certainty’.

Comparisons Between Tridentate Bis(benzazoles-pyridine and Bis(benzazolestriazine Ligands: a Theoretical Study

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Mihaiela Andoni

2015-12-01

Full Text Available Twelve bis(benzazole structures with potential ligand character were investigated by means of computational chemistry. Global and local reactivity descriptors within DFT (Density Functional Theory theory (Fukui functions, chemical potential, hardness, electrophilicity index have been computed at B3LYP/6-31G(d,p level of theory. NICS(0 (Nucleus Independent Chemical Shift index computations were employed for the evaluation of the local aromatic character of each heterocyclic moiety. Best results have been reported for the bis(benzimidazole derivatives. Copper and zinc complexes of the investigated tridentate ligands have been proposed.

Isolation of a Bis-Iodurated Tetra-THF as a Trace Product from the Oxidation of Squalene with RuO4 and Its Double Ring Expansion to a Novel bis-THF-bis-THP Compound

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Nicola Borbone

2011-06-01

Full Text Available A novel bis-iodurated polyether compound, based on an unprecedented tetra-THF backbone, has been isolated as a trace by-product of the oxidation of squalene with the catalytic system RuO2(cat./NaIO4. The double erythro configuration of the central portion of the molecule furnishes the first indirect support of the previously postulated pathway operating in the oxidative pentacyclization of the isoprenoid substrate. A bidirectional double oxidative bis-cyclization is invoked to explain the formation of this compound. The isolated substance was successfully subjected to a double rearrangement-ring expansion to give a novel bis-THF-bis-THP compound.

Crystal structure of bis[1,3-bis(2,6-diisopropylphenylimidazol-2-ylidene]silver(I chloride tetrahydrofuran monosolvate

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Inge Sänger

2015-05-01

Full Text Available In the title salt, [Ag(C27H36N22]Cl·C4H8O, the AgI atom is coordinated by two 1,3-bis(2,6-dimethylphenylimidazol-2-ylidene ligands. The imidazole rings are inclined to one another by 46.69 (13° and the benzene rings in each ligand are almost normal to the imdazole ring to which they are attached, with dihedral angles varying from 82.39 (13 to 88.27 (12°. There are C—H...π interactions present in the cation, involving the two ligands, and the solvent molecule is linked to the cation via a C—H...O hydrogen bond. In the crystal, molecules are linked by trifurcated C—H...(Cl,Cl,Cl hydrogen bonds, forming slabs parallel to (101. One isopropyl group is disordered over two sets of sites with an occupancy ratio of 0.447 (17:0.553 (17 and the THF molecule is disordered over two positions with an occupancy ratio of 0.589 (6:0.411 (6.

Crystal structure of a samarium(III nitrate chain cross-linked by a bis-carbamoylmethylphosphine oxide ligand

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Julie A. Stoscup

2014-10-01

Full Text Available In the title compound poly[aquabis(μ-nitrato-κ4O,O′:O,O′′tetrakis(nitrato-κ2O,O′{μ4-tetraethyl [(ethane-1,2-diylbis(azanediylbis(2-oxoethane-2,1-diyl]diphosphonate-κ2O,O′}disamarium(III], [Sm2(NO36(C14H30N2O8P2(H2O]n, a 12-coordinate SmIII and a nine-coordinate SmIII cation are alternately linked via shared bis-bidentate nitrate anions into a corrugated chain extending parallel to the a axis. The nine-coordinate SmIII atom of this chain is also chelated by a bidentate, yet flexible, carbamoylmethylphoshine oxide (CMPO ligand and bears one water molecule. This water molecule is hydrogen bonded to nitrate groups bonded to the 12-coordinate SmIII cation. The CMPO ligand, which lies about an inversion center, links neighboring chains along the c axis, forming sheets parallel to the ac plane. Hydrogen bonds between the amide NH group and metal-bound nitrate anions are also present in these sheets. The sheets are packed along the b axis through only van der Waals interactions.

Crystal structure of {2,2′-[N,N′-bis(pyridin-2-ylmethylcyclohexane-trans-1,2-diyldi(nitrilo]diacetato}cobalt(III hexafluoridophosphate

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Craig C. McLauchlan

2015-04-01

Full Text Available The title compound [Co(C22H26N4O4]PF6, commonly known as [Co(bpcd]PF6, where bpcd2− is derived from the historical ligand name N,N′-bis(2-pyridylmethyl-trans-1,2-diaminocyclohexane-N,N′-diacetate, crystallized by slow evaporation of a saturated acetonitrile solution in air. The cation of the hexafluoridophosphate salt has the CoIII atom in a distorted octahedral coordination geometry provided by an N4O2 donor atom set. The acetate groups, which are oriented trans with respect to each other, exhibit monodentate coordination whereas the pyridyl N atoms are coordinating in a cis configuration. The geometry of the cation is compared to the geometries of other diamino diacetate complexes with CoIII.

DNA-Directed alkylating agents. 7. Synthesis, DNA interaction, and antitumor activity of bis(hydroxymethyl)- and bis(carbamate)-substituted pyrrolizines and imidazoles.

Science.gov (United States)

Atwell, G J; Fan, J Y; Tan, K; Denny, W A

1998-11-19

A series of bis(hydroxymethyl)-substituted imidazoles, thioimidazoles, and pyrrolizines and related bis(carbamates), linked to either 9-anilinoacridine (intercalating) or 4-(4-quinolinylamino)benzamide (minor groove binding) carriers, were synthesized and evaluated for sequence-specific DNA alkylation and cytotoxicity. The imidazole and thioimidazole analogues were prepared by initial synthesis of [(4-aminophenyl)alkyl]imidazole-, thioimidazole-, or pyrrolizine dicarboxylates, coupling of these with the desired carrier, and reduction to give the required bis(hydroxymethyl) alkylating moiety. The pyrrolizines were the most reactive alkylators, followed by the thioimidazoles, while the imidazoles were unreactive. The pyrrolizines and some of the thioimidazoles cross-linked DNA, as measured by agarose gel electrophoresis. Strand cleavage assays showed that none of the compounds reacted at purine N7 or N3 sites in the gpt region of the plasmid gpt2Eco, but the polymerase stop assay showed patterns of G-alkylation in C-rich regions. The corresponding thioimidazole bis(carbamates) were more selective than the bis(hydroxymethyl) pyrrolizines, with high-intensity bands at 5'-NCCN, 5'-NGCN and 5'-NCGN sequences in the PCR stopping assay ( indicates block sites). The data suggest that these targeted compounds, like the known thioimidazole bis(carbamate) carmethizole, alkylate exclusively at guanine residues via the 2-amino group, with little or no alkylation at N3 and N7 guanine or adenine sites. The cytotoxicities of the compounds correlated broadly with their reactivities, with the bis(hydroxymethyl)imidazoles being the least cytotoxic (IC50s >1 microM; P388 leukemia) and with the intercalator-linked analogues being more cytotoxic than the corresponding minor-groove-targeted ones. This was true also for the more reactive thioimidazole bis(carbamates) (IC50s 0.8 and 11 microM, respectively), but both were more active than the analogous "untargeted" carmethizole (IC50 20

A review on bis-hydrazonoyl halides: Recent advances in their synthesis and their diverse synthetic applications leading to bis-heterocycles of biological interest

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Ahmad Sami Shawali

2016-11-01

Full Text Available This review covers a summary of the literature data published on the chemistry of bis-hydrazonoyl halides over the last four decades. The biological activities of some of the bis-heterocyclic compounds obtained from these bis-hydrazonoyl halides are also reviewed and discussed.

ACTIVATION OF ACETYLENE BY COORDINATION TO BIS-TRIPHENYLPHOSPHINE COMPLEX OF Pt(0: DFT STUDY

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N. N. Gorinchoy

2009-06-01

Full Text Available The present work is devoted to the theoretical study of the activation of the acetylene molecule coordinated in the [Pt(PPh32C2H2] complex. By means of DFT calculations it is shown that the geometrical and electronic characteristics of the C2H2 are essentially changed due to its coordination. The subsequent detailed analysis of the molecular orbitals (MO of the active valence zone of this complex allows one to make important conclusion that this activation is being realized mainly due to the orbital back donation of 5d-electronic density from one of the occupied MOs of the complex [Pt(PPh32] to the unoccupied antibonding π*-MO of C2H2.

Enhanced fluorescence of Tb(III), Dy(III) perchlorate by salicylic acid in bis(benzoylmethyl) sulfoxide complexes and luminescence mechanism

International Nuclear Information System (INIS)

Li Wenxian; Zheng Yushan; Sun Xiaojun; Chai Wenjuan; Ren Tie; Shi Xiaoyan

2010-01-01

Two novel ternary rare earth perchlorate complexes had been synthesized by using bis(benzoylmethyl) sulfoxide as first ligand (L=C 6 H 5 COCH 2 SOCH 2 COC 6 H 5 ), salicylic acid as second ligand (L ' =C 6 H 4 OHCOO - ). The compounds were characterized by elemental analysis, TG-DSC and molar conductivities in DMF solution. The composition was suggested as [REL 5 L'](ClO 4 ) 2 .nH 2 O (RE=Tb, Dy; n=6, 8 ). Based on IR, 1 HNMR and UV spectra, it showed that the first ligand, bis(benzoylmethyl) sulfoxide (L), bonded with Tb(III), Dy(III) ions by the oxygen atom of sulfinyl group. The second ligand, salicylic acid group (L'), not only bonded with RE(III) ions by one oxygen atom of carboxyl group but also bonded with RE(III) ions by oxygen atom of phenolic hydroxyl group. In bis(benzoylmethyl) sulfoxide system, fluorescent spectra of the complexes showed that the luminescence of Tb(III), Dy(III) ions was enhanced by the second ligand salicylic acid. The ternary complexes had stronger fluorescence than the binary ones where only bis(benzoylmethyl) sulfoxide acted as ligand. Phosphorescent spectra of the two ligands indicated that the coordination of salicylic acid resulted in the matching extent increasing between the triplet state of ligand and excited state of the rare earths. The relationship between fluorescence lifetime and fluorescence intensity was also discussed.

New metal-organic complexes based on bis(tetrazole) ligands: Synthesis, structures and properties

Science.gov (United States)

Du, Ceng-Ceng; Fan, Jian-Zhong; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi

2017-04-01

In this paper, a series of new complexes, [Zn2(HL1)2(H2O)4]·H2O (1), [Co2(HL1)2]·TEA (2), [Co3(HL1)2(H2L1)2(H2O)4]n (3), [Cu(HL1)(H2O)2]n (4), {[Cu5(HL2)2(OH)4(ClO4)2]·4H2O}n (5) and [Cu2(L3)]n (6) were successfully prepared by utilizing three bis(tetrazole) ligands [bis-(1H-tetrazol-5-ylmethyl)-amine (H3L1), bis-(1H-tetrazol-5-ylethyl)-amine (H3L2) and 1,5-bis(5-tetrazolo)-3-thiapentane (H2L3)], all of which have been characterized by elemental analyses, FT-IR spectroscopy, powder X-ray diffraction (PXRD), thermogravimetric analyses as well as single-crystal X-ray diffraction analyses showing different dimensionalities (0D, 1D and 3D). Complexes 1 and 2 are 0D structures, 1 shows a dinuclear structure, 2 displays two crystallographically different mononuclear structures, 1 and 2 are further assembled to form 3D supramolecular framework and 2D supramolecular network by hydrogen-bonding interactions, respectively. Complexes 3, 4 and 5 are 1D structures, 3 features a mononuclear unit and a 1D chain, which are arranged into 3D supramolecular architecture by hydrogen-bonding interactions, 4 presents a zigzag chain, 5 shows an infinite chain structure constructed from pentanuclear Cu(II) subunits and ClO4- anions. Complex 6 exhibits a 3D coordination framework based on cyclic [Cu4(L3)2] dimmer subunits as nodes possessing an 8-connected network topology with the point symbol {424·64}. Further, semiconductor behaviors, the solid-state luminescent properties of the complexes 1-3 and 6 were measured and studied seriously at room temperature.

Poly[[sesqui[mu2-1,4-bis(imidazol-1-ylmethyl)benzene-kappa(2)N:N'](carbonato-kappa(2)O,O')copper(II)] 1,4-bis(imidazol-1-ylmethyl)benzene hemisolvate pentahydrate].

Science.gov (United States)

Dai, Yu-Mei; Tang, En; Huang, Jin-Feng; Yang, Qiu-Yan

2008-10-01

The asymmetric unit of the title compound, {[Cu(CO(3))(C(14)H(14)N(4))(1.5)] x 0.5 C(14)H(14)N(4) x 5 H(2)O}(n), contains one Cu(II) cation in a slightly distorted square-pyramidal coordination environment, one CO(3)(2-) anion, one full and two half 1,4-bis(imidazol-1-ylmethyl)benzene (bix) ligands, one half-molecule of which is uncoordinated, and five uncoordinated water molecules. One of the coordinated bix ligands and the uncoordinated bix molecule are situated about centers of symmetry, located at the centers of the benzene rings. The coordinated bix ligands link the copper(II) ions into a [Cu(bix)(1.5)](n) molecular ladder. These molecular ladders do not form interpenetrated ladders but are arranged in an ABAB parallel terrace, i.e. with the ladders arranged one above another, with sequence A translated with respect to B by 8 A. To best of our knowledge, this arrangement has not been observed in any of the molecular ladder frameworks synthesized to date. The coordination environment of the Cu(II) atom is completed by two O atoms of the CO(3)(2-) anion. The framework is further strengthened by extensive O-H...O and O-H...N hydrogen bonds involving the water molecules, the O atoms of the CO(3)(2-) anion and the N atoms of the bix ligands. This study describes the first example of a molecular ladder coordination polymer based on bix and therefore demonstrates further the usefulness of bix as a versatile multidentate ligand for constructing coordination polymers with interesting architectures.

Synthesis, characterization, and molecular structure of tetraethylammonium pentakis(isothiocyanato)bis(2,2'-bipyridine)uranate(IV)

International Nuclear Information System (INIS)

Wiley, R.O.; Von Dreele, R.B.; Brown, T.M.

1980-01-01

The synthesis of tetraethylammonium pentakis(isothiocyanato)bis(2,2'-bipyridine)uranate(IV) has been accomplished, and it was characterized by classical physical methods. The crystal and molecular structure was determined from single-crystal x-ray data collected by the theta-2theta technique on an automated diffractometer. The compound consists of pentakis(isothiocyanato)bis (2,2'-bipyridine)uranate(IV) anions and disordered tetraethylammonium cations. Uranium is bound to nine nitrogen atoms in a highly distorted monocapped square antiprism in which one bipyridine occupies a position bridging the cap and the near square while the other bipyridine spans the opposite edge of the far square. Distortion from the ideal geometry is caused by the small ligand bite of the bipyridine ligand. An alternative description of the coordination geometry is derived from the seven-coordinate pentagonal bipyramid in which each bipyridine ligand is assumed to occupy an axial position with the five thiocyanato ligands forming the pentagonal girdle. The U-N bond distances vary from 2.35 to 2.47 A for the thiocyanato ligands and from 2.61 to 2.65 A for the bipyridine ligands. The structure was solved by standard heavy-atom techniques and refined by large-block matrix least squares to a final R value of 0.083 for 3878 independent observed reflections. The compound crystallized in the monoclinic space group P2 1 /c, Z = 4, with lattice parameters a = 14.427 (10) A, b = 18.612 (17) A, c = 15.710 (10) A, and β = 105.17 (7) 0 , rho/sub obsd/ = 1.57 g cm -3

Synthesis and biodistribution of lipophilic and monocationic gallium radiopharmaceuticals derived from N,N'-bis(3-aminopropyl)-N,N'-dimethylethylenediamine: potential agents for PET myocardial imaging with 68Ga

International Nuclear Information System (INIS)

Hsiao, Y.-M.; Mathias, Carla J.; Wey, S.-P.; Fanwick, Phillip E.; Green, Mark A.

2009-01-01

Introduction: In locations that lack nearby cyclotron facilities for radionuclide production, generator-based 68 Ga radiopharmaceuticals might have clinical utility for positron emission tomography (PET) studies of myocardial perfusion and other physiological processes. Methods: The lipophilic and monocationic 67 Ga-labeled gallium chelates of five novel hexadentate bis(salicylaldimine) ligands the bis(salicylaldimine), bis(3-methoxysalicylaldimine), bis(4-methoxysalicylaldimine), bis(6-meth,oxysalicylaldimine), and bis(4,6-dimethoxysalicylaldimine) of N,N'-bis(3-aminopropyl)-N,N'-dimethylethylenediamine (BAPDMEN), were prepared. The structure of the unlabeled [Ga(4-MeOsal) 2 BAPDMEN] + PF 6 - salt was determined by X-ray crystallography, and the biodistribution of each of the 67 Ga-labeled gallium chelates was determined in rats following intravenous administration and compared with the biodistribution of [ 86 Rb]rubidium chloride. Results: The [Ga(4-MeOsal) 2 BAPDMEN] + PF 6 - complex exhibited the expected pseudo-octahedral N 4 O 2 2- coordination sphere about the Ga 3+ center with a trans disposition of the phenolate oxygen atoms. All five 67 Ga radiopharmaceuticals were found to afford the desired myocardial retention of the radiogallium. The [ 67/68 Ga][Ga(3-MeOsal) 2 BAPDMEN] 1+ radiopharmaceutical appears to have the best properties for myocardial imaging, exhibiting 2% of the injected dose in the heart 1 min and 2 h postinjection and very high heart/nontarget ratios (heart/blood ratios of 7.6±1.0 and 54±10 at 1 and 120 min, respectively; heart/liver ratios of 1.8±0.4 and 39±3 at 1 and 120 min, respectively). Conclusions: Most of these new agents, particularly [ 67/68 Ga][Ga(3-MeOsal) 2 BAPDMEN] 1+ , would appear superior to previously reported bis(salicylaldimine) ligands of N,N'-bis(3-aminopropyl)ethylenediamine as candidates for PET imaging of the heart with 68 Ga

Different efflux rates may determine the cellular accumulation of various bis(guanylhydrazones).

Science.gov (United States)

Alhonen-Hongisto, L; Fagerström, R; Laine, R; Elo, H; Jänne, J

1984-01-01

Three bis(guanylhydrazones) (those of methylglyoxal, glyoxal and ethylglyoxal) were compared for their affinity for the putative polyamine carrier and for their cellular retention in L1210 mouse leukaemia cells. All the bis(guanylhydrazones) inhibited equally effectively the uptake of spermidine by the tumour cells, indicating that the compounds had roughly equal affinity for the polyamine carrier. The fact that methylglyoxal bis(guanylhydrazone) and glyoxal bis(guanylhydrazone) were much more effectively concentrated in the animal cells than was ethylglyoxal bis(guanylhydrazone) was obviously attributable to the finding that the efflux rate of ethylglyoxal bis(guanylhydrazone) greatly exceeded that of the other bis(guanylhydrazones). The rate of efflux of the drugs was slowed down if the tumour cells were treated with 2-difluoromethylornithine before exposure to the bis(guanylhydrazones). These results suggest that intracellular binding of the bis(guanylhydrazones) determines their cellular accumulation. PMID:6431972

Thermal behavior of poly(2-hydroxyethyl methacrylate-bis-[trimethoxysilylpropyl]amine) networks

International Nuclear Information System (INIS)

Bustos Figueroa, L A; Salgado Delgado, R; García Hernandez, E; Vargas Galarza, Z; Rubio Rosas, E; Salgado Rodriguez, R

2013-01-01

Poly(HEMA-BisSi) networks were prepared by using acid-catalyzed sol-gel of bis-[trimethoxysilylpropyl]amine (BisSi) and free radical polymerization of 2-hydroxyethyl methacrylate (HEMA). The thermal properties of the poly(HEMA-BisSi) networks were investigated with differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The thermal behavior of these networks was also compared with homopolymers (The networks formed in both PHEMA and PBisSi gels were identified). The glass transition temperature (T g ) of PHEMA homopolymer was found as 103.74 °C. The thermal degradation of the poly(HEMA-BisSi) networks with different silica contents (e.g. 10, 15 and 25 wt%) were evaluated with use of DTG. It was observed that the thermal degradation temperature of poly(HEMA-BisSi) networks changed much with the BisSi content.

Maternal BIS Sensitivity, Overprotective Parenting, and Children’s Internalizing Behaviors

Science.gov (United States)

Kiel, Elizabeth J.; Maack, Danielle J.

2012-01-01

Although sensitivity to the Behavioral Inhibition System within Gray’s (1970) reinforcement sensitivity theory relates to individuals’ own depressive and anxious symptomatology, less is known about how parental BIS sensitivity relates to early indicators of internalizing problems in young children. Moreover, the extent to which this parental characteristic relates to parenting behavior, and children’s internalizing problems above and beyond parenting, remains unknown. The current study assessed maternal BIS sensitivity, overprotective parenting, and toddlers’ internalizing behaviors in a sample of 91 mothers while controlling for mothers’ own internalizing symptomatology. Heightened BIS sensitivity related to both overprotective parenting and internalizing behaviors. Overprotective parenting partially mediated the relation between BIS sensitivity and children’s internalizing behaviors, although BIS sensitivity maintained a marginal relation to internalizing behaviors. Maternal BIS sensitivity and toddler internalizing behaviors may represent a shared disposition towards inhibition that is somewhat accounted for by overprotective parenting. PMID:22904590

Gas adsorption/separation properties of metal directed self-assembly of two coordination polymers with 5-nitroisophthalate

Energy Technology Data Exchange (ETDEWEB)

Arıcı, Mürsel [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Yeşilel, Okan Zafer, E-mail: yesilel@ogu.edu.tr [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Keskin, Seda [Department of Chemical and Biological Engineering, Koç University, İstanbul (Turkey); Şahin, Onur [Scientific and Technological Research Application and Research Center, Sinop University, 57010 Sinop (Turkey)

2014-02-15

Two new coordination polymers, namely, [Co(µ-nip)(µ-bpe)]{sub n} (1) and [Zn(µ-nip)(µ-bpe)]{sub n} (2) (nip: 5-nitroisophthalate, bpe: 1,2-bis(4-pyridyl)ethane) were hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and thermal analysis. Moreover, atomically detailed simulation studies of complex 2 for CO{sub 2}/CH{sub 4} adsorption and separation were performed. Complex 1 consists of two dimensional (2D) (4,4) grid networks with the point symbol of 4{sup 4}.6{sup 2}. Complex 2 exhibits a 3-fold interpenetrating 3D framework with 6{sup 5}.8-dmp topology. Thermal properties of the complexes showed that both complexes were stable over 320 °C. Simulation studies demonstrated that complex 2 can separate CO{sub 2} from CH{sub 4} at low pressures at 273 K. - Graphical abstract: In this study, two new coordination polymers, namely, [Co(µ-nip)(µ-bpe)]{sub n} (1) and [Zn(µ-nip)(µ-bpe)]{sub n} (2) (nip: 5-nitroisophthalate, bpe: 1,2-bis(4-pyridyl)ethane) were hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction, IR spectroscopy, elemental analysis and thermal analysis. Moreover, atomically detailed simulation studies of complex 2 for CO{sub 2}/CH{sub 4} adsorption and separation were performed. Complex 1 consists of two dimensional (2D) (4,4) grid networks with the point symbol of 4{sup 4}.6{sup 2}. Complex 2 exhibits a 3-fold interpenetrating 3D framework with 6{sup 5}.8-dmp topology. Simulation studies demonstrated that complex 2 can separate CO{sub 2} from CH{sub 4} at low pressures at 273 K. Display Omitted - Highlights: • Two new coordination polymers with 5-nitroisophthalate and 1,2-bis(4-pyridyl)ethane. • Atomically detailed simulation studies of the complexes. • Complex 2 can be proposed as molecular sieve to separate CO{sub 2} from CH{sub 4} at low pressures.

Synthesis & Characterization of New bis-Symmetrical Adipoyl ...

African Journals Online (AJOL)

Full Title: Synthesis and Characterization of New bis-Symmetrical Adipoyl, Terepthaloyl, Chiral Diimido-di-L-alanine Diesters and Chiral Phthaloyl-L-alanine Ester of Tripropoxy p-tert-Butyl Calix[4]arene and Study of Their Hosting Ability for Alanine and Na+. Bis-symmetrical tripropoxy p-tert-butyl calix[4]arene esters were ...

Steric congestion at, and proximity to, a ferrous center leads to hydration of α-nitrile substituents forming coordinated carboxamides.

Science.gov (United States)

Thallaj, Nasser K; Orain, Pierre-Yves; Thibon, Aurore; Sandroni, Martina; Welter, Richard; Mandon, Dominique

2014-08-04

The question of the conversion of nitrile groups into amides (nitrile hydration) by action of water in mild and eco-compatible conditions and in the presence of iron is addressed in this article. We come back to the only known example of hydration of a nitrile function into carboxamide by a ferrous [Fe(II)] center in particularly mild conditions and very efficiently and demonstrate that these unusual conditions result from the occurrence of steric stress at the reaction site and formation of a more stable end product. Two bis(cyano-substituted) (tris 2-pyridyl methyl amine) ligands have been prepared, and the structures of the corresponding FeCl2 complexes are reported, both in the solid state and in solution. These two ligands only differ by the position of the nitrile group on the tripod in the α and β position, respectively, with respect to the pyridine nitrogen. In any case, intramolecular coordination is impossible. Upon action of water, the nitrile groups are hydrated however only if they are located in the α position. The fact that the β-substituted β-(NC)2TPAFeCl2 complex is not water sensitive suggests that the reaction proceeds in an intramolecular way at the vicinity of the metal center. In the bis α-substituted α-(NC)2TPAFeCl2 complex, both functions are converted in a very clean fashion, pointing out that this complex exhibits ligand flexibility and is not deactivated after the first hydration. At a preparative scale, this reaction allows the one-pot conversion of the bis(cyano-substituted) tripod into a bis(amido-substituted) one in particularly mild conditions with a very good yield. Additionally, the XRD structure of a ferric compound in which the two carboxamido ligands are bound to the metal in a seven-coordinate environment is reported.

Kinetics and mechanism of the conversion of a coordinated thiol to a coordinated disulfide by the one-equivalent oxidants neptunium(VI) and cobalt(III) in aqueous perchloric acid

International Nuclear Information System (INIS)

Woods, M.; Karbwang, J.; Sullivan, J.C.; Deutsch, E.

1976-01-01

Reaction of excess (2-mercaptoethylamine-N,S)bis(ethylenediamine)cobalt(III), I, with the 1-equiv oxidant Np(VI) (or Co 3+ (aq)) in aqueous perchloric acid media is shown to lead to (2-aminoethyl-N 2-ammonioethyl disulfide-S 1 ) bis(ethylenediamine)cobalt(III), II, according to the stoichiometry 5H + + 2I + Np(VI) → II + Co 2+ (aq) + Np(V) + 2enH 2 2+ . This reaction follows the rate law -d[I]/dt = k'' [I] [oxidant]. For Np(VI) as oxidant k'' is independent of [H + ]; at 25 0 C, μ = 1.00 M (LiClO 4 ), k'' = k 0 = 2842 +- 15 M -1 s -1 , ΔH 0 * = 7.57 +- 0.08 kcal/mol, and ΔS 0 * = -17.4 +- 0.3 eu. For Co 3+ (aq) as oxidant, k'' = k 0 + k/sub -1/[H + ] -1 where the inverse acid path is taken to reflect oxidation by CoOH 2+ (aq); at 25 0 C, μ = 1.00 M (LiClO 4 ), k 0 = 933 +- 32 M -1 s -1 , k/sub -1/ = 1152 +- 22 s -1 , ΔH 0 * = 12.5 +- 0.7 kcal/mol, ΔH*/sub -1/ = 18.0 +- 0.4 kcal/mol, ΔS 0 *= -3.1 +- 2.4 eu, and ΔS*/sub -1/ = 15.8 +- 1.2 eu. It is proposed that the conversion of I to II proceeds by initial 1-equiv oxidation of the coordinated thiol, reaction of the resultant coordinated thiol radical (RS.) with additional I to form a relatively stable radical ion dimer (RSSR. - ), and then internal electron transfer within the dimer to yield Co 2+ (aq) and II which contains a coordinated disulfide. The possible generality of this mechanism and its relevance to biological metal-thiol-disulfide interactions are noted

Crystal structure of tris(1,10-phenanthroline-κ2N,N′iron(II bis[bis(trifluoromethylsulfonylimide] monohydrate

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Kazunori Teramoto

2015-01-01

Full Text Available The crystal structure of the title complex, [Fe(C12H8N23][(CF3SO22N]2·H2O, is constructed by one octahedral [Fe(phen3]2+ (phen = 1,10-phenanthroline cation (point group symmetry 2, two Tf2N− [bis(trifluoromethylsulfonylimide] anions, and one water molecule of crystallization (point group 2. The Fe—N bond lengths are indicative of a d6 low-spin state for the FeII ion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6°. The Tf2N− counter-anion is non-coordinating, with the –CF3 groups arranged in a trans fashion with respect to each other, leading to an anti,anti conformation of the –CF3 groups and –SO2N– moieties relative to the S—C bonds. The water molecule of crystallization connects two O atoms of the Tf2N− anions through weak hydrogen bonds. C—H...O hydrogen-bonding interactions are also observed, consolidating the packing of the molecules into a three-dimensional network structure.

Steric modulation of coordination number and reactivity in the synthesis of lanthanoid(III) formamidinates.

Science.gov (United States)

Cole, Marcus L; Deacon, Glen B; Forsyth, Craig M; Junk, Peter C; Konstas, Kristina; Wang, Jun

2007-01-01

Reactions of a range of the readily prepared and sterically tunable N,N'-bis(aryl)formamidines with lanthanoid metals and bis(pentafluorophenyl)mercury (Hg(C6F5)2) in THF have given an extensive series of tris(formamidinato)lanthanoid(III) complexes, [Ln(Form)3(thf)n], namely [La(o-TolForm)3(thf)2], [Er(o-TolForm)3(thf)], [La(XylForm)3(thf)], [Sm(XylForm)3], [Ln(MesForm)3] (Ln=La, Nd, Sm and Yb), [Ln(EtForm)3] (Ln=La, Nd, Sm, Ho and Yb), and [Ln(o-PhPhForm)3] (Ln=La, Nd, Sm and Er). [For an explanation of the N,N'-bis(aryl)formamidinate abbreviations used see Scheme 1.] Analogous attempts to prepare [Yb(o-TolForm)3] by this method invariably yielded [{Yb(o-TolForm)2(mu-OH)(thf)}2], but [Yb(o-TolForm)3] was isolated from a metathesis synthesis. X-ray crystal structures show exclusively N,N'-chelation of the Form ligands and a gradation in coordination number with Ln3+ size and with Form ligand bulk. The largest ligands, MesForm, EtForm and o-PhPhForm give solely homoleptic complexes, the first two being six-coordinate, the last having an eta1-pi-Ar--Ln interaction. Reaction of lanthanoid elements and Hg(C6F5)2 with the still bulkier DippFormH in THF resulted in C--F activation and formation of [Ln(DippForm)2F(thf)] (Ln=La, Ce, Nd, Sm and Tm) complexes, and o-HC6F4O(CH2)4DippForm in which the formamidine is functionalised by a ring-opened THF that has trapped tetrafluorobenzyne. Analogous reactions between Ln metals, Hg(o-HC6F4)2 and DippFormH yielded [Ln(DippForm)2F(thf)] (Ln=La, Sm and Nd) and 3,4,5-F3C6H2O(CH2)4DippForm. X-ray crystal structures of the heteroleptic fluorides show six-coordinate monomers with two chelating DippForm ligands and cisoid fluoride and THF ligands in a trigonal prismatic array. The organometallic species [Ln(DippForm)2(C[triple chemical bond]CPh)(thf)] (Ln=Nd or Sm) are obtained from reaction of Nd metal, bis(phenylethynyl)mercury (Hg(C[triple chemical bond]CPh)2) and DippFormH, and the oxidation of [Sm(DippForm)2(thf)2] with Hg

Bis(pentamethylene)urea complexes of the lanthanide nitrates: synthesis, characterization, properties

International Nuclear Information System (INIS)

Souza, H.K.S. de; Pedrosa, A.M.G.; Marinho, E.P.M.; Batista, M.K.S.; Melo, D.M.A.; Zinner, K.; Zinner, L.B.; Zukerman-Schpector, J.; Vicentini, G.

2003-01-01

Lanthanide nitrate complexes of bis(pentamethylene)urea (BPMU) with general formula Ln(NO 3 ) 3 3BPMU, where Ln: La, Nd, Sm, Eu, Ho and Er have been prepared and characterized based on CHN elemental analyses, lanthanide titration with EDTA, molar conductivity, spectroscopic data and thermal studies. The infrared spectra show that ligands (BPMU) are bonded through the carbonyl oxygen, nitrate counter-ions are bidentate linked to the central ions. The structure of the neodymium complex was determined. The crystal is monoclinic, P2 1/c ,Z=4, with the following parameters: a=10.148(1) A, b=21.879(2), c=19.154(2) A, β=104.11(1) deg., V=4124.3(7) A 3 . The polyhedron is a distorted tricapped trigonal prism, coordination number nine

The crystal structure of tris(thenoyltrifluoroacetonato)bis(triphenylphosphine oxide)neodymium(III)

International Nuclear Information System (INIS)

Leipoldt, J.G.; Bok, L.D.C.; Laubscher, A.E.; Basson, S.S.

1975-01-01

The crystal structure of tris(thenoyltrifluoroacetonato)bis= x (triphenylphosphine oxide)neodymium(III), (Nd(TTa) 3 .2TPPO), has been determined by single crystal X-ray diffraction. A total number of 5505 independent reflections was used for the structure determination. The complex crystallized in the triclinic space group P 1 - with two molecules in the unit cell. The cell dimensions are a = 23.64 A, b Z= 12.15 A, C 11.19 A, α = 109.4 0 , β = 104.2 0 , γ = 90.8 0 . The final calculated R vale is 8.4%. The molecule is monomeric and the neodymium atom is coordinated to eight oxygen atoms (six from the three thenoyltrifluoroacetone groups and two from the two triphenylphosphine groups) which form a dodecahedron. The average neodymium-oxygen bond length is 2.44 A. (author)

Preparation of 177Lu-DTPA-BIS-BIOTIN and biodistribution evaluation in normal mice

International Nuclear Information System (INIS)

Deng Xinrong; Luo Zhifu; Du Jin

2010-01-01

The labeling method for 177 Lu-DTPA-BIS-BIOTIN was established, and the biodistribution of 177 Lu-DTPA-BIS-BIOTIN in normal mice was carried out as well. Under the optimal experimental condition (DTPA-BIS-BIOTIN 25 μg, pH=4.5 reacting at 80 degree C for 20 min), the labeling yield of 177 Lu-DTPA-BIS-BIOTIN is more than 99.0%. 177 Lu-DTPA-BIS-BIOTIN shows pretty good in vitro stability. The biodistribution of 177 Lu-DTPA-BIS-BIOTIN in normal mice shows a rapid blood clearance. The uptake of 177 Lu-DTPA-BIS-BIOTIN is mainly accumulated in liver, spleen and kidney. 177 Lu-DTPA-BIS-BIOTIN is excreted by kidney. The results provide the basis for further study on 177 Lu-DTPA-BIS-BIOTIN used in pretargeted radioimage and radiotherapy of cancer. (authors)

Synthesis and Biodistribution of Lipophilic Monocationic Gallium Radiopharmaceuticals Derived from N,N′-bis(3-aminopropyl)-N,N′-dimethylethylenediamine: Potential Agents for PET Myocardial Imaging with 68Ga

Science.gov (United States)

Hsiao, Yui-May; Mathias, Carla J.; Wey, Shiaw-Pyng; Fanwick, Phillip E.; Green, Mark A.

2009-01-01

Introduction In locations that lack nearby cyclotron facilities for radionuclide production, generator-based 68Ga-radiopharmaceuticals might have clinical utility for positron emission tomography (PET) studies of myocardial perfusion and other physiologic processes. Methods The lipophilic, monocationic 67Ga-labeled gallium chelates of five novel hexadentate bis(salicylaldimine) ligands, the bis(salicylaldimine), bis(3-methoxysalicylaldimine), bis(4-methoxysalicylaldimine), bis(6-methoxysalicylaldimine), and bis(4,6-dimethoxysalicylaldimine) of N,N′-bis(3-aminopropyl)-N,N′-dimethylethylenediamine (BAPDMEN), were prepared. The structure of the unlabeled [Ga(4-MeOsal)2BAPDMEN]+PF6− salt was determined by X-ray crystallography, and the biodistribution of each of the 67Ga-labeled gallium chelates determined in rats following i.v. administration and compared to the biodistribution of [86Rb]rubidium chloride. Results The [Ga(4-MeOsal)2BAPDMEN]+PF6− complex exhibits the expected pseudo-octahedral N4O22− coordination sphere about the Ga3+ center with a trans-disposition of the phenolate oxygen atoms. All five of the 67Ga-radiopharmaceuticals were found to afford the desired myocardial retention of the radiogallium. The [67/68Ga][Ga(3-MeOsal)2BAPDMEN]1+ radiopharmaceutical appears to have the best properties for myocardial imaging, exhibiting 2% of the injected dose in the heart at both 1-minute and 2-hours post-injection and very high heart/non-target ratios (heart/blood ratios of 7.6 ± 1.0 and 54 ± 10 at 1-min and 120-min, respectively; heart/liver ratios of 1.8 ± 0.4 and 39 ± 3 at 1-min and 120-min, respectively). Conclusions Most of these new agents, particularly [67/68Ga][Ga(3-MeOsal)2BAPDMEN]1+, would appear superior to previously reported bis(salicyaldimines) of N,N′-bis(3-aminopropyl)ethylenediamine as candidates for PET imaging of the heart with 68Ga. PMID:19181267

Cobalt bis(dicarbollide) ions with covalently bonded CMPO groups as selective extraction agents for lanthanide and actinide cations from highly acidic nuclear waste solutions

International Nuclear Information System (INIS)

Gruner, B.; Plesek, J.; Baca, J.; Cisarova, I.; Dozol, J.F.; Rouquette, H.; Vinas, C.; Selucky, P.; Rais, J.

2002-01-01

A new series of boron substituted cobalt bis(dicarbollide)(1-) ion (1) derivatives of the general formula [(8-CMPO-(CH 2 -CH 2 O) 2 -1,2-C 2 B 9 H 10 )(1',2'-C 2 B 9 H 11 )-3,3'-Co] - (CMPO = Ph 2 P(O)-CH 2 C(O)NR, R = C 4 H 9 (3b), -C 12 H 25 (4b), -CH 2 -C 6 H 5 (5b)) was prepared by ring cleavage of the 8-dioxane-cobalt bis(dicarbollide) (2) bi-polar compound by the respective primary amines and by subsequent reaction of the resulting amino derivatives (3a-5a) with the nitrophenyl ester of diphenyl-phosphoryl-acetic acid. The compounds were synthesized with the aim to develop a new class of more efficient extraction agents for liquid/liquid extraction of polyvalent cations, i.e. lanthanides and actinides, from high-level activity nuclear waste. All compounds were characterized by a combination of 11 B NMR, 1 H high field NMR, Mass Spectrometry with Electro-spray and MALDI TOF ionisation, HPLC and other techniques. The molecular structure of the supramolecular Ln 3+ complex of the anion 5b was determined by single crystal X-ray diffraction analysis. Crystallographic results proved that the Ln(m) atom is bonded to three functionalized cobalt bis(dicarbollide) anions in a charge compensated complex. The cation is tightly coordinated by six oxygen atoms of the CMPO terminal groups (two of each ligand) and by three water molecules completing the metal coordination number to 9. Atoms occupying the primary coordination sphere form a tri-capped trigonal prismatic arrangement. Very high liquid-liquid extraction efficiency of all anionic species was observed. Moreover, less polar toluene can be applied as an auxiliary solvent replacing the less environmentally friendly nitro- and chlorinated solvents used in the current dicarbollide liquid-liquid extraction process. The extraction coefficients are sufficiently high for possible technological applications. (authors)

Chiral bis(amino acid)- and bis(amino alcohol)-oxalamide gelators. Gelation properties, self-assembly motifs and chirality effects.

Science.gov (United States)

Frkanec, Leo; Zinić, Mladen

2010-01-28

Bis(amino acid)- and bis(amino alcohol)oxalamide gelators represent the class of versatile gelators whose gelation ability is a consequence of strong and directional intermolecular hydrogen bonding provided by oxalamide units and lack of molecular symmetry due to the presence of two chiral centres. Bis(amino acid)oxalamides exhibit ambidextrous gelation properties, being capable to form gels with apolar and also highly polar solvent systems and tend to organise into bilayers or inverse bilayers in hydrogel or organic solvent gel assemblies, respectively. (1)H NMR and FTIR studies of gels revealed the importance of the equilibrium between the assembled network and smaller dissolved gelator assemblies. The organisation in gel assemblies deduced from spectroscopic structural studies are in certain cases closely related to organisations found in the crystal structures of selected gelators, confirming similar organisations in gel assemblies and in the solid state. The pure enantiomer/racemate gelation controversy is addressed and the evidence provided that rac-16 forms a stable toluene gel due to resolution into enantiomeric bilayers, which then interact giving gel fibres and a network of different morphology compared to its (S,S)-enantiomer gel. The TEM investigation of both gels confirmed distinctly different gel morphologies, which allowed the relationship between the stereochemical form of the gelator, the fibre and the network morphology and the network solvent immobilisation capacity to be proposed. Mixing of the constitutionally different bis(amino acid) and bis(amino alcohol)oxalamide gelators resulted in some cases in highly improved gelation efficiency denoted as synergic gelation effect (SGE), being highly dependent also on the stereochemistry of the component gelators. Examples of photo-induced gelation based on closely related bis(amino acid)-maleic acid amide and -fumaramide and stilbene derived oxalamides where gels form by irradiation of the solution of

Construction of Six Coordination Polymers Based on a 5,5′-(1,2-Ethynyl)bis-1,3-benzenedicarboxylic Ligand: Synthesis, Structure, Gas Sorption, and Magnetic Properties

KAUST Repository

Zheng, Bing

2013-03-06

Six novel coordination polymers based on a multifunctional ligand, 5,5\\'-(1,2-ethynyl)bis-1,3-benzenedicarboxylic (H4EBDC), namely, |(C3H7NO)2(H2O)7(C 2H5OH)3| [Zn2(C18H 6O8)(C10H8N2) 2] (1), |(C3H7NO)3(H2O)30- (CH3CN)2|[Zn 6(C18H6O8)3(C 6H12N2O2)2] (2), |(C 3H7NO)2- (H2O)2(H 3O)2|[Cd3(C18H6O 8)2] (3), |(C3H7NO)|[Mn- (C 18H8O8)(C3H7NO) 2] (4), |(C3H7NO)2(H2O)(C 2H7N)3| [Mn6(C18H 7O8)4(H2O)8] (5), and [Mn2(C18H6O8)(C3H 7NO)2] (6), have been constructed under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. In these compounds, the ligand, H4EBDC, exhibits different coordination modes and conformations, constructing various architectures by bridging a variety of metal ions or polynuclear clusters. Compound 1 forms a three-dimensional (3D) FSC network constructed from two-dimensional (2D) layer motifs joined by EBDC4- and 4,4\\'-bipyridine bridges. Compound 2 possesses an NbO topology by linking Zn2(CO2)4 units with the ligand, coordinated amine molecules fill the pores, while compound 3 exhibits a 3D FLU network with Cd2+ as the cation and features an infinite framework built from tricadmium clusters. Compound 4 is based on PtS net, constructed of 4-connected rectangular H4EBDC units with tetrahedral monometallic Mn(CO2)4 nodes. Compound 5 is composed of 2D layers with (3,6)-connected KGD topology, and compound 6 consists of a 3D PtS-X network, built by bridging a metal chain with the ligand. The structures of these compounds have been discussed together with their corresponding properties, such as gas storage, separation, and magnetic properties. © 2013 American Chemical Society.

Two three-dimensional coordination polymers of lead(II) with iminodiacetate and naphthalene-dicarboxylate anions: Synthesis, characterization and luminescence behavior

Energy Technology Data Exchange (ETDEWEB)

Hazari, Debdoot; Jana, Swapan Kumar [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721 102, West Bengal (India); Fleck, Michel [Institute of Mineralogy and Crystallography, University of Vienna, Geozentrum, Althanstr. 9, A-1090 Vienna (Austria); Zangrando, Ennio [Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste (Italy); Dalai, Sudipta, E-mail: sudipta@mail.vidyasagar.ac.in [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721 102, West Bengal (India)

2014-11-15

Two lead(II) compounds [Pb{sub 3}(idiac){sub 3}(phen){sub 2}(H{sub 2}O)]·2(H{sub 2}O) (1) and [Pb(ndc)]{sub n} (2), where H{sub 2}idiac=iminodiacetic acid, phen=1,10-phenanthroline and H{sub 2}ndc=naphthalene-2,6-dicarboxylic acid, have been synthesized and structurally characterized. Single crystal X-ray diffraction analysis showed that compound 1 is a discrete trinuclear complex (of two-fold symmetry) which evolves to a supramolecular 3D network via π–π interactions, while in compound 2 the naphthalene dicarboxylate anion act as a linker to form a three dimensional architecture, where the anion adopts a bis-(bidentate bridging) coordination mode connecting four Pb(II) centers. The photoluminescence property of the two complexes has been studied. - graphical abstract: Two new topologically different 1D coordination polymers formed by Pb{sub 4} clusters have been synthesized and characterized by x-ray analysis. The luminescence and thermal properties have been studied. - Highlights: • 1 is a trinuclear complex of Pb(II) growing to 3D network via weak interactions. • In 1, layers of (4,4) rhomboidal topology are identified. • In 2, the ndc anion adopts interesting bis-(bidentate bridging) coordination. • In 2, network is reinforced by C–H…π-ring interactions between the ndc rings.

Glyoxal bis(guanylhydrazone) as an inhibitor of polyamine biosynthesis in tumour cells.

Science.gov (United States)

Seppänen, P; Fagerström, R; Alhonen-Hongisto, L; Elo, H; Lumme, P; Jänne, J

1984-07-15

Glyoxal bis(guanylhydrazone), the parent compound of methylglyoxal bis(guanylhydrazone), was synthesized and tested for its ability to inhibit the biosynthesis of polyamines. It was found to be a powerful competitive inhibitor of adenosylmethionine decarboxylase (EC 4.1.1.50), yet the lack of the methyl group at the glyoxal portion increased the apparent Ki value for the enzyme by about 30-fold in comparison with methylglyoxal bis(guanylhydrazone). Glyoxal bis(guanylhydrazone) inhibited diamine oxidase (EC 1.4.3.6) activity as effectively as did methylglyoxal bis(guanylhydrazone). The cellular accumulation curves of glyoxal bis(guanylhydrazone) in L1210 cells were practically superimposable with those of methylglyoxal bis(guanylhydrazone), and the uptake of both compounds was distinctly stimulated by a prior treatment with 2-difluoromethylornithine. The drug decreased the concentration of spermidine in a dose-dependent manner and, in contrast with methylglyoxal bis(guanylhydrazone), without a concomitant accumulation of putrescine. The fact that putrescine concentrations were decreased in cells exposed to glyoxal bis(guanylhydrazone) was, at least in part, attributable to an inhibition of ornithine decarboxylase (EC 4.1.1.17) activity in cells treated with the compound. Under these experimental conditions equivalent concentrations of methylglyoxal bis(guanylhydrazone) [1,1'-[(methylethanediylidine)dinitrilo]diguanidine] elicited large increases in the enzyme activity. When combined with difluoromethylornithine, glyoxal bis(guanylhydrazone) potentiated the growth-inhibitory effect of that drug. Taking into consideration the proven anti-leukaemic activity of glyoxal bis(guanylhydrazone), its effectiveness to inhibit spermidine biosynthesis (without raising the concentration of putrescine) as well as its suitability for combined use with inhibitors of ornithine decarboxylase, this drug is apparently worthy of further testing in tumour-bearing animals, especially in

Ethylglyoxal bis(guanylhydrazone) as an inhibitor of polyamine biosynthesis in L1210 leukemia cells.

Science.gov (United States)

Seppänen, P; Ruohola, H; Jänne, J

1984-04-16

Ethylglyoxal bis(guanylhydrazone), a close derivative of the known anti-cancer drug methylglyoxal bis(guanylhydrazone), is also a powerful inhibitor of S-adenosylmethionine decarboxylase (EC 4.1.1.50), the enzyme needed for the synthesis of spermidine and spermine. There were, however, marked differences between the ethyl and methyl derivatives of glyoxal bis(guanylhydrazone) when tested in cultured L1210 cells. The cellular accumulation of ethylglyoxal bis(guanylhydrazone) represented only a fraction (20-25%) of that of the methyl derivative. Moreover, polyamine depletion, which is known to strikingly stimulate the uptake of methylglyoxal bis(guanylhydrazone), decreased, if anything, the uptake of ethylglyoxal bis(guanylhydrazone) by L1210 cells. The compound produced spermidine and spermine depletion fully comparable to that achieved with methylglyoxal bis(guanylhydrazone) at micromolar concentrations. Ethylglyoxal bis(guanylhydrazone) was growth-inhibitory to L1210 cells and produced an additive antiproliferative action when used together with 2-difluoromethylornithine. Ethylglyoxal bis(guanylhydrazone) was distinctly less effective than methylglyoxal bis(guanylhydrazone) in releasing bound polyamines from isolated cell organelles in vitro. Ethylglyoxal bis(guanylhydrazone) was also devoid of the early and profound mitochondrial toxicity typical to methylglyoxal bis(guanylhydrazone). These findings may indicate that this compound is a more specific inhibitor of polyamine biosynthesis with less intracellular polyamine 'receptor-site' activity than methylglyoxal bis(guanylhydrazone).

Di-μ-iodido-bis{[(R-(+-2,2′-bis(diphenylphosphanyl-1,1′-binaphthyl-κ2P,P′]copper(I} 0.67-hydrate

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Daniel Volz

2012-04-01

Full Text Available The structure of the title compound, [Cu2I2(C44H32P22]·0.67H2O, has been determined because of its interesting catalytic and optical features. The molecule, which has non-crystallographic C2-symmetry, consists of a core structure of two CuI ions, bridged by two iodide ions. Each CuI ion is also coordinated by one equivalent of the chiral bidentate (R-BINAP ligand [BINAP = 2,2′-bis(diphenylphosphanyl-1,1′-binaphthyl]. Thus, both cations show a distorted tetrahedral geometry being surrounded by two I atoms and two P atoms from the (R-BINAP ligands. The complex consists of isolated butterfly-shaped molecules featuring an angle of 146.11 (2° between adjacent CuI2 planes. The structure displays intramolecular C—H...I hydrogen bonding and contains disordered water. The absolute configuration of this chiral complex was determined by anomalous dispersion effects.

Tungsten(VI) Carbyne/Bis(carbene) Tautomerization Enabled by N-Donor SBA15 Surface Ligands: A Solid-State NMR and DFT Study

KAUST Repository

Bendjeriou-Sedjerari, Anissa

2016-08-11

Designing supported well-defined bis(carbene) complexes remains a key challenge in heterogeneous catalysis. The reaction of W(CtBu)(CH(2)tBu)(3) with amine-modified mesoporous SBA15 silica, which has vicinal silanol/silylamine pairs [(SiOH)(SiNH2)], leads to [(SiNH2-)(SiO-)W(CHtBu)(CH(2)tBu)(2)] and [(SiNH2-)(SiO-)W(=CHtBu)(2)(CH(2)tBu). Variable temperature, H-1-H-1 2D double-quantum, H-1-C-13 HETCOR, and HETCOR with spin diffusion solid-state NMR spectroscopy demonstrate tautomerization between the alkyl alkylidyne and the bis(alkylidene) on the SBA15 surface. Such equilibrium is possible through the coordination of W to the surface [(Si-OH)(Si-NH2)] groups, which act as a [N,O] pincer ligand. DFT calculations provide a rationalization for the surface-complex tautomerization and support the experimental results. This direct observation of such a process shows the strong similarity between molecular mechanisms in homogeneous and heterogeneous catalysis. In propane metathesis (at 150 degrees C), the tungsten bis(carbene) tautomer is favorable, with a turnover number (TON) of 262. It is the highest TON among all the tungsten alkyl-supported catalysts.

Tungsten(VI) Carbyne/Bis(carbene) Tautomerization Enabled by N-Donor SBA15 Surface Ligands: A Solid-State NMR and DFT Study

KAUST Repository

Bendjeriou-Sedjerari, Anissa; Sofack-Kreutzer, Julien; Minenkov, Yury; Abou-Hamad, Edy; Hamzaoui, Bilel; Werghi, Baraa; Anjum, Dalaver H.; Cavallo, Luigi; Huang, Kuo-Wei; Basset, Jean-Marie

2016-01-01

Designing supported well-defined bis(carbene) complexes remains a key challenge in heterogeneous catalysis. The reaction of W(CtBu)(CH(2)tBu)(3) with amine-modified mesoporous SBA15 silica, which has vicinal silanol/silylamine pairs [(SiOH)(SiNH2)], leads to [(SiNH2-)(SiO-)W(CHtBu)(CH(2)tBu)(2)] and [(SiNH2-)(SiO-)W(=CHtBu)(2)(CH(2)tBu). Variable temperature, H-1-H-1 2D double-quantum, H-1-C-13 HETCOR, and HETCOR with spin diffusion solid-state NMR spectroscopy demonstrate tautomerization between the alkyl alkylidyne and the bis(alkylidene) on the SBA15 surface. Such equilibrium is possible through the coordination of W to the surface [(Si-OH)(Si-NH2)] groups, which act as a [N,O] pincer ligand. DFT calculations provide a rationalization for the surface-complex tautomerization and support the experimental results. This direct observation of such a process shows the strong similarity between molecular mechanisms in homogeneous and heterogeneous catalysis. In propane metathesis (at 150 degrees C), the tungsten bis(carbene) tautomer is favorable, with a turnover number (TON) of 262. It is the highest TON among all the tungsten alkyl-supported catalysts.

2,6-Bis(oxazolinyl)phenylnickel(II) Bromide and 2,6-Bis(ketimine)phenylnickel(II) Bromide: Synthesis, Structural Features, and Redox Properties

NARCIS (Netherlands)

Stol, M.; Snelders, D.J.M.|info:eu-repo/dai/nl/304836257; Godbole, M.D.; Havenith, R.W.A.|info:eu-repo/dai/nl/205279546; Haddleton, D.M.; Clarkson, G.; Lutz, M.|info:eu-repo/dai/nl/304828971; Spek, A.L.|info:eu-repo/dai/nl/156517566; van Klink, G.P.M.|info:eu-repo/dai/nl/170637964; van Koten, G.|info:eu-repo/dai/nl/073839191

2007-01-01

2,6-Bis(oxazolinyl)phenylnickel bromide complexes [NiBr(R,R'-Phebox)] (2) were synthesized via two synthetic routes (A and B). In route A, selective bis-ortho lithiation of [R,R'-PheboxBr], followed by a transmetalation reaction with [NiBr2(PEt3)2], yielded not only complexes 2 with an

Novel dimeric bis(7)-tacrine proton-dependently inhibits NMDA-activated currents

International Nuclear Information System (INIS)

Luo, Jialie; Li, Wenming; Liu, Yuwei; Zhang, Wei; Fu, Hongjun; Lee, Nelson T.K.; Yu, Hua; Pang, Yuanping; Huang, Pingbo; Xia, Jun; Li, Zhi-Wang; Li, Chaoying; Han, Yifan

2007-01-01

Bis(7)-tacrine has been shown to prevent glutamate-induced neuronal apoptosis by blocking NMDA receptors. However, the characteristics of the inhibition have not been fully elucidated. In this study, we further characterize the features of bis(7)-tacrine inhibition of NMDA-activated current in cultured rat hippocampal neurons. The results show that with the increase of extracellular pH, the inhibitory effect decreases dramatically. At pH 8.0, the concentration-response curve of bis(7)-tacrine is shifted rightwards with the IC 50 value increased from 0.19 ± 0.03 μM to 0.41 ± 0.04 μM. In addition, bis(7)-tacrine shifts the proton inhibition curve rightwards. Furthermore, the inhibitory effect of bis(7)-tacrine is not altered by the presence of the NMDA receptor proton sensor shield spermidine. These results indicate that bis(7)-tacrine inhibits NMDA-activated current in a pH-dependent manner by sensitizing NMDA receptors to proton inhibition, rendering it potentially beneficial therapeutic effects under acidic conditions associated with stroke and ischemia

Vapor deposition of molybdenum oxide using bis(ethylbenzene) molybdenum and water

International Nuclear Information System (INIS)

Drake, Tasha L.; Stair, Peter C.

2016-01-01

Three molybdenum precursors—bis(acetylacetonate) dioxomolybdenum, molybdenum isopropoxide, and bis(ethylbenzene) molybdenum—were tested for molybdenum oxide vapor deposition. Quartz crystal microbalance studies were performed to monitor growth. Molybdenum isopropoxide and bis(ethylbenzene) molybdenum achieved linear growth rates 0.01 and 0.08 Å/cycle, respectively, using atomic layer deposition techniques. Negligible MoO_x growth was observed on alumina powder using molybdenum isopropoxide, as determined by inductively coupled plasma optical emission spectroscopy. Bis(ethylbenzene) molybdenum achieved loadings of 0.5, 1.1, and 1.9 Mo/nm"2 on alumina powder after one, two, and five cycles, respectively, using atomic layer deposition techniques. The growth window for bis(ethylbenzene) molybdenum is 135–150 °C. An alternative pulsing strategy was also developed for bis(ethylbenzene) molybdenum that results in higher growth rates in less time compared to atomic layer deposition techniques. The outlined process serves as a methodology for depositing molybdenum oxide for catalytic applications. All as-deposited materials undergo further calcination prior to characterization and testing.

Glyoxal bis(guanylhydrazone) as an inhibitor of polyamine biosynthesis in tumour cells.

OpenAIRE

Seppänen, P; Fagerström, R; Alhonen-Hongisto, L; Elo, H; Lumme, P; Jänne, J

1984-01-01

Glyoxal bis(guanylhydrazone), the parent compound of methylglyoxal bis(guanylhydrazone), was synthesized and tested for its ability to inhibit the biosynthesis of polyamines. It was found to be a powerful competitive inhibitor of adenosylmethionine decarboxylase (EC 4.1.1.50), yet the lack of the methyl group at the glyoxal portion increased the apparent Ki value for the enzyme by about 30-fold in comparison with methylglyoxal bis(guanylhydrazone). Glyoxal bis(guanylhydrazone) inhibited diami...

40 CFR 721.982 - Calcium, bis(2,4-pentanedionato-O,O′).

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Calcium, bis(2,4-pentanedionato-O,Oâ²... Substances § 721.982 Calcium, bis(2,4-pentanedionato-O,O′). (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance calcium, bis(2,4-pentanedionato-O,O′) (PMN P-93-214, CAS...

Low coordinated mononuclear erbium(iii) single-molecule magnets with C3v symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.

Science.gov (United States)

Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K; Kitagawa, Yasutaka; Yamashita, Masahiro

2018-01-02

Structures and magnetic characteristics of two three-coordinate erbium(iii) compounds with C 3v geometry, tris(2,6-di-tert-butyl-p-cresolate)erbium, Er(dbpc) 3 (1) and tris(bis(trimethylsilyl)methyl)erbium, Er(btmsm) 3 (2), were determined. Both underwent temperature-dependent slow magnetic relaxation processes in the absence of an external magnetic field. As a result of the differences in the coordination environment, they exhibit different energy barriers and quantum tunneling of magnetization (QTM) constants.

Activity-guided isolation of cytotoxic bis-bibenzyl constituents from Dumortiera hirsuta.

Science.gov (United States)

Toyota, Masao; Ikeda, Risa; Kenmoku, Hiromichi; Asakawa, Yoshinori

2013-01-01

Activity-guided fractionation of the ether extract of Dumortiera hirsute (Japanese liverwort), using cytotoxicity testing with cultured HL 60 and KB cells, resulted in the isolation of a new cytotoxic bis-bibenzyl compound, along with the two known bis-bibenzyls: isomarchantin C and isoriccardin C. The structural determination of the new bis-bibenzyl through extensive NMR spectral data indicated a derivative of marchantin A, which has been isolated from the liverwort Marchantia polymorpha. The cytotoxicity of the bis-bibenzyls was evaluated by the MTT (3-(4,5-di-methylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay using cultured HL 60 and KB cells.

[1,4-Bis(diphenylphosphanylbutane-κ2P,P′]dibromidopalladium(II

Directory of Open Access Journals (Sweden)

Kwang Ha

2014-02-01

Full Text Available In the title complex, [PdBr2(C28H28P2], the PdII ion has a distorted cis-Br2P2 square-planar coordination geometry defined by two P atoms from the chelating 1,4-bis(diphenylphosphanylbutane ligand and two Br− anions. The four phenyl rings are inclined to the least-squares plane of the PdBr2P2 unit [maximum deviation = 0.1294 (7 Å], making dihedral angles of 66.3 (2, 87.2 (2, 68.8 (2 and 86.8 (2°. The butylene chain is in a gauche conformation, with a C—C—C—C torsion angle of 57.0 (8°. Intermolecular C—H...Br hydrogen bonds link the complex molecules into supramolecular layers in the ab plane. Weak π–π interactions, both intra- and intermolecular [shortest inter-centroid distance = 4.598 (5 Å], are also noted in the three-dimensional architecture.

Influence of bulky substituents on the regioselective group-transfer reactions of diorganozinc compounds with N,N'-bis(2,6-di-isopropylphenyl)-1,4-diaza-1,3-butadiene

NARCIS (Netherlands)

Koten, G. van; Wissing, E.; Gorp, K. van; Boersma, J.

1994-01-01

Diorganozinc compounds R{2}Zn (R=alkyl or aryl) react with N, N'-bis(2,6-di-isopropylphenyl)-1,4-diaza-1,3-butadiene, (i-Pr{2}Ph)N@?CHCHp@?N(i-Pr{2}Ph) (i-Pr{2}Ph-DAB) to give thermally unstable 1:1 coordination complexes R{2}Zn(i-Pr2Ph-DAB), which subsequently undergo a slow regioselective alkyl or

Relation between constructs of BisBas questionnaire and some personality constructs

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Nataša Sedlar

2008-04-01

Full Text Available The goal of this study was to examine relation between constructs relevant for Gray's neuropsychological model of motivation. According to Gray's theory, two general motivational systems underlie behavior and affect: a behavioral inhibition system (BIS and a behavioral activation system (BAS. BIS is sensitive to aversive stimuli, causes avoidance behaviors and is responsible for individual differences in anxiety. BAS is responsive to appetitive stimuli, triggers approach behavior and has been associated with individual differences in impulsivness. BIS activity has been related to the experience of negative emotions, whereas BAS activity has been associated with the experience of positive emotions. A total of 122 Slovenian students, aged 17–19 years, completed the BIS/BAS scale, the Impulsiveness-Venturesome-Empathy Scale IVE, State Trait Anxiety Inventory STAI-X2, The Positive and Negative Affect Schedule PANAS, and The Big Five Questionairre BFQ. Our results are consistent with those from recent empirical studies and provide support for Gray's theory. Measures of BIS were found to be positively related to trait anxiety and neuroticism, whereas measures of BAS were found to be positively related to impulsiveness and extraversion. Emotional component measured with PANAS did not distinguish BIS from BAS constructs. Both were found to be related to negative affect. With respect to construct validity these findings suggest that BIS/BAS scale is reasonably effective.

Crystal structure of [butane-2,3-dione bis(4-methylthiosemicarbazonato-κ4S,N1,N1′,S′](pyridine-κNzinc(II

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Oliver C. Brown

2015-11-01

Full Text Available In the structure of the title complex, [Zn(C8H14N6S2(C5H5N], the ZnII ion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis(thiosemicarbazonate N2S2 donor atoms. Chains sustained by intermolecular N—H...N and N—H...S hydrogen-bonding interactions extend parallel to [10-1].

Poly[μ-(1-azaniumylethane-1,1-diyl)- bis(hydrogen phosphonato)sodium]: A powder X-ray diffraction study

International Nuclear Information System (INIS)

Rukiah, M.; Assaad, T.

2015-01-01

The title two-dimensional coordination polymer, [Na(C2H8NO6P2)]n, was characterized using powder X-ray diffraction data and its structure refined using the Rietveld method. The asymmetric unit contains one Na(+) cation and one (1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonate) anion. The central Na(+) cation exhibits distorted octahedral coordination geometry involving two deprotonated O atoms, two hydroxy O atoms and two double-bonded O atoms of the bisphosphonate anion. Pairs of sodium-centred octahedra share edges and the pairs are in turn connected to each other by the biphosphonate anion to form a two-dimensional network parallel to the (001) plane. The polymeric layers are connected by strong O-H...O hydrogen bonding between the hydroxy group and one of the free O atoms of the bisphosphonate anion to generate a three-dimensional network. Further stabilization of the crystal structure is achived by N-H...O and O-H...O hydrogen bonding.(author)

Crystal structure of bis(azido-κNbis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]cobalt(II

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Abdelhakim Laachir

2015-05-01

Full Text Available In the mononuclear title complex, [Co(N32(C12H8N4S2], the cobalt(II atom is located on an inversion centre and displays an axially weakly compressed octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by N atoms of the azide anions. The thiadiazole and pyridine rings linked to the metal are almost coplanar, with a maximum deviation from the mean plane of 0.0273 (16 Å. The cohesion of the crystal is ensured by weak C—H...N hydrogen bonds and by π–π interactions between pyridine rings [intercentroid distance = 3.6356 (11 Å], forming a layered arrangement parallel to (001. The structure of the title compound is isotypic with that of the analogous nickel(II complex [Laachir et al. (2013. Acta Cryst. E69, m351–m352].

Crystal structure of bis(azido-κNbis[2,5-bis(pyridin-2-yl-1,3,4-thiadiazole-κ2N2,N3]nickel(II

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Abdelhakim Laachir

2015-02-01

Full Text Available Reaction of 2,5-bis(pyridin-2-yl-1,3,4-thiadiazole and sodium azide with nickel(II triflate yielded the mononuclear title complex, [Ni(N32(C12H8N4S2]. The NiII ion is located on a centre of symmetry and is octahedrally coordinated by four N atoms of the two bidentate heterocyclic ligands in the equatorial plane. The axial positions are occupied by the N atoms of two almost linear azide ions [N—N—N = 178.8 (2°]. The thiadiazole and pyridine rings of the heterocyclic ligand are almost coplanar, with a maximum deviation from the mean plane of 0.0802 (9 Å. The cohesion of the crystal structure is ensured by π–π interactions between parallel pyridine rings of neighbouring molecules [centroid-to-centroid distance = 3.6413 (14 Å], leading to a layered arrangement of the molecules parallel to (001.

Biological Activity and Molecular Structures of Bis(benzimidazole and Trithiocyanurate Complexes

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Pavel Kopel

2015-06-01

Full Text Available 1-(1H-Benzimidazol-2-yl-N-(1H-benzimidazol-2-ylmethylmethanamine (abb and 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl-1H-benzimidazole (tbb have been prepared and characterized by elemental analysis. These bis(benzimidazoles have been further used in combination with trithiocyanuric acid for the preparation of complexes. The crystal and molecular structures of two of them have been solved. Each nickel atom in the structure of trinuclear complex [Ni3(abb3(H2O3(μ-ttc](ClO43·3H2O·EtOH (1, where ttcH3 = trithiocyanuric acid, is coordinated with three N atoms of abb, the N,S donor set of ttc anion and an oxygen of a water molecule. The crystal of [(tbbH2(ttcH22(ttcH3(H2O] (2 is composed of a protonated bis(benzimidazole, two ttcH2 anions, ttcH3 and water. The structure is stabilized by a network of hydrogen bonds. These compounds were primarily synthesized for their potential antimicrobial activity and hence their possible use in the treatment of infections caused by bacteria or yeasts (fungi. The antimicrobial and antifungal activity of the prepared compounds have been evaluated on a wide spectrum of bacterial and yeast strains and clinical specimens isolated from patients with infectious wounds and the best antimicrobial properties were observed in strains after the use of ligand abb and complex 1, when at least 80% growth inhibition was achieved.

Tetrakis[bis(pyridin-2-ylamine-κN2](nitrato-κOsilver(I

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Yuliia Parashchenko

2014-02-01

Full Text Available In the title complex, [Ag(NO3(C10H9N34], the nitrate ligand is found to be disordered over two sets of positions, with occupancy factors of 0.473 (5 and 0.527 (5. The AgI ion is located in a square-pyramidal coordination environment formed by four N atoms from four bis(pyridin-2-ylamine ligands and one O atom from a nitrate ligand. Weak interactions between the AgI ions and the nitrate anions acting in a monodentate mode [Ag...O = 2.791 (13 and 2.816 (9 Å for the major component of the nitrate ligand, and 2.865 (8 and 2.837 (8 Å for the minor component] link the complex molecules into a chain along [001]. N—H...O hydrogen bonds are observed.

Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands

International Nuclear Information System (INIS)

Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya

2014-01-01

Four new coordination polymers ([Ni(4-Nbdc)(bpa)(H 2 O)]) n (1), ([Co(4-Nbdc)(bpp) (H 2 O)]) n (2), ([Ni(4-Nbdc)(bpp)(H 2 O)]·H 2 O) n (3), and ([Mn 2 (3-Nbdc) 2 (bib) 3 ]·2H 2 O) n (4) (4-Nbdc=4-nitrobenzene-1,2-dicarboxylate, 3-Nbdc=3-nitrobenzene-1,2-dicarboxylate, bpa=1,2-bi(4-pyridyl)ethane, bpp=1,3-bis(4-pyridyl)propane, and bib=1,4-bis(1-imidazoly)benzene), were synthesized by hydrothermal reactions, and characterized by single-crystal X-ray diffractions, elemental analysis, FT-IR, PXRD, TGA and magnetic analysis. Complexes 1 and 2 display quasi-trapezoidal chain and brick-wall layer, and both of them contain metal–carboxylate binuclear units. Complexes 3 and 4 exhibit three-dimensional frameworks with the (6 6 ) dia topology and (4 4 .6 10 .8)(4 4 .6 2 ) fsc topology, and both of them contain metal–carboxylate chains. The carboxyl groups with syn-anti coordination mode mediate effectively the weak ferromagnetic coupling interaction within Ni(II)–carboxylate binuclear in 1 (J=1.27 cm −1 ) and Ni(II)–carboxylate chain in 3 (J=1.44 cm −1 ), respectively, and the carboxyl groups with anti-anti coordination mode leads to the classic antiferromagnetic coupling interaction within Mn(II)–carboxylate chain in 4 (J=−0.77 cm −1 ). - Highlights: • Four novel coordination polymers were hydrothermally synthesized. • 1 is 1D quasi-trapezoidal chain and 2 is brick-wall layer both with dinuclear units. • 3 and 4 show 3D frameworks both with 1D metal–carboxylate chains. • 1 and 3 exhibit ferromagnetic coupling, while 4 shows antiferromagnetic coupling

Dust Measurement of Two Organophosphorus Flame Retardants, Resorcinol Bis(diphenylphosphate) (RBDPP) and Bisphenol A Bis(diphenylphosphate) (BPA-BDPP), Used as Alternatives for BDE-209

NARCIS (Netherlands)

Brandsma, S.H.; Sellström, U.; de Wit, C.A.; de Boer, J.; Leonards, P.E.G.

2013-01-01

Resorcinol bis(diphenylphosphate) (RBDPP) and bisphenol A bis(diphenylphosphate) (BPA-BDPP) are two halogen-free organophosphorus flame retardant (PFRs) that are used as an alternative for the decabromodiphenyl ether (Deca-BDE) technical mixture in TV/flatscreen housing and other electronic consumer

LA REINCIDENCIA VULNERA EL “NON BIS IN IDEM”

OpenAIRE

Roger Cabrera Paredes

2011-01-01

El presente artículo explica como la “Reincidencia vulnera el  Non bis in ídem”; empezamos con la “Introducción” que comprende los antecedentes, la formulación del problema y la justificación de esta investigación. Continuamos con las “Bases Teóricas”, la misma que comprende el sentido de los principios penales, el principio “Non bis in Idem”, la Reincidencia y la Problemática de la Reincidencia como vulneración del Principio Non bis in ídem. En la “Metodología”, encontramos la tipología y me...

Bis(phenylethylamide) derivatives of Gd-DTPA as potential receptor-specific MRI contrast agents

OpenAIRE

Laurent, Sophie; Parac-Vogt, Tatjana; Kimpe, Kristof; Thirifays, Coralie; Binnemans, Koen; Muller, Robert N.; Vander Elst, Luce

2007-01-01

DTPA-bis(amide) derivatives bearing phenyl, phenol or catechol groups that mimic side chains of naturally occurring amino acids, such as phenylatanine, tyrosine or dopamine, were synthesized and characterized by elemental analysis, electrospray mass spectrometry, NMR spectroscopy and IR spectroscopy. The gadolinium(III) complexes of the ligands DTPA-bis(tyramide) [DTPA-(TA)(2)], DTPA-bis(3-hydroxytyramide) [DTPA-(HTA)(2)] and DTPA-bis(phenylalanine ethyl ester) [DTPA-(PAE)(2)], were prepared ...

New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates

International Nuclear Information System (INIS)

Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing

2015-01-01

Under the hydrothermal conditions, the reactions of transition-metal salts, tetracarboxylic acids and N,N′-donor ligands yielded three new coordination polymers as [Cu 4 (fph) 2 (bpe) 3 (H 2 O) 2 ]·2H 2 O (fph=4,4′-(hexafluoroisopropylidene)diphthalate, bpe=1,2-bis(pyridyl)ethylene) 1, [Co 2 (fph)(bpa) 2 (H 2 O) 2 ]·3H 2 O (bpa=1,2-bis(pyridyl)ethylane) 2, and [Ni(H 2 O)(H 2 oph)(bpa)] (oph=4,4′-oxydiphthalate) 3. X-ray single-crystal diffraction analysis revealed that the title three compounds all possess the three-dimensional (3-D) network structures. For compound 1, the fph molecules first link the Cu 2+ ions into a two-dimensional (2-D) wave-like layer with a (4,4) topology. The bpe molecules act as the second linkers, extending the 2-D layers into a 3-D network. For compound 2, the fph molecules still serve as the first connectors, linking the Co 2+ ions into a one-dimensional (1-D) tube-like chain. Then the bpa molecules propagate the chains into a 3-D (4,4,4)-connected network. In the formation of the 3-D network of compound 3, the oph molecule does not play a role. The bpa molecules as well as the water molecules act as a mixed bridge. Only a kind of 4-connected metal node is observed in compound 3. The magnetic properties of compounds 1–3 were investigated and all exhibit the predominant antiferromegnetic magnetic behaviors. - Graphical abstract: Structures of three semi-rigid V-shape tetracarboxylate-based coordination polymers were reported, and their magnetic properties were investigated. - Highlights: • Structures of three tetracarboxylate-based coordination polymers were reported. • Role of organic bases in metal–tetracarboxylate compounds was discussed. • Characters of V-shape and semi-rigidity for tetracarboxylate play a key role in crystal growth. • Their magnetic properties were investigated

New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates

Energy Technology Data Exchange (ETDEWEB)

Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Qianjin Road 2699, Changchun 130012, Jilin (China); Yu, Jie-Hui, E-mail: jhyu@jlu.edu.cn [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Qianjin Road 2699, Changchun 130012, Jilin (China); Zhang, Ping, E-mail: zhangping@jlu.edu.cn [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); Xu, Ji-Qing [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Qianjin Road 2699, Changchun 130012, Jilin (China)

2015-03-15

Under the hydrothermal conditions, the reactions of transition-metal salts, tetracarboxylic acids and N,N′-donor ligands yielded three new coordination polymers as [Cu{sub 4}(fph){sub 2}(bpe){sub 3}(H{sub 2}O){sub 2}]·2H{sub 2}O (fph=4,4′-(hexafluoroisopropylidene)diphthalate, bpe=1,2-bis(pyridyl)ethylene) 1, [Co{sub 2}(fph)(bpa){sub 2}(H{sub 2}O){sub 2}]·3H{sub 2}O (bpa=1,2-bis(pyridyl)ethylane) 2, and [Ni(H{sub 2}O)(H{sub 2}oph)(bpa)] (oph=4,4′-oxydiphthalate) 3. X-ray single-crystal diffraction analysis revealed that the title three compounds all possess the three-dimensional (3-D) network structures. For compound 1, the fph molecules first link the Cu{sup 2+} ions into a two-dimensional (2-D) wave-like layer with a (4,4) topology. The bpe molecules act as the second linkers, extending the 2-D layers into a 3-D network. For compound 2, the fph molecules still serve as the first connectors, linking the Co{sup 2+} ions into a one-dimensional (1-D) tube-like chain. Then the bpa molecules propagate the chains into a 3-D (4,4,4)-connected network. In the formation of the 3-D network of compound 3, the oph molecule does not play a role. The bpa molecules as well as the water molecules act as a mixed bridge. Only a kind of 4-connected metal node is observed in compound 3. The magnetic properties of compounds 1–3 were investigated and all exhibit the predominant antiferromegnetic magnetic behaviors. - Graphical abstract: Structures of three semi-rigid V-shape tetracarboxylate-based coordination polymers were reported, and their magnetic properties were investigated. - Highlights: • Structures of three tetracarboxylate-based coordination polymers were reported. • Role of organic bases in metal–tetracarboxylate compounds was discussed. • Characters of V-shape and semi-rigidity for tetracarboxylate play a key role in crystal growth. • Their magnetic properties were investigated.

Multielectron-Transfer-based Rechargeable Energy Storage of Two-Dimensional Coordination Frameworks with Non-Innocent Ligands.

Science.gov (United States)

Wada, Keisuke; Sakaushi, Ken; Sasaki, Sono; Nishihara, Hiroshi

2018-04-19

The metallically conductive bis(diimino)nickel framework (NiDI), an emerging class of metal-organic framework (MOF) analogues consisting of two-dimensional (2D) coordination networks, was found to have an energy storage principle that uses both cation and anion insertion. This principle gives high energy led by a multielectron transfer reaction: Its specific capacity is one of the highest among MOF-based cathode materials in rechargeable energy storage devices, with stable cycling performance up to 300 cycles. This mechanism was studied by a wide spectrum of electrochemical techniques combined with density-functional calculations. This work shows that a rationally designed material system of conductive 2D coordination networks can be promising electrode materials for many types of energy devices. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of non-electrophoresis grade with electrophoresis grade BIS in NIPAM polymer gel preparation

Science.gov (United States)

Khodadadi, Roghayeh; Khajeali, Azim; Farajollahi, Ali Reza; Hajalioghli, Parisa; Raeisi, Noorallah

2015-01-01

Introduction:The main objective of this study was to investigate the possibility of replacing electrophoresis cross-linker with non-electrophoresis N, N′-methylenebisacrylamide (BIS) in N-isopropyl acrylamide (NIPAM) polymer gel and its possible effect on dose response. Methods: NIPAM polymer gel was prepared from non-electrophoresis grade BIS and the relaxation rate (R2) was measured by MR imaging after exposing the gel to gamma radiation from Co-60 source. To compare the response of this gel with the one that contains electrophoresis grade BIS, two sets of NIPAM gel were prepared using electrophoresis and non-electrophoresis BIS and irradiated to different gamma doses. Results: It was found that the dose–response of NIPAM gel made from the non-electrophoresis grade BIS is coincident with that of electrophoresis grade BIS. Conclusion:Taken all, it can be concluded that the non-electrophoresis grade BIS not only is a suitable alternative for the electrophoresis grade BIS but also reduces the cost of gel due to its lower price. PMID:26457250

Metal coordination in the high-temperature leaching of roasted NdFeB magnets with the ionic liquid betainium bis(trifluoromethylsulfonyl)imide

OpenAIRE

Orefice, Martina; Binnemans, Koen; Vander Hoogerstraete, Tom

2018-01-01

Ionic liquids are largely used to leach metals from primary (ores) and secondary sources (end-of-life products). However, dry ionic liquids with a carboxylic function on the cation have not yet been used to leach metals at temperature above 100 °C and under atmospheric pressure. The ionic liquid betainium bis(trifluoromethylsulfonyl)imide, [Hbet][Tf2N], was used in the dry state to recover neodymium, dysprosium and cobalt from NdFeB magnets and NdFeB production scrap. The magnets and the scra...

Synthesis and structure of unprecedented samarium complex with bulky bis-iminopyrrolyl ligand via intramolecular C=N bond activation

Energy Technology Data Exchange (ETDEWEB)

Das, Suman; Anga, Srinivas; Harinath, Adimulam; Panda, Tarun K. [Department of Chemistry, Indian Institute of Technology, Hyderabad (India); Pada Nayek, Hari [Department of Applied Chemistry, Indian Institute of Technology, (ISM) Dhanbad, Jharkhand (India)

2017-12-29

An unprecedentate samarium complex of the molecular composition [{κ"3-{(Ph_2CH)N=CH}{sub 2}C{sub 4}H{sub 2}N}{κ"3-{(Ph_2CHN=CH)(Ph_2CHNCH)C_4H_2N}Sm}{sub 2}] (2), which was isolated by the reaction of a potassium salt of 2,5-bis{N-(diphenylmethyl)-iminomethyl}pyrrolyl ligand [K(THF){sub 2}{(Ph_2CH)N=CH}{sub 2}C{sub 4}H{sub 2}N] (1) with anhydrous samarium diiodide in THF at 60 C through the in situ reduction of imine bond is presented. The homoleptic samarium complex [[κ{sup 3}-{(Ph_2CH)-N=CH}{sub 2}C{sub 4}H{sub 2}N]{sub 3}Sm] (3) can also be obtained from the reaction of compound 1 with anhydrous samarium triiodide (SmI{sub 3}) in THF at 60 C. The molecular structures of complexes 2 and 3 were established by single-crystal X-ray diffraction analysis. The molecular structure of complex 2 reveals the formation of a C-C bond in the 2,5-bis{N-(diphenylmethyl)iminomethyl}pyrrole ligand moiety (Ph{sub 2}Py{sup -}). However, complex 3 is a homoleptic samarium complex of three bis-iminopyrrolyl ligands. In complex 2, the samarium ion adopts an octahedral arrangement, whereas in complex 3, a distorted three face-centered trigonal prismatic mode of nine coordination is observed around the metal ion. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Optical and magneto-optical properties of spin coated films of novel trinuclear bis(oxamato) and bis(oxamidato) type complexes

Energy Technology Data Exchange (ETDEWEB)

Abdulmalic, Mohammad A. [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Chemie, Straße der Nationen 62, D-09111 Chemnitz (Germany); Fronk, Michael [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Physik, Reichenhainer Straße 70, D-09107 Chemnitz (Germany); Bräuer, Björn [Stanford Institute of Materials and Energy Science, Stanford University, Stanford, CA 94025 (United States); Zahn, Dietrich R.T. [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Physik, Reichenhainer Straße 70, D-09107 Chemnitz (Germany); Salvan, Georgeta, E-mail: salvan@physik.tu-chemnitz.de [Technische Universität Chemnitz, Fakultät für Naturwissenschaften, Institut für Physik, Reichenhainer Straße 70, D-09107 Chemnitz (Germany); Eya' ane Meva, Francois [Department of Pharmaceutical Sciences, Faculty of Medicine and Pharmaceutical Sciences, University of Douala, BP 2701 (Cameroon); and others

2016-12-01

This work reports the first example of the spectroscopic measurements of the Magneto-Optical Kerr Effect (MOKE) of films being composed of trinuclear transition metal complexes on a non-transparent substrate at room temperature. The thin films of the tailor-made trinuclear bis(oxamidato) type complex 5 ([Cu{sub 3}(opbo{sup n}Pr{sub 2})(tmcd){sub 2}(NO{sub 3}){sub 2}], opbo{sup n}Pr{sub 2} = o-phenylenebis(N’-{sup n}propyloxamido, tmcd=trans-(1 R,2 R)-N,N,N′,N′-tetramethyl-cyclohexanediamine) and of the bis(oxamato) type complexes 11 ([Cu{sub 2}Ni(opbaCF{sub 3})(pmdta){sub 2}(NO{sub 3}){sub 2}], opbaCF{sub 3} = 4-trifluoromethyl-o-phenylenebis(oxamato), pmdta = N,N,N,′N″,N″-pentamethyldiethylenetriamine) and 12 ([Cu{sub 3}(opba)(bppe){sub 2}(NO{sub 3}){sub 2}] (opba = o-phenylenebis(oxamato), bppe = S-N,N-bis(2-picolyl)−1-phenylethylamine) were fabricated by spin-coating and their thicknesses in the range between 0.5 µm and 2 µm was determined by spectroscopic ellipsometry. Based on the spectroscopic ellipsometry results it was also possible to determine the optical constants of the film and compare them with the absorption of the complexes in solution in order to confirm the complex integrity after the film deposition. The fabrication of high-quality films which exhibit Kerr rotation up to 0.2 mrad (11.5 mdeg) was only possible due to tailor-made synthesis, which allows circumventing intermolecular interactions of the trinuclear complexes during the film formation. - Highlights: • Tailor-made trinuclear bis(oxamidato) and bis(oxamato) type complexes were synthesized. • Thin films (between 0.5 µm and 2 µm) were fabricated by spin-coating. • The film optical constants indicate the complex integrity after the deposition. • Film quality enabled first spectroscopic MOKE measurements of multi-nuclear complexes. • Magneto-optical Kerr rotation up to 11.5 mdeg was observed at RT (in 1.7 T).

Synthesis, X-ray crystal structures, and phosphate ester cleavage properties of bis(2-pyridylmethyl)amine copper(II) complexes with guanidinium pendant groups.

Science.gov (United States)

Belousoff, Matthew J; Tjioe, Linda; Graham, Bim; Spiccia, Leone

2008-10-06

Three new derivatives of bis(2-pyridylmethyl)amine (DPA) featuring ethylguanidinium (L (1)), propylguanidinium (L (2)), or butylguanidinium (L (3)) pendant groups have been prepared by the reaction of N, N- bis(2-pyridylmethyl)alkane-alpha,omega-diamines with 1 H-pyrazole-1-carboxamidine hydrochloride. The corresponding mononuclear copper(II) complexes were prepared by reacting the ligands with copper(II) nitrate and were isolated as [Cu(LH (+))(OH 2)](ClO 4) 3. xNaClO 4. yH 2O ( C1: L = L (1), x = 2, y = 3; C2: L = L (2), x = 2, y = 4; C3: L = L (3), x = 1, y = 0) following cation exchange purification. Recrystallization yielded crystals of composition [Cu(LH (+))(X)](ClO 4) 3.X ( C1': L = L (1), X = MeOH; C2': L = L (2), X = H 2O; C3': L = L (3), X = H 2O), which were suitable for X-ray crystallography. The crystal structures of C1', C2', and C3' indicate that the DPA moieties of the ligands coordinate to the copper(II) centers in a meridional fashion, with a water or methanol molecule occupying the fourth basal position. Weakly bound perchlorate anions located in the axial positions complete the distorted octahedral coordination spheres. The noncoordinating, monoprotonated guanidinium groups project away from the Cu(II)-DPA units and are involved in extensive charge-assisted hydrogen-bonding interactions with cocrystallized water/methanol molecules and perchlorate anions within the crystal lattices. The copper(II) complexes were tested for their ability to promote the cleavage of two model phosphodiesters, bis( p-nitrophenyl)phosphate (BNPP) and uridine-3'- p-nitrophenylphosphate (UpNP), as well as supercoiled plasmid DNA (pBR 322). While the presence of the guanidine pendants was found to be detrimental to BNPP cleavage efficiency, the functionalized complexes were found to cleave plasmid DNA and, in some cases, the model ribose phosphate diester, UpNP, at a faster rate than the parent copper(II) complex of DPA.

Structure and thermal behavior of a nickel complex based on a V-shaped bis(4-(1H-imidazol-1-yl)phenyl)amine ligand

Energy Technology Data Exchange (ETDEWEB)

Jiao, Yan, E-mail: felixjiao@163.com; Wang, Zhe; Qiu, Yu; He, Jing-Man; Chen, Min-dong [Nanjing University of Information Science & Technology, Jiangsu Key Laboratory of Atmospheric Environment Monitoring and Pollution Control, Innovative Research Laboratory of Energy & Environmental Catalysis, School of Environmental Science and Engineering (China)

2015-12-15

A new coordination polymer ([Ni(BIPA)(bpdc)(H{sub 2}O){sub 2}]){sub n} has been prepared based on a new V-shaped bis(4-(1H-imidazol-1-yl)phenyl)amine (BIPA) ligand. Complex was characterized by elemental analysis, IR spectra, X-ray powder diffraction, thermal analysis and single crystal X-ray analysis. Complex exhibits a 1D → 3D structure. Hydrogen bonds play an important role in the formation of supramolecular network structure. Thermal analysis indicates that complex exhibits a high thermal stability.

A cytotoxic study of eugenol and its ortho dimer (bis-eugenol)

Energy Technology Data Exchange (ETDEWEB)

Kashiwagi, Yasushi [Meikai Univ., Sakado, Saitama (Japan). School of Dentistry

2000-07-01

Eugenol is widely used not only as a dental material such as pulp capping material, provisional cement, root canal sealer, and impression paste, but also as a perfume ingredients. Eugenol has antioxidant, bactericidal, and sedative activities, inhibits and non-enzymatic peroxidation. It was previously reported that eugenol exhibited the cytotoxic activity toward pulp cells and gingial fibroblasts and also that the cytotoxic activity was predominantly performed by radicals derived from the oxidation of eugenol. This study was based on the hypothesis that the toxicity of eugenol may be greately reduced if the radicalization of eugenol was diminished by the dimerization of eugenol. Thus, bis-eugenol, the dimer of eugenol, was synthesized to characterize the effect of this eugenol-related compound. The cytotoxic activity of bis-eugenol against human gingival fibroblasts (HGF cell) or human submandibular gland cancer cells (HSG cell) was studied in the presence or absence of light irradiation (visible or ultraviolet light), and compared with that of eugenol. The cytotoxic activity of eugenol was significantly greater than that of bis-eugenol. The cytotoxic activity of irradiated eugenol, but not that of irradiated bis-eugenol, was significantly higher than that of the non-irradiated counterpart. Bis-eugenol at a relatively low concentration declined the phototoxic activity of irradiation on living cells. Also, the generation of reactive oxygen in HSG cells in the ab-sence or the presence of irradiated bis-eugenol or eugenol was evaluated by an ACAS laser cytometry, and the results indicated that eugenol, but not bis-eugenol, generated reactive oxygen in the cells. The DPPH-radical scavenging activity of bis-eugenol was larger than that of eugenol. Furthermore, eugenol had a positive apoptosis-inducing effect on HSG cells. The structure-activity relationships of eugenol-related compounds showed that the nature of the substituent at the ortho or para-position of eugenol

A cytotoxic study of eugenol and its ortho dimer (bis-eugenol)

International Nuclear Information System (INIS)

Kashiwagi, Yasushi

2000-01-01

Eugenol is widely used not only as a dental material such as pulp capping material, provisional cement, root canal sealer, and impression paste, but also as a perfume ingredients. Eugenol has antioxidant, bactericidal, and sedative activities, inhibits and non-enzymatic peroxidation. It was previously reported that eugenol exhibited the cytotoxic activity toward pulp cells and gingial fibroblasts and also that the cytotoxic activity was predominantly performed by radicals derived from the oxidation of eugenol. This study was based on the hypothesis that the toxicity of eugenol may be greately reduced if the radicalization of eugenol was diminished by the dimerization of eugenol. Thus, bis-eugenol, the dimer of eugenol, was synthesized to characterize the effect of this eugenol-related compound. The cytotoxic activity of bis-eugenol against human gingival fibroblasts (HGF cell) or human submandibular gland cancer cells (HSG cell) was studied in the presence or absence of light irradiation (visible or ultraviolet light), and compared with that of eugenol. The cytotoxic activity of eugenol was significantly greater than that of bis-eugenol. The cytotoxic activity of irradiated eugenol, but not that of irradiated bis-eugenol, was significantly higher than that of the non-irradiated counterpart. Bis-eugenol at a relatively low concentration declined the phototoxic activity of irradiation on living cells. Also, the generation of reactive oxygen in HSG cells in the ab-sence or the presence of irradiated bis-eugenol or eugenol was evaluated by an ACAS laser cytometry, and the results indicated that eugenol, but not bis-eugenol, generated reactive oxygen in the cells. The DPPH-radical scavenging activity of bis-eugenol was larger than that of eugenol. Furthermore, eugenol had a positive apoptosis-inducing effect on HSG cells. The structure-activity relationships of eugenol-related compounds showed that the nature of the substituent at the ortho or para-position of eugenol

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

NARCIS (Netherlands)

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

2012-01-01

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

Characterization and Antimicrobial Studies of Five Substituted Bis-Thioureas

International Nuclear Information System (INIS)

Nurulain Kamalulazmy; Sahilah Abd Mutalib; Fatin Ilyani Nasir; Nurul Izzaty Hassan

2016-01-01

Thioureas play an important role in medicinal chemistry and agricultures due to their biological activity such as antibacterial, antifungal, antiviral, herbicides, rodenticides, phenoloxidase enzymatic inhibitors, anti-HIV and anti-tumor agents. In this study, five substituted bis-thioureas have been synthesized. The isophthaloyl chloride and 2,6- pyridine dicarbonyl dichloride were easily converted to bis-isothiocyanate compound via the reaction with ammonium thiocyanate by solid-liquid phase transfer catalysis of polyethylene glycol-400 (PEG-400). Bis-isothiocyanate compound was reacted with aniline derivatives to produce substituted bis-thioureas in good yield at room temperature. All the novel compounds were obtained as yellow solid after recrystallization using DMF/EtOH/H_2O. Their chemical structures were confirmed by Infrared spectroscopy (IR), Nuclear Magnetic Resonance (NMR) "1H and "1"3C and mass spectrometry. The five synthesized compounds were screened for antimicrobial activities using disc diffusion method for antimicrobial activity against Gram-positive bacteria (Bacillus Subtilis and Staphylococcus Aureus), Gram-negative bacteria (Escherichia Coli and Salmonella Typhi) and a mold (Aspergillus Niger). All tested compounds showed low antimicrobial activity since the diameter of inhibition zone (IZ) measure was less than positive control inhibition zone. (author)

Disorder-derived, strong tunneling attenuation in bis-phosphonate monolayers

International Nuclear Information System (INIS)

Pathak, Anshuma; Bora, Achyut; Tornow, Marc; Liao, Kung-Ching; Schwartz, Jeffrey; Schmolke, Hannah; Jung, Antje; Klages, Claus-Peter

2016-01-01

Monolayers of alkyl bisphosphonic acids (bisPAs) of various carbon chain lengths (C4, C8, C10, C12) were grown on aluminum oxide (AlO x ) surfaces from solution. The structural and electrical properties of these self-assembled monolayers (SAMs) were compared with those of alkyl monophosphonic acids (monoPAs). Through contact angle (CA) and Kelvin-probe (KP) measurements, ellipsometry, and infrared (IR) and x-ray photoelectron (XPS) spectroscopies, it was found that bisPAs form monolayers that are relatively disordered compared to their monoPA analogs. Current–voltage (J–V) measurements made with a hanging Hg drop top contact show tunneling to be the prevailing transport mechanism. However, while the monoPAs have an observed decay constant within the typical range for dense monolayers, β mono   =  0.85  ±  0.03 per carbon atom, a surprisingly high value, β bis   =  1.40  ±  0.05 per carbon atom, was measured for the bisPAs. We attribute this to a strong contribution of ‘through-space’ tunneling, which derives from conformational disorder in the monolayer due to strong interactions of the distal phosphonic acid groups; they likely form a hydrogen-bonding network that largely determines the molecular layer structure. Since bisPA SAMs attenuate tunnel currents more effectively than do the corresponding monoPA SAMs, they may find future application as gate dielectric modification in organic thin film devices. (paper)

Chiral Diamine Bis(phenolate) Ti-IV and Zr-IV Complexes - Synthesis, Structures and Reactivity

NARCIS (Netherlands)

Barroso, Sonia; Adao, Pedro; Duarte, M. Teresa; Meetsma, Auke; Pessoa, Joao Costa; Bouwkamp, Marco W.; Martins, Ana M.

Neutral and cationic titanium and zirconium diamine bis(phenolate) complexes supported by chiral ligands L-1 and L-2 are described [L-1 = (R)-6,6'-{1-(dimethylamino)propan-2-ylazanediyl}bis(methylene)-bis(2,4-di-tert-butylphenolate); L-2 =

Polyamine deprivation-induced enhanced uptake of methylglyoxal bis(guanylhydrazone) by tumor cells.

Science.gov (United States)

Seppänen, P; Alhonen-Hongisto, L; Jänne, J

1981-05-05

1. Putrescine and spermidine depletion produced by alpha-difluoromethylornithine, an irreversible inhibitor or ornithine decarboxylase (EC 4.1.1.17), resulted in a strikingly enhanced cellular uptake of methylglyoxal bis(guanylhydrazone) in cultured Ehrlich ascites carcinoma cells and human lymphocytic leukemia cells. 2. A prior priming of the cells with difluoromethylornithine followed by a short exposure of the cells to methylglyoxal bis(guanylhydrazone) rapidly established intracellular concentrations of the latter drug approaching 10 mM. 3. The enhanced transport of methylglyoxal bis(guanylhydrazone) into the tumor cells apparently required metabolic energy as the uptake of extracellular drug rapidly ceased and intracellular methylglyoxal bis(guanylhydrazone) was excreted into the medium when the glycolysis of the tumor cells was inhibited by iodoacetate. 4. A sequential treatment of cultured tumor cells with difluoromethylornithine until established polyamine depletion followed by an addition of low concentrations of methylglyoxal bis(guanylhydrazone) produced an antiproliferative action not achieved with either of the drugs alone. 5. A similar treatment schedule, i.e a priming of mice inoculated with Ehrlich ascites cells with difluoromethylornithine for a few days, likewise enhanced the uptake of methylglyoxal bis(guanylhydrazone) by the carcinoma cells, but only marginally increased the drug concentration in the liver and small intestine of the animals.

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

Science.gov (United States)

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

2018-05-01

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

Synthesis and structure of (bis(3,5-dimethyl-1H-pyrazol-1-yl)methane)diiodocobalt(II)

International Nuclear Information System (INIS)

Bushuev, M.B.; Virovets, A.V.; Peresypkina, E.V.; Naumov, D.Yu.; Lavrenova, L.G.; Potapov, A.S.; Khlebnikov, A.I.; Vasilevskij, S.F.

2005-01-01

Cobalt(II) iodo complex with bis(3,5-dimethyl-1H-pyrazol-1-yl)methane (L), CoLI 2 , is synthesized and its monocrystals are grown. The complex is characterized by electronic spectra and X-ray diffraction. CoLI 2 belongs to the monoclinic crystal system, sp. gr. P2 1 /m, a=8.4044(4), b=13.3120(5), c=14.5824(7) A; β=94.7290(10) deg; Z=4; d clcd =2.112 g/cm 3 . In its structure the complex is molecular and mononuclear one. Ligand L is coordinated in a bidentate-cyclic manner; the cobalt polyhedron is a CoN 2 I 2 tetrahedron formed by nitrogen atoms of the L pyrazole fragments and iodine atoms [ru

Discovery of novel alkylated (bis)urea and (bis)thiourea polyamine analogues with potent antimalarial activities.

Science.gov (United States)

Verlinden, Bianca K; Niemand, Jandeli; Snyman, Janette; Sharma, Shiv K; Beattie, Ross J; Woster, Patrick M; Birkholtz, Lyn-Marie

2011-10-13

A series of alkylated (bis)urea and (bis)thiourea polyamine analogues were synthesized and screened for antimalarial activity against chloroquine-sensitive and -resistant strains of Plasmodium falciparum in vitro. All analogues showed growth inhibitory activity against P. falciparum at less than 3 μM, with the majority having effective IC(50) values in the 100-650 nM range. Analogues arrested parasitic growth within 24 h of exposure due to a block in nuclear division and therefore asexual development. Moreover, this effect appears to be cytotoxic and highly selective to malaria parasites (>7000-fold lower IC(50) against P. falciparum) and is not reversible by the exogenous addition of polyamines. With this first report of potent antimalarial activity of polyamine analogues containing 3-7-3 or 3-6-3 carbon backbones and substituted terminal urea- or thiourea moieties, we propose that these compounds represent a structurally novel class of antimalarial agents.

[(Nitrato-κO,O')(nitrito-κO,O')(0.25/1.75)]bis-(1,10-phenanthroline-κN,N')cadmium(II).

Science.gov (United States)

Najafi, Ezzatollah; Amini, Mostafa M; Ng, Seik Weng

2011-01-22

The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate-nitrite title complex, [Cd(NO(2))(1.75)(NO(3))(0.25)(C(12)H(8)N(2))(2)]. The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodeca-hedral CdN(4)O(4) coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25) concerning the O atom that is not involved in bonding to the metal ion.

Interaction and Binding Modes of bis-Ruthenium(II Complex to Synthetic DNAs

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Hasi Rani Barai

2016-06-01

Full Text Available [μ-(linkerL2(dipyrido[3,2-a:2′,3′-c]phenazine2(phenanthroline2Ru(II2]2+ with linker: 1,3-bis-(4-pyridyl-propane, L: PF6 (bis-Ru-bpp was synthesized and their binding properties to a various polynucleotides were investigated by spectroscopy, including normal absorption, circular dichroism(CD, linear dichroism(LD, and luminescence techniques in this study. On binding to polynucleotides, the bis-Ru-bpp complex with poly[d(A-T2], and poly[d(I-C2] exhibited a negative LDr signal whose intensity was as large as that in the DNA absorption region, followed by a complicated LDr signal in the metal-to-ligand charge transfer region. Also, the emission intensity and equilibrium constant of the bis-Ru-bpp complex with poly[d(A-T2], and poly[d(I-C2] were enhanced. It was reported that both of dppz ligand of the bis-Ru-bpp complex intercalated between DNA base-pairs when bound to native, mixed sequence DNA. Observed spectral properties resemble to those observed for poly[d(A-T2] and poly[d(I-C2], led us to be concluded that both dppz ligands intercalate between alternated AT and IC bases-pairs In contrast when bis-Ru-bpp complex was bound to poly[d(G-C2], the magnitude of the LDr in the dppz absorption region, as well as the emission intensity, was half in comparison to that of bound to poly[d(A-T2], and poly[d(I-C2]. Therefore the spectral properties of the bis-Ru-bpp-poly[d(G-C2] complex suggested deviation from bis-intercalation model in the poly[d(G-C2] case. These results can be explained by a model whereby one of the dppz ligands is intercalated while the other is exposed to solvent or may exist near to phosphate. Also it is indicative that the amine group of guanine in the minor groove provides the steric hindrance for incoming intercalation binder and it also takes an important role in a difference in binding of bis-Ru-bpp bound to poly[d(A-T2] and poly[d(I-C2].

Bis{2-[(diisopropylphosphanylamino]pyridine-κ2N1,P}copper(I hexafluoridophosphate

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Özgür Öztopcu

2010-07-01

Full Text Available The crystal structure of the title compound, [Cu(C11H19N2P2]PF6, is composed of discrete [Cu(PN-iPr2]+ cations [PN-iPr is 2-(diisopropylphosphanylaminopyridine] and PF6− anions. The Cu(I atom is bis-chelated by two independent PN-iPr ligands. It has a distorted tetrahedral coordination by two P atoms [Cu—P = 2.2277 (4 and 2.2257 (4 Å] and two pyridine N atoms [Cu—N = 2.0763 (11 and 2.0845 (12 Å]. Bond angles about Cu vary from 85.11 (3 (P—Cu—N to 130.37 (2° (P—Cu—P. In the crystal, N—H...F hydrogen bonds link the Cu complexes and the PF6− anions into continuous chains, which show a cross-bedded spatial arrangement. In addition, several weaker C—H...F interactions contribute to the coherence of the structure.

Antiferromagnetic exchange in meta-phenylene bridged bis(tris-o-iminosemiquinonato)metal complexes

International Nuclear Information System (INIS)

Dei, A.; Gatteschi, D.; Sangregorio, C.; Sorace, L.; Vaz, M.G.F.

2004-01-01

By reaction of the ligand N,N' bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,3-phenylenediamine (1), with Fe, Co or Mn salts, three complexes were synthesized where the bis-bidentate ligand is in the bis-semiquinonato oxidation state. Although the m-phenylene linker is known to afford ferromagnetic coupling in diradicals, the antiferromagnetic interaction of intramolecular origin we observed is not unexpected, given the large torsion angles between the semiquinonato and the m-phenylene planes

Antiferromagnetic exchange in meta-phenylene bridged bis(tris-o-iminosemiquinonato)metal complexes

Energy Technology Data Exchange (ETDEWEB)

Dei, A. E-mail: andrea.dei@unifi.it; Gatteschi, D.; Sangregorio, C.; Sorace, L.; Vaz, M.G.F

2004-05-01

By reaction of the ligand N,N' bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,3-phenylenediamine (1), with Fe, Co or Mn salts, three complexes were synthesized where the bis-bidentate ligand is in the bis-semiquinonato oxidation state. Although the m-phenylene linker is known to afford ferromagnetic coupling in diradicals, the antiferromagnetic interaction of intramolecular origin we observed is not unexpected, given the large torsion angles between the semiquinonato and the m-phenylene planes.

A new family of NxOy pyridine-containing macrocycles: synthesis and characterization of their Y(III), Ln(III), Zn(II), and Cd(II) coordination compounds

International Nuclear Information System (INIS)

Lodeiro, C.; Bastida, R.; Bertolo, E.; Rodriguez, A.

2004-01-01

Reaction between 2,6-bis(2-formylphenoxymethyl)pyridine and N,N-bis(3-aminopropyl)methylamine or tris(2-aminoethyl)amine has been used as the starting point for the synthesis of seven oxa-aza macrocyclic ligands, five of them never reported previously. They all feature different pendant arms, which provide a wide range of coordination possibilities. The Schiff base macrocycles L 1 and L 4 and their reduced ligands L 2 and L 5 are derived from 2,6-bis(2-formylphenoxymethyl)pyridine and tris(2-aminoethyl)amine or N,N-bis(3-aminopropyl)methylamine, respectively. The reaction of L 1 with salicylaldehyde forms L 3 , which features an imine bond in the pendant arm. The ligand L 5 has been the precursor for the pendant-armed L 6 and L 7 , by alkylation of the free NH groups with methyl-imidazole or methyl-indole. By a template or a nontemplate approach, we have synthesized different mono- and dinuclear complexes with Y(III), Ln(III), Zn(II), and Cd(II) cations. Both the free macrocyclic ligands and their corresponding metal complexes have been characterized by microanalysis, IR, UV-vis, 1 H and 13 C NMR spectroscopy, FAB mass spectrometry, MS electrospray, and conductivity measurements. (author)

Blessures Skaten (BIS): Blessurevrij skaten?

NARCIS (Netherlands)

Hespen, A. van; Stubbe, J.; Stege, J.

2009-01-01

Sportblessures: niemand zit erop te wachten, maar jaarlijks krijgen ongeveer 1,5 miljoen mensen in Nederland ermee te maken. Om effectief aan preventie te doen, is inzicht in het aantal en soort sportblessures onmisbaar. Dit kan met het web-based Blessure Informatie Systeem (BIS) van TNO Kwaliteit

Blessures badmington (BIS): blessurevrij badmintonnen?

NARCIS (Netherlands)

Hespen, A. van; Stubbe, J.; Stege, J.; Ooijendijk, W.

2008-01-01

Sportblessures: niemand zit erop te wachten, maar jaarlijks krijgen ongeveer 1,5 miljoen mensen in Nederland ermee te maken. Om effectief aan preventie te doen, is inzicht in het aantal en soort sportblessures onmisbaar. Dit kan met het web-based Blessure Informatie Systeem (BIS) van TNO Kwaliteit

LA REINCIDENCIA VULNERA EL “NON BIS IN IDEM”

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Roger Cabrera Paredes

2011-06-01

Full Text Available El presente artículo explica como la “Reincidencia vulnera el  Non bis in ídem”; empezamos con la “Introducción” que comprende los antecedentes, la formulación del problema y la justificación de esta investigación. Continuamos con las “Bases Teóricas”, la misma que comprende el sentido de los principios penales, el principio “Non bis in Idem”, la Reincidencia y la Problemática de la Reincidencia como vulneración del Principio Non bis in ídem. En la “Metodología”, encontramos la tipología y metodología de la investigación. En los “Resultados”,  están los análisis y la decisión final de las entrevistas y encuestas a Docentes y abogados especializados en el tema y al personal de Juzgados, Fiscalías y abogados, respectivamente, del Distrito Judicial de Iquitos de la Provincia de Maynas, región Loreto. En la “Discusión”, explicamos que la Reincidencia debe desaparecer porque va en contra del principio Non bis in ídem, colocando en las “Conclusiones” nuestra posición.

LA REINCIDENCIA VULNERA EL “NON BIS IN IDEM”

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Roger Cabrera-Paredes

2011-07-01

Full Text Available El presente artículo explica como la “Reincidencia vulnera el  Non bis in ídem”; empezamos con la “Introducción” que comprende los antecedentes, la formulación del problema y la justificación de esta investigación. Continuamos con las “Bases Teóricas”, la misma que comprende el sentido de los principios penales, el principio “Non bis in Idem”, la Reincidencia y la Problemática de la Reincidencia como vulneración del Principio Non bis in ídem. En la “Metodología”, encontramos la tipología y metodología de la investigación. En los “Resultados”,  están los análisis y la decisión final de las entrevistas y encuestas a Docentes y abogados especializados en el tema y al personal de Juzgados, Fiscalías y abogados, respectivamente, del Distrito Judicial de Iquitos de la Provincia de Maynas, región Loreto. En la “Discusión”, explicamos que la Reincidencia debe desaparecer porque va en contra del principio Non bis in ídem, colocando en las “Conclusiones” nuestra posición.

Crystal structure of [2-({4-[2,6-bis(pyridin-2-ylpyridin-4-yl]phenyl}(methylaminoethanol-κ3N,N′,N′′]bis(thiocyanato-κNzinc N,N-dimethylformamide monosolvate

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Shi-Chao Wang

2014-10-01

Full Text Available In the title compound, [Zn(NCS2(C24H22N4O]·C3H7NO, the ZnII cation is N,N′,N′′-chelated by one 2-({4-[2,6-bis(pyridin-2-ylpyridin-4-yl]phenyl}(methylaminoethanol ligand and coordinated by two thiocyanate anions in a distorted N5 trigonal–bipyramidal geometry. In the molecule, the three pyridine rings are approximately coplanar [maximum deviation = 0.026 (5 Å], and the mean plane of the three pyridine rings is twisted to the benzene ring with a small dihedral angle of 5.9 (2°. In the crystal, complex molecules are linked by weak C—H...O hydrogen bonds into supramolecular chains propagated along [110]; π–π stacking is observed between adjacent chains [centroid–centroid distance = 3.678 (4 Å]. The dimethylformamide solvent molecules are linked with the complex chains via weak C—H...O hydrogen bonds.

Synthesis, crystal structure, fluorescent and antioxidation properties of cerium(III) and europium(III) complexes with bis(3-methoxysalicylidene)-3-oxapentane-1,5-diamine

Energy Technology Data Exchange (ETDEWEB)

Tang, Xia; Shi, Xinkui; Xu, Yuling; Shen, Kesheng; Mao, Shanshan; Wu, Huilu [School of Chemical and Biological Engineering, Lanzhou Jiaotong University, Gansu (China)

2017-03-02

Two aliphatic ether Schiff base lanthanide complexes (Ln = Eu, Ce) with bis(3-methoxysalicylidene)-3-oxapentane-1,5-diamine (Bod), were synthesized and characterized by physicochemical and spectroscopic methods. [Eu(Bod)(NO{sub 3}){sub 3}] (1) is a discrete mononuclear species and [Ce(Bod)(NO{sub 3}){sub 3}DMF]{sub ∞} (2) exhibits an inorganic coordination polymer. In the two complexes, the metal ions both are ten-coordinated and the geometric structure around the Ln{sup III} atom can be described as distorted hexadecahedron. Under excitation at room temperature, the red shift in the fluorescence band of the ligand in the complexes compared with that of the free ligand can be attributed to coordination of the rare earth ions to the ligand. Moreover, the antioxidant activities of the two complexes were investigated. The results demonstrated that the complexes have better scavenging activity than both the ligand and the usual antioxidants on the hydroxyl and superoxide radicals. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Science.gov (United States)

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

2017-01-01

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

Combinatorial synthesis of oxazol-thiazole bis-heterocyclic compounds.

Science.gov (United States)

Murru, Siva; Nefzi, Adel

2014-01-13

A combinatorial library of novel oxazol-thiazole bis-heterocycles was synthesized in good to excellent overall yields with high purity using a solution and solid-phase parallel synthesis approach. Oxazole amino acids, prepared from serine methyl ester and amino acids via coupling and cyclodehydration, were treated with Fmoc-NCS and α-haloketones for the parallel synthesis of diverse bis-heterocycles. Fmoc-isothiocyanate is used as a traceless reagent for thiazole formation. Oxazole diversity can be achieved by using variety of amino acids, whereas thiazole diversity is produced with various haloketones.

Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands

Energy Technology Data Exchange (ETDEWEB)

Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022, Henan (China); Wang, Li-Ya, E-mail: gzliuly@126.com [College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022, Henan (China); College of Chemistry and Pharmacy Engineering, Nanyang Normal University, Nanyang 473061, Henan (China)

2014-12-15

Four new coordination polymers ([Ni(4-Nbdc)(bpa)(H{sub 2}O)]){sub n} (1), ([Co(4-Nbdc)(bpp) (H{sub 2}O)]){sub n} (2), ([Ni(4-Nbdc)(bpp)(H{sub 2}O)]·H{sub 2}O){sub n} (3), and ([Mn{sub 2}(3-Nbdc){sub 2}(bib){sub 3}]·2H{sub 2}O){sub n} (4) (4-Nbdc=4-nitrobenzene-1,2-dicarboxylate, 3-Nbdc=3-nitrobenzene-1,2-dicarboxylate, bpa=1,2-bi(4-pyridyl)ethane, bpp=1,3-bis(4-pyridyl)propane, and bib=1,4-bis(1-imidazoly)benzene), were synthesized by hydrothermal reactions, and characterized by single-crystal X-ray diffractions, elemental analysis, FT-IR, PXRD, TGA and magnetic analysis. Complexes 1 and 2 display quasi-trapezoidal chain and brick-wall layer, and both of them contain metal–carboxylate binuclear units. Complexes 3 and 4 exhibit three-dimensional frameworks with the (6{sup 6}) dia topology and (4{sup 4}.6{sup 10}.8)(4{sup 4}.6{sup 2}) fsc topology, and both of them contain metal–carboxylate chains. The carboxyl groups with syn-anti coordination mode mediate effectively the weak ferromagnetic coupling interaction within Ni(II)–carboxylate binuclear in 1 (J=1.27 cm{sup −1}) and Ni(II)–carboxylate chain in 3 (J=1.44 cm{sup −1}), respectively, and the carboxyl groups with anti-anti coordination mode leads to the classic antiferromagnetic coupling interaction within Mn(II)–carboxylate chain in 4 (J=−0.77 cm{sup −1}). - Highlights: • Four novel coordination polymers were hydrothermally synthesized. • 1 is 1D quasi-trapezoidal chain and 2 is brick-wall layer both with dinuclear units. • 3 and 4 show 3D frameworks both with 1D metal–carboxylate chains. • 1 and 3 exhibit ferromagnetic coupling, while 4 shows antiferromagnetic coupling.

Hybrid inorganic-organic adsorbents Part 1: Synthesis and characterization of mesoporous zirconium titanate frameworks containing coordinating organic functionalities.

Science.gov (United States)

Griffith, Christopher S; De Los Reyes, Massey; Scales, Nicholas; Hanna, John V; Luca, Vittorio

2010-12-01

A series of functional hybrid inorganic-organic adsorbent materials have been prepared through postsynthetic grafting of mesoporous zirconium titanate xerogel powders using a range of synthesized and commercial mono-, bis-, and tris-phosphonic acids, many of which have never before been investigated for the preparation of hybrid phases. The hybrid materials have been characterized using thermogravimetric analysis, diffuse reflectance infrared (DRIFT) and 31P MAS NMR spectroscopic techniques and their adsorption properties studied using a 153Gd radiotracer. The highest level of surface functionalization (molecules/nm2) was observed for methylphosphonic acid (∼3 molecules/nm2). The level of functionalization decreased with an increase in the number of potential surface coordinating groups of the phosphonic acids. Spectral decomposition of the DRIFT and 31P MAS NMR spectra showed that each of the phosphonic acid molecules coordinated strongly to the metal oxide surface but that for the 1,1-bis-phosphonic acids and tris-phosphonic acids the coordination was highly variable resulting in a proportion of free or loosely coordinated phosphonic acid groups. Functionalization of a porous mixed metal oxide framework with the tris-methylenephosphonic acid (ATMP-ZrTi-0.33) resulted in a hybrid with the highest affinity for 153Gd3+ in nitric acid solutions across a wide range of acid concentrations. The ATMP-ZrTi-0.33 hybrid material extracted 153Gd3+ with a Kd value of 1×10(4) in 0.01 M HNO3 far exceeding that of the other hybrid phases. The unfunctionalized mesoporous mixed metal oxide had negligible affinity for Gd3+ (KdATMP-ZrTi-0.33 hybrid phase for Gd3+ has been determined to be about 0.005 mmol/g in 0.01 M HNO3. This behavior and that of the other hybrid phases suggests that the surface-bound ATMP ligand functions as a chelating ligand toward 153Gd3+ under these acidic conditions.

Di-tert-butyl N-[2,6-bis(methoxymethoxyphenyl]iminodiacetate

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Ben Capuano

2009-04-01

Full Text Available The title molecule, C20H31NO8, has pseudo-C2 symmetry about the C—N bond, with the bis(tert-butoxycarbonylamino group twisted from the benzene ring plane by ca 60° and the bulky tert-butoxycarbonyl (Boc groups are orientated away from the substituted aniline group. As part of an antibacterial drug discovery programme furnishing analogues of platensimycin, we unexpectedly synthesized the bis-Boc-protected aniline.

Synthesis and Photophysical and Electrochemical Properties of Functionalized Mono-, Bis-, and Trisanthracenyl Bridged Ru(II Bis(2,2′:6′,2″-terpyridine Charge Transfer Complexes

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Adewale O. Adeloye

2014-01-01

Full Text Available With the aim of developing new molecular devices having long-range electron transfer in artificial systems and as photosensitizers, a series of homoleptic ruthenium(II bisterpyridine complexes bearing one to three anthracenyl units sandwiched between terpyridine and 2-methyl-2-butenoic acid group are synthesized and characterized. The complexes formulated as bis-4′-(9-monoanthracenyl-10-(2-methyl-2-butenoic acid terpyridyl ruthenium(II bis(hexafluorophosphate (RBT1, bis-4′-(9-dianthracenyl-10-(2-methyl-2-butenoic acid terpyridyl ruthenium(II bis(hexafluorophosphate (RBT2, and bis-4′-(9-trianthracenyl-10-(2-methyl-2-butenoic acid terpyridyl ruthenium(II bis(hexafluorophosphate (RBT3 were characterized by elemental analysis, FT-IR, UV-Vis, photoluminescence, 1H and 13C NMR spectroscopy, and electrochemical techniques by elemental analysis, FT-IR, UV-Vis, photoluminescence, 1H and 13C NMR spectroscopy, and electrochemical techniques. The cyclic voltammograms (CVs of (RBT1, (RBT2, and (RBT3 display reversible one-electron oxidation processes at E1/2 = 1.13 V, 0.71 V, and 0.99 V, respectively (versus Ag/AgCl. Based on a general linear correlation between increase in the length of π-conjugation bond and the molar extinction coefficients, the Ru(II bisterpyridyl complexes show characteristic broad and intense metal-to-ligand charge transfer (MLCT band absorption transitions between 480–600 nm, ε=9.45×103 M−1 cm−1, and appreciable photoluminescence spanning the visible region.

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

Science.gov (United States)

Dalgaard; McKenzie

1999-10-01

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

Four thiophene-pyridyl-amide-based Zn{sup II}/Cd{sup II} coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe{sup 3+}

Energy Technology Data Exchange (ETDEWEB)

Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang

2017-05-15

By tuning metal ions and combining with different dicarboxylates, four new semi-rigid thiophene-bis-pyridyl-bis-amide-based coordination polymers, namely, [Zn(3-bptpa)(1,3-BDC)]·DMA·2H{sub 2}O (1), [Zn(3-bptpa)(5-MIP)] (2), [Cd(3-bptpa)(1,3-BDC)]·2H{sub 2}O (3) and [Cd(3-bptpa)(5-MIP)]·4H{sub 2}O (4) (3-bptpa=N,N′-bis(pyridine-3-yl)thiophene-2,5-dicarboxamide, 1,3-H{sub 2}BDC=1,3-benzenedicarboxylic acid, 5-H{sub 2}MIP=5-methylisophthalic acid, DMA=N,N-dimethylacetamide), were solvothermally/hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction analyses, IR spectra, UV–vis diffuse-reflectance spectra (DRS), powder X-ray diffraction (PXRD) and thermal gravimetric analyses (TG). The structural analysis reveals that Zn-complexes 1 and 2 are similar 2D networks. While Cd-complexes 3 and 4 exhibit similar 2-fold interpenetrating 3D α-Po frameworks with the (4{sup 12}·6{sup 3}) topology. The photocatalytic properties for the degradation of methylene blue (MB) under ultraviolet light irradiation of the title complexes have been investigated in detail. Furthermore, the luminescent sensing behaviors for metal cations of 1–4 have been studied, the results indicate that 3 is an excellent fluorescent probe, with high sensitivity, selectivity, and simple regeneration, for environmentally relevant Fe{sup 3+} ions. - Graphical abstract: Four Zn{sup II}/Cd{sup II} coordination polymers with a thiophene-pyridyl-amide ligand have been prepared. The photocatalytic activities and fluorescent sensing properties for metal ions of the title complexes have been investigated. - Highlights: • Four coordination polymers with thiophene-pyridyl-amide ligands have been obtained. • The central metal ions play an important role in the formation of the frameworks. • The photoluminescent sensing and the photocatalytic properties have been investigated.

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

International Nuclear Information System (INIS)

Wieghardt, K.

1978-01-01

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

Bis-pyrene-modified unlocked nucleic acids: synthesis, hybridization studies, and fluorescent properties

DEFF Research Database (Denmark)

Perlíková, Pavla; Ejlersen, Maria; Langkjaer, Niels

2014-01-01

Efficient synthesis of a building block for the incorporation of a bis-pyrene-modified unlocked nucleic acid (UNA) into oligonucleotides (DNA*) was developed. The presence of bis-pyrene-modified UNA within a duplex leads to duplex destabilization that is more profound in DNA*/RNA and less distinc......)uracil:pyrene exciplex emission in the single-stranded form. Such fluorescent properties enable the application of bis-pyrene-modified UNA in the development of fluorescence probes for DNA/RNA detection and for detection of deletions at specific positions....

Ne bis in idem põhimõte Euroopa Liidu õiguses / Uno Lõhmus

Index Scriptorium Estoniae

Lõhmus, Uno, 1952-

2009-01-01

Ne bis in idem põhimõtte ehk teistkordse kohtumõistmise ja karistamise keelu territoriaalsest kohaldamisest. Schengeni rakenduskonventsiooni artiklis 54 sisalduva ne bis in idem põhimõtte tõlgendustest. Mõistetest "sama tegu" ja "lõplik kohtuotsus"

2D→3D polycatenated and 3D→3D interpenetrated metal–organic frameworks constructed from thiophene-2,5-dicarboxylate and rigid bis(imidazole) ligands

Energy Technology Data Exchange (ETDEWEB)

Erer, Hakan [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Yeşilel, Okan Zafer, E-mail: yesilel@ogu.edu.tr [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Arıcı, Mürsel [Department of Chemistry, Faculty of Arts and Sciences, Eskişehir Osmangazi University, 26480 Eskişehir (Turkey); Keskin, Seda [Department of Chemical and Biological Engineering, Koç University, İstanbul (Turkey); Büyükgüngör, Orhan [Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139 Samsun (Turkey)

2014-02-15

Hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metal–organic frameworks, namely, [Zn(µ-tdc)(H{sub 2}O)(µ-dib)]{sub n} (1), [Cd(µ-tdc)(H{sub 2}O)(µ-dib)]{sub n} (2), and ([Cd{sub 2}(µ{sub 3}-tdc){sub 2}(µ-dimb){sub 2}]·(H{sub 2}O)){sub n}(3). These MOFs were characterized by FT-IR spectroscopy, elemental, thermal (TG, DTA, DTG and DSC), and single-crystal X-ray diffraction analyses. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D→3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. Moreover, these coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. - Graphical abstract: In this study, hydrothermal reactions of rigid 1,4-bis(imidazol-1-yl)benzene (dib) and 1,4-bis(imidazol-1-yl)-2,5-dimethylbenzene (dimb) with deprotonated thiophene-2,5-dicarboxylic acid (H{sub 2}tdc) in the presence of Zn(II) and Cd(II) salts in H{sub 2}O produced three new metal–organic frameworks. Isomorphous complexes 1 and 2 reveal polycatenated 2D+2D→3D framework based on an undulated (4,4)-sql layer. Complex 3 exhibits a new 4-fold interpenetrating 3D framework with the point symbol of 6{sup 6}. Molecular simulations were used to assess the potentials of the complexes for H{sub 2} storage application. These coordination polymers exhibit blue fluorescent emission bands in the solid state at room temperature. Display Omitted - Highlights: • Complexes 1 and 2 display polycatenated 2D+2D→3D framework. • Complex 3 exhibits a new 4-fold interpenetrating 3D framework. • Complex 1 adsorbs the highest amount of

Normative data of the Barratt Impulsiveness Scale 11 (BIS-11 for Brazilian adults

Directory of Open Access Journals (Sweden)

Leandro F. Malloy-Diniz

2015-09-01

Full Text Available Objective:The Barratt Impulsiveness Scale (BIS-11 is a valid and reliable instrument, and one of the most often used tools to assess impulsivity. This study assesses the performance of a large sample of adults by using a version of BIS-11 adapted to Brazilian Portuguese.Methods:We assessed 3,053 adults from eight Brazilian states. Internal consistencies and performance data were presented for two correction criteria of BIS-11: original and the two-factor score.Results:The associations between age, sex, region, and education and the BIS-11 scores present very small effect sizes. Therefore, we provided a percentile rank parameter for the different BIS-11 subscores considering the whole sample. Given the internal consistency of the two correction systems, we found that only the two-factor system fulfills the psychometric criteria of Cronbach’s alpha (cutoff value of at least 0.6.Conclusion:Our results support the use of the Brazilian adaptation of BIS-11 in different regions of the country as a measure of impulsivity. Since high impulsiveness is a characteristic of several dysfunctional behaviors, the establishment of normative parameters is of utmost relevance and should be extended to other age ranges and populations in future studies.

Suppression of phytohemagglutinin-induction of thymidine uptake in guinea pig lymphocytes by methylglyoxal bis(guanylhydrazone) treatment.

Science.gov (United States)

Otani, S; Matsui, I; Morisawa, S

1977-10-18

Treatment with methylglyoxal bis(guanylhydrazone), a specific inhibitor of S-adenosylmethionine decarboxylase (EC 4.1.1.50), suppressed the phytohemagglutinin-induction of [3H]thymidine uptake by guinea pig lymphocytes. The kinetics of [3H]thymidine uptake revealed that the Km value for thymidine was not changed, but the V value was markedly lowered by the methylglyoxal bis(guanylhydrazone) treatment. The induction of ATP: thymidine 5'-phosphotransferase (EC 2.7.1.75) (thymidine kinase) activity by phytohemagglutinin was suppressed to about the same extent as the induction of thymidine uptake. These suppressions were dependent on the methylglyoxal bis(guanylhydrazone) doses and on duration of the methylglyoxal bis(guanylhydrazone) treatment. Analysis of [3H]thymidine labelled compounds of the acid-soluble fraction showed that conversion of thymidine to thymidine 5'-triphosphate was inhibited by the methylglyoxal bis(guanylhydrazone) treatment. DNA polymerase activity was less inhibited by the methylglyoxal bis(guanylhydrazone) treatment in comparison with the methylglyoxal bis(guanylhydrazone) inhibition of thymidine uptake by whole cells. These results strongly suggested that blocking of polyamine accumulation by the methylglyoxal bis(guanylhydrazone) treatment influenced phytohemagglutinin induction of thymidine phosphorylation, resulting in a decrease of thymidine incorporation into DNA.

Behavioral inhibition system (BIS), Behavioral activation system (BAS) and schizophrenia : Relationship with psychopathology and physiology

NARCIS (Netherlands)

Scholten, Marion R. M.; van Honk, Jack; Aleman, Andre; Kahn, Rene S.

2006-01-01

Objective: The Behavioral Inhibition System (BIS) and the Behavioral Activation System (BAS) have been conceptualized as two neural motivational systems that regulate sensitivity to punishment (BIS) and reward (BAS). Imbalance in BIS and BAS levels has been reported to be related to various forms of

Aqua[bis(pyrimidin-2-yl-kappa N)amine](carbonato-kappa 2O,O')copper(II) dihydrate.

Science.gov (United States)

van Albada, Gerard A; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan

2002-03-01

The title mononuclear complex, [Cu(CO(3))(C(8)H(7)N(5))(H(2)O)] x 2H(2)O, was obtained by fixation of CO(2) by a mixture of copper(II) tetrafluoroborate and the ligand bis(pyrimidin-2-yl)amine in ethanol/water. The Cu(II) ion of the complex has a distorted square-pyramidal environment, with a basal plane formed by two N atoms of the ligand and two chelating O atoms of the carbonate group, while the apical position is occupied by the O atom of the coordinating water molecule. In the solid state, hydrogen-bonding interactions are dominant, the most unusual being the Watson-Crick-type coplanar ligand pairing through two N--H...N bonds. Lattice water molecules also participate in hydrogen bonding.

Crystal structures of bis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III complexes containing an acetonitrile or monodentate thyminate(1− ligand

Directory of Open Access Journals (Sweden)

Mika Sakate

2016-04-01

Full Text Available The crystal structures of bis[2-(pyridin-2-ylphenyl]rhodium(III complexes with the metal in an octahedral coordination containing chloride and acetonitrile ligands, namely (OC-6-42-acetonitrilechloridobis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III, [RhCl(C11H8N2(CH3CN] (1, thyminate(1− and methanol, namely (OC-6-42-methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κN1bis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III, [Rh(C11H8N2(C5H5N2O2(CH3OH]·CH3OH·0.5H2O (2, and thyminate(1− and ethanol, namely (OC-6-42-ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ido-κN1bis[2-(pyridin-2-ylphenyl-κ2N,C1]rhodium(III, [Rh(C11H8N2(C5H5N2O2(C2H5OH]·C2H5OH (3, are reported. The acetonitrile complex, 1, is isostructural with the IrIII analog. In complexes 2 and 3, the monodeprotonated thyminate (Hthym− ligand coordinates to the RhIII atom through the N atom, and the resulting Rh—N(Hthym bond lengths are relatively long [2.261 (2 and 2.252 (2 Å for 2 and 3, respectively] as compared to the Rh—N bonds in the related thyminate complexes. In each of the crystals of 2 and 3, the complexes are linked via a pair of intermolecular N—H...O hydrogen bonds between neighbouring Hthym− ligands, forming an inversion dimer. A strong intramolecular O—H...O hydrogen bond between the thyminate(1− and alcohol ligands in mutually cis positions to each other is also observed.

SYNTHESIS AND STRUCTURE OF BIS(PHENYLTETRAMETHYLCYCLOPENTADIENYL)TITANIUM(III) HYDRIDE - THE FIRST MONOMERIC BIS(CYCLOPENTADIENYL)TITANIUM(III) HYDRIDE : The First Monomeric Bis(cyclopentadienyl)titanium(III) Hydride

NARCIS (Netherlands)

de Wolf, J.M.; Meetsma, A.; Teuben, J.H

1995-01-01

The first structurally characterized monomeric bis(cyclopentadienyl)titanium(III) hydride, (C(5)PhMe(4))(2)TiH (4), was synthesized by hydrogenolysis of (C(5)PhMe(4))(2)TiMe (5). Hydride 4 was found to be a monomeric bent sandwich by X-ray diffraction methods, and the pentamethylcyclopentadienyl

Validity and Reliability of the Abbreviated Barratt Impulsiveness Scale in Spanish (BIS-15S)*

Science.gov (United States)

Orozco-Cabal, Luis; Rodríguez, Maritza; Herin, David V.; Gempeler, Juanita; Uribe, Miguel

2010-01-01

Objective This study determined the validity and reliability of a new, abbreviated version of the Spanish Barratt Impulsiveness Scale (BIS-15S) in Colombian subjects. Method The BIS-15S was tested in non-clinical (n=283) and clinical (n=164) native Spanish-speakers. Intra-scale reliability was calculated using Cronbach’s α, and test-retest reliability was measured with Pearson correlations. Psychometric properties were determined using standard statistics. A factor analysis was performed to determine BIS-15S factor structure. Results 447 subjects participated in the study. Clinical subjects were older and more educated compared to non-clinical subjects. Impulsivity scores were normally distributed in each group. BIS-15S total, motor, non-planning and attention scores were significantly lower in non-clinical vs. clinical subjects. Subjects with substance-related disorders had the highest BIS-15S total scores, followed by subjects with bipolar disorders and bulimia nervosa/binge eating. Internal consistency was 0.793 and test-retest reliability was 0.80. Factor analysis confirmed a three-factor structure (attention, motor, non-planning) accounting for 47.87% of the total variance in BIS-15S total scores. Conclusions The BIS-15S is a valid and reliable self-report measure of impulsivity in this population. Further research is needed to determine additional components of impulsivity not investigated by this measure. PMID:21152412

Synthesis, structurale elucidation and antioxidant study of Ortho-substituted N,N’-bis(benzamidothiocarbonyl)hydrazine derivatives

Science.gov (United States)

Firdausiah, Syadza; Hasbullah, S. A.; Yamin, B. M.

2018-03-01

Some bis(thiourea) compounds have been reported to posses excellent performance in pharmaceutical and environmental fields because of their ability to form chelating complexes with various anions and metal ions. Structurally for carbonyl thiourea derivatives, to become a chelating agent, it must adopt cis-configuration. In the present study, four new bis(thiourea) derivatives namely N,N’-bis(o-fluorobenzamidothiocarbonyl)hydrazine (1), N,N’- bis(o-chloro-benzamidothiocarbonyl)hydrazine (2), N,N’-bis(o-nitrobenzamidothiocarbonyl)-hydrazine (3), and N,N’-bis(o-methylbenzamidothiocarbonyl)hydrazine (4) were successfully synthesized and characterized by CHNS microelemental analysis, FTIR, UV-Vis, and 1H and 13C NMR spectroscopy. However chemical crystallography study showed that both thiourea moieties in compound (2) and (3) adopt trans geometry. Therefore they are potential monodentate ligand with two active moieties. DPPH radical scavenging experiment showed that compound (1), (2), and (4) exhibited higher antioxidant activity than ascorbic acid (Vitamin C).

Extraordinary photoluminescence behavior of an efficient electrochemiluminophore: Tb(III) chelated by 2,6-bis[N,N-bis(carboxymethyl)aminomethyl]-4-benzoylphenol

International Nuclear Information System (INIS)

Kuosmanen, Päivi; Pusa, Matti; Salminen, Kalle; Kulmala, Sakari

2016-01-01

The reactivities of lanthanide ions in their excited states are first considered in water and the energy diagrams of most important of them are sketched to illustrate the highly oxidizing and reducing species involved reacting with one-electron steps. Anomalous photoluminescence behavior of Tb(III) chelated by 2,6-bis[N,N-bis(carboxymethyl)aminomethyl]-4-benzoylphenol is studied. The present chelate is known to show relative strong chemiluminescence in the presence of hydrated electron and oxidizing radicals but it shows an extraordinarily short luminescence lifetime of radiative relaxation of its 5 D 4 state under photoexcitation.

Extraordinary photoluminescence behavior of an efficient electrochemiluminophore: Tb(III) chelated by 2,6-bis[N,N-bis(carboxymethyl)aminomethyl]-4-benzoylphenol

Energy Technology Data Exchange (ETDEWEB)

Kuosmanen, Päivi, E-mail: paivi.kuosmanen@aalto.fi; Pusa, Matti; Salminen, Kalle; Kulmala, Sakari

2016-05-15

The reactivities of lanthanide ions in their excited states are first considered in water and the energy diagrams of most important of them are sketched to illustrate the highly oxidizing and reducing species involved reacting with one-electron steps. Anomalous photoluminescence behavior of Tb(III) chelated by 2,6-bis[N,N-bis(carboxymethyl)aminomethyl]-4-benzoylphenol is studied. The present chelate is known to show relative strong chemiluminescence in the presence of hydrated electron and oxidizing radicals but it shows an extraordinarily short luminescence lifetime of radiative relaxation of its {sup 5}D{sub 4} state under photoexcitation.

Interactions between 2,4-bis-pteridine-1,5-benzodiazepine and group 12 dihalides: synthesis, spectral and XRD structural studies and theoretical calculations.

Science.gov (United States)

Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Peña-Ruiz, Tomás; Quirós-Olozábal, Miguel; Moreno-Carretero, Miguel N

2016-11-28

2,4-Bis(1,3,7-trimethyl-pteridine-2,4(1H,3H)-dione-6-yl)-2,3-dihydro-2-methyl-1H-1,5-benzodiazepine (DLMBZD) has been prepared and its molecular and crystal structures have been determined from spectral and XRD data. The benzodiazepine ligand was reacted with zinc(ii), cadmium(ii) and mercury(ii) chloride, bromide and iodide to give complexes with general formula [M(DLMBZD)X 2 ]. The complexes have been synthesized and characterized by IR, NMR and elemental analysis. The structure of seven complexes has been obtained by single crystal X-ray diffraction. In all the cases, the metal is (2 + 2 + 1)-five-coordinated by two halide ligands, two nitrogen atoms from pyrazine and diazepine rings and a carbonyl oxygen from a pteridine ring. The coordinated-metal environment is a square-based pyramid, with increasing trigonality from Hg(ii) to Zn(ii) complexes. To coordinate the metals, the ligand folds itself, establishing four intramolecular σ-π interactions with the pyrimidine and pyrazine rings. A topological analysis of the electron density using the Quantum Theory of Atoms in Molecules and the complexes stability has been performed.

Conductivity and thermopower studies of bis-tetramethyltetraselenafulvalenium hexafluorophosphide, bis-tetramethyltetrathiafulvalenium hexafluorophosphide, and their solid solutions, (TMTSF1-xTMTTFx)2PF6

DEFF Research Database (Denmark)

Mortensen, Kell; Engler, E. M.

1984-01-01

The conductivity σ and the thermoelectric power S have been studied experimentally on the organic conductors bis-tetramethyltetraselenafulvalenium hexafluorophosphide [(TMTSF)2PF6] and bis-tetramethyltetrathiafulvalenium hexafluorophosphide [(TMTTF)2PF6] and their solid solutions: (TMTSF1-xTMTTFx)2......PF6. Dramatic effects are seen in σ already when dilute concentrations of TMTTF molecules are introduced in the TMTSF chains, and for x=0.1, σ shows generally activated behavior. The thermopower, on the contrary, remains basically unaffected for x at least as large as 0.25. These unusual findings...

Gray's BIS/BAS dimensions in non-comorbid, non-medicated social anxiety disorder.

NARCIS (Netherlands)

Morgan, B.E.; Honk, J. van; Hermans, E.J.; Scholten, M.R.; Stein, D.J.; Kahn, R.S.

2009-01-01

Gray's behavioural inhibition and behavioural activation (BIS/BAS) neural systems model has led to research on approach and withdrawal as the two most fundamental dimensions of affective behaviour, and their role in psychopathology. Although Gray proposed the BIS as the neurological basis of

3.2.1. Synthesis, crystal and molecular structure of catena-(bis(µ1-oxalic acid)-µ3-hydrogen oxalate-di-aqua-sodium(I)).

OpenAIRE

Olga Kovalchukova*, Sergey Aldoshin, Andrey Utenyshev, Konstantin Bogenko, Valeriy Tkachev

2015-01-01

The crystal and molecular structure of catena-(bis(µ- oxalic acid)-µ-hydrogen oxalate-di-aqua-sodium(I)) was detected by X-Ray analysis. The compound crystallizes in the triclinic space group P-1, with a(Å) 6.2378(12); b(Å) 7,1115(14); c(Å) 10.489(2); α(°) 94.65(3); β(°) 100.12(3); γ(°) 97.78(3). The sodium cation in the title compound is eight coordinated and forms a square antiprism. It is surrounded by two molecules of oxalic acid, one hydrogen oxalate anion and one water molecule. Both ox...

Synergistic extraction of Eu(III) with N-phosphorylated bis-ureas and chlorinated cobalt bis(dicarbollide) ion

Energy Technology Data Exchange (ETDEWEB)

Selucky, P.; Bubenikova, M.; Rais, J. [UJV Rez, a.s., Rez near Prague (Czech Republic); Gruener, B. [Academy of Sciences of the Czech Republic, Rez near Prague (Czech Republic). Inst. of Inorganic Chemistry; Brusko, V.V. [JSC NIIneftepromchim, Kazan (Russian Federation)

2013-03-01

Extraction of Eu(III) with a synergistic mixture of polydentate N-phosphorylated bis-ureas with the general formula (i-PrO){sub 2}P(O)NHC(O)NHXNHC(O)NHP(O)(Oi-Pr){sub 2} (X = (CH{sub 2}){sub 7}, (CH{sub 2}){sub 2}O(CH{sub 2}){sub 2} and (CH{sub 2}){sub 2}O(CH{sub 2}){sub 2}O(CH{sub 2}){sub 2}) and chlorinated cobalt bis(dicarbollide) ion (CCD-) with formula closo-[(1,2-C{sub 2}B{sub 9}H{sub 8}Cl{sub 3}){sub 2}-3-Co]{sup -} was studied using nitrobenzene as the solvent. Extraction of Eu(III) was very effective up to high concentrations of nitric acid. Eu(III) is most likely extracted into the organic phase as the [EuL{sub 2}]{sup 3+} species whereas the positive charge of extracted complex is compensated by CCD and/or nitrate anions. (orig.)

Structural, (197)Au Mössbauer and solid state (31)P CP/MAS NMR studies on bis (cis-bis(diphenylphosphino)ethylene) gold(I) complexes [Au(dppey)(2)]X for X = PF(6), I.

Science.gov (United States)

Healy, Peter C; Loughrey, Bradley T; Bowmaker, Graham A; Hanna, John V

2008-07-28

(197)Au Mössbauer spectra for the d(10) gold(i) phosphine complexes, [Au(dppey)(2)]X (X = PF(6), I; dppey = (cis-bis(diphenylphosphino)ethylene), and the single crystal X-ray structure and solid state (31)P CPMAS NMR spectrum of [Au(dppey)(2)]I are reported here. In [Au(dppey)(2)]I the AuP(4) coordination geometry is distorted from the approximately D(2) symmetry observed for the PF(6)(-) complex with Au-P bond lengths 2.380(2)-2.426(2) A and inter-ligand P-Au-P angles 110.63(5)-137.71(8) degrees . Quadrupole splitting parameters derived from the Mössbauer spectra are consistent with the increased distortion of the AuP(4) coordination sphere with values of 1.22 and 1.46 mm s(-1) for the PF(6)(-) and I(-) complexes respectively. In the solid state (31)P CP MAS NMR spectrum of [Au(dppey)(2)]I, signals for each of the four crystallographically independent phosphorus nuclei are observed, with the magnitude of the (197)Au quadrupole coupling being sufficiently large to produce a collapse of (1)J(Au-P) splitting from quartets to doublets. The results highlight the important role played by the counter anion in the determination of the structural and spectroscopic properties of these sterically crowded d(10) complexes.

Cytotoxicity Evaluation of Two Bis-Acryl Composite Resins Using Human Gingival Fibroblasts.

Science.gov (United States)

Gonçalves, Fabiano Palmeira; Alves, Gutemberg; Guimarães, Vladi Oliveira; Gallito, Marco Antônio; Oliveira, Felipe; Scelza, Míriam Zaccaro

2016-01-01

Bis-acryl resins are used for temporary dental restorations and have shown advantages over other materials. The aim of this work was to evaluate the in vitro cytotoxicity of two bis-acryl composite resins (Protemp 4 and Luxatemp Star), obtained at 1, 7 and 40 days after mixing the resin components, using a standardized assay employing human primary cells closely related to oral tissues. Human gingival fibroblast cell cultures were exposed for 24 h to either bis-acryl composite resins, polystyrene beads (negative control) and latex (positive control) extracts obtained after incubation by the different periods, at 37 °C under 5% CO2. Cell viability was evaluated using a multiparametric procedure involving sequential assessment (using the same cells) of mitochondrial activity (XTT assay), membrane integrity (neutral red test) and total cell density (crystal violet dye exclusion test). The cells exposed to the resin extracts showed cell viability indexes exceeding 75% after 24 h. Even when cells were exposed to extracts prepared with longer conditioning times, the bis-acryl composite resins showed no significant cytotoxic effects (p>0.05), compared to the control group or in relation to the first 24 h of contact with the products. There were no differences among the results obtained for the bis-acryl composite resins evaluated 24 h, 7 days and 40 days after mixing. It may be concluded that the bis-acryl resins Protemp 4 and Luxatemp Star were cytocompatible with human gingival fibroblasts, suggesting that both materials are suitable for use in contact with human tissues.

3,5-bis(acylamino) benzamides

International Nuclear Information System (INIS)

1976-01-01

Certain 3,5-disubstituted, 2,4,6-triiodoanilides of polyhydroxymonobasic acids have recently been found useful as non-ionic x-ray contrast agents. The 3-(lower acylamino)-5-amino-2,4,6-triiodobenzamides are prepared by hydrogenation of a 3,5-dinitrobenzamide, acylation of the resulting diamino compound to the bis-(acylamino) level and iodination of the acylamino compound

Normative data of the Barratt Impulsiveness Scale 11 (BIS-11) for Brazilian adults

OpenAIRE

Malloy-Diniz,Leandro F.; Paula,Jonas J. de; Vasconcelos,Alina G.; Almondes,Katie M. de; Pessoa,Rockson; Faria,Leonardo; Coutinho,Gabriel; Costa,Danielle S.; Duran,Victor; Coutinho,Thales V.; Corrêa,Humberto; Fuentes,Daniel; Abreu,Neander; Mattos,Paulo

2015-01-01

Objective:The Barratt Impulsiveness Scale (BIS-11) is a valid and reliable instrument, and one of the most often used tools to assess impulsivity. This study assesses the performance of a large sample of adults by using a version of BIS-11 adapted to Brazilian Portuguese.Methods:We assessed 3,053 adults from eight Brazilian states. Internal consistencies and performance data were presented for two correction criteria of BIS-11: original and the two-factor score.Results:The associations betwee...

Theory and experiment studies of the 1,4-bis(4-methoxylstyryl)benzene as a wavelength shifter of liquid scintillator

Energy Technology Data Exchange (ETDEWEB)

Zheng, Zhanlong [School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); Zhu, Jiayi [Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Bi, Yutie, E-mail: biyutie@sina.com [Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Xu, Yewei [School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Zhang, Qianfeng [Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); Zhang, Xing [Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China); Li, Junjiang [Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Zhang, Lin, E-mail: zhlmy@sina.com [School of Material Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Joint Laboratory for Extreme Conditions Matter Properties, Southwest University of Science and Technology and Research Center of Laser Fusion, Mianyang 621010 (China); Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900 (China)

2017-03-15

A novel wavelength shifter of the 1,4-bis(4-methoxylstyryl)benzene (bis-4-MOSB) was synthesized by employing the classical Horner-Wadsworth-Emmons reaction. Feasible analysis of the bis-4-MOSB as the wavelength shifter in a ternary liquid scintillator, in which p-xylene (PX) was as the solvent and 2,5-diphenyloxazole (PPO) was as the primary fluor, was carried out. The optimum prescription with 3.5 g/L PPO and 25 mg/L bis-4-MOSB was obtained with regard to the light yield. A series of characterization tests based on the optimal formulation were performed. Compared with the 1,4-bis(2-methylstyryl)benzene (bis-MSB), the maximum absorption peak at 356 nm and maximum emission peak at 421 nm in n-hexane with the red shift of 10 nm and 3 nm, respectively, were measured accordingly. The light yield characterized by using a relative measurement method achieved as high as 75.85% of the anthracene crystal. A brief density functional calculation was conducted to have an insight into the electronic structure characteristic of the bis-4-MOSB in the scintillation process. - Graphic abstract: In our work, 1,4-bis(4-methoxylstyryl)benzene (bis-4-MOSB), as a novel wavelength shifter of liquid scintillator, was designed and synthesized. A comparison including absorption spectra and electronic structure characteristic between bis-4-MOSB and bis-MSB were conducted. Its maximum emission peak lied at 421 nm in n-hexane was corresponded to the maximum response range wavelength of PMT for the bis-4-MOSB. Furthermore, compared with the bis-MSB, the wavelength shifter of bis-4-MOSB showed a better luminescence performance.

Theory and experiment studies of the 1,4-bis(4-methoxylstyryl)benzene as a wavelength shifter of liquid scintillator

International Nuclear Information System (INIS)

Zheng, Zhanlong; Zhu, Jiayi; Bi, Yutie; Xu, Yewei; Zhang, Qianfeng; Zhang, Xing; Li, Junjiang; Zhang, Lin

2017-01-01

A novel wavelength shifter of the 1,4-bis(4-methoxylstyryl)benzene (bis-4-MOSB) was synthesized by employing the classical Horner-Wadsworth-Emmons reaction. Feasible analysis of the bis-4-MOSB as the wavelength shifter in a ternary liquid scintillator, in which p-xylene (PX) was as the solvent and 2,5-diphenyloxazole (PPO) was as the primary fluor, was carried out. The optimum prescription with 3.5 g/L PPO and 25 mg/L bis-4-MOSB was obtained with regard to the light yield. A series of characterization tests based on the optimal formulation were performed. Compared with the 1,4-bis(2-methylstyryl)benzene (bis-MSB), the maximum absorption peak at 356 nm and maximum emission peak at 421 nm in n-hexane with the red shift of 10 nm and 3 nm, respectively, were measured accordingly. The light yield characterized by using a relative measurement method achieved as high as 75.85% of the anthracene crystal. A brief density functional calculation was conducted to have an insight into the electronic structure characteristic of the bis-4-MOSB in the scintillation process. - Graphic abstract: In our work, 1,4-bis(4-methoxylstyryl)benzene (bis-4-MOSB), as a novel wavelength shifter of liquid scintillator, was designed and synthesized. A comparison including absorption spectra and electronic structure characteristic between bis-4-MOSB and bis-MSB were conducted. Its maximum emission peak lied at 421 nm in n-hexane was corresponded to the maximum response range wavelength of PMT for the bis-4-MOSB. Furthermore, compared with the bis-MSB, the wavelength shifter of bis-4-MOSB showed a better luminescence performance.

Disorder-derived, strong tunneling attenuation in bis-phosphonate monolayers

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Pathak, Anshuma; Bora, Achyut; Liao, Kung-Ching; Schmolke, Hannah; Jung, Antje; Klages, Claus-Peter; Schwartz, Jeffrey; Tornow, Marc

2016-03-01

Monolayers of alkyl bisphosphonic acids (bisPAs) of various carbon chain lengths (C4, C8, C10, C12) were grown on aluminum oxide (AlO x ) surfaces from solution. The structural and electrical properties of these self-assembled monolayers (SAMs) were compared with those of alkyl monophosphonic acids (monoPAs). Through contact angle (CA) and Kelvin-probe (KP) measurements, ellipsometry, and infrared (IR) and x-ray photoelectron (XPS) spectroscopies, it was found that bisPAs form monolayers that are relatively disordered compared to their monoPA analogs. Current-voltage (J-V) measurements made with a hanging Hg drop top contact show tunneling to be the prevailing transport mechanism. However, while the monoPAs have an observed decay constant within the typical range for dense monolayers, β mono  =  0.85  ±  0.03 per carbon atom, a surprisingly high value, β bis  =  1.40  ±  0.05 per carbon atom, was measured for the bisPAs. We attribute this to a strong contribution of ‘through-space’ tunneling, which derives from conformational disorder in the monolayer due to strong interactions of the distal phosphonic acid groups; they likely form a hydrogen-bonding network that largely determines the molecular layer structure. Since bisPA SAMs attenuate tunnel currents more effectively than do the corresponding monoPA SAMs, they may find future application as gate dielectric modification in organic thin film devices.

Preparation of a Bis-GMA-Free Dental Resin System with Synthesized Fluorinated Dimethacrylate Monomers

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Shuzhen Luo

2016-12-01

Full Text Available With the aim of reducing human exposure to Bisphenol A (BPA derivatives in dentistry, a fluorinated dimethacrylate monomer was synthesized to replace 2,2-bis[4-(2-hydroxy-3-methacryloy-loxypropyl-phenyl]propane (Bis-GMA as the base monomer of dental resin. After mixing with reactive diluent triethyleneglycol dimethacrylate (TEGDMA, fluorinated dimethacrylate (FDMA/TEGDMA was prepared and compared with Bis-GMA/TEGDMA in physicochemical properties, such as double bond conversion (DC, volumetric shrinkage (VS, water sorption (WS and solubility (WSL, flexural strength (FS and modulus (FM. The results showed that, when compared with Bis-GMA based resin, FDMA-based resin had several advantages, such as higher DC, lower VS, lower WS, and higher FS after water immersion. All of these revealed that FDMA had potential to be used as a substitute for Bis-GMA. Of course, many more studies, such as biocompatibility testing, should be undertaken to prove whether FDMA could be applied in clinic.

Synthesis and Anti-Proliferative Effects of Mono- and Bis-Purinomimetics Targeting Kinases

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Andrea Bistrović

2017-11-01

Full Text Available A series of mono-pyrrolo[2,3-d]pyrimidines 4a–4k, unsymmetrical bis-purine isosteres 5a–5e and symmetrical bis-pyrrolo[2,3-d]pyrimidines 6a and 6b connected via di(1,2,3-triazolylphenyl linker were synthesized by click chemistry. Whereas mono- 4g and bis-pseudopurine 5e showed selective inhibitory activities on cervical carcinoma (HeLa cells, bis-pyrrolo[2,3-d]pyrimidine 6b exhibited potent and selective anti-proliferative effect in the nanomolar range on pancreatic carcinoma (CFPAC-1 cells. Among these, compound 6b induced a significant reduction in the expression level of CDK9 (cyclin-dependent kinase 9/cyclin T1 in CFPAC-1 cells concomitant with attenuation of proliferative signaling mediated by c-Raf (rapidly accelerated fibrosarcoma and p38 MAP (mitogen-activated protein kinases. Our findings encourage further development of novel structurally related analog of 6b to obtain more selective anticancer agent for treating pancreatic cancer.

Impact of age on both BIS values and EEG bispectrum during anaesthesia with sevoflurane in children.

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Wodey, E; Tirel, O; Bansard, J Y; Terrier, A; Chanavaz, C; Harris, R; Ecoffey, C; Senhadji, L

2005-06-01

The aim of this study was to evaluate the potential relationship between age, BIS (Aspect), and the EEG bispectrum during anaesthesia with sevoflurane. BIS and raw EEG were recorded at a steady state of 1 MAC in 100 children, and during a decrease from 2 to 0.5 MAC in a sub-group of 29 children. The bispectrum of the EEG was estimated using MATLAB software. For analysis, the bispectrum was divided into 36 frequencies of coupling (P(i))--the MatBis. A multiple correspondence analysis (MCA) was used to establish an underlying structure of the pattern of each individual's MatBis at 1 MAC. Clustering of children into homogeneous groups was conducted by a hierarchical ascending classification (HAC). The level of statistical significance was set at 0.05. At 1 MAC, the BIS values for all children ranged from 20 to 74 (median 40). Projection of both age and BIS value recorded at 1 MAC onto the structured model of the MCA showed them to be distributed along the same axis, demonstrating that the different values of BIS obtained in younger or older children are mainly dependent on their MatBis. At 1 MAC, six homogeneous groups of children were obtained through the HAC. Groups 5 (30 months; range 23-49) and 6 (18 months; range 6-180) were the younger children and Group 1 (97 months; range 46-162) the older. Groups 5 and 6 had the highest median values of BIS (54; range 50-59) (55; range 26-74) and Group 1 the lowest values (29; range 22-37). The EEG bispectrum, as well as the BIS appeared to be strongly related to the age of children at 1 MAC sevoflurane.

Crystal structures of [Ln(NO33(μ2-bpydo2], where Ln = Ce, Pr or Nd, and bpydo = 4,4′-bipyridine N,N′-dioxide: layered coordination networks containing 44 grids

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Michael L. Stromyer

2016-01-01

Full Text Available Three isostructural coordination networks of Ce, Pr, and Nd nitrate with 4,4′-bipyridine N,N′-dioxide (bpydo are reported, namely poly[[tris(nitrato-κ2O,O′cerium(III]-bis(μ2-4,4′-bipyridine N,N′-dioxide-κ2N:N′], [Ce(NO33(C10H8N2O22], poly[[tris(nitrato-κ2O,O′praeseodymium(III]-bis(μ2-4,4′-bipyridine N,N′-dioxide-κ2N:N′], [Pr(NO33(C10H8N2O22], and poly[[tris(nitrato-κ2O,O′neodymium(III]-bis(μ2-4,4′-bipyridine N,N′-dioxide-κ2N:N′], [Nd(NO33(C10H8N2O22]. All three compounds are isostructural to the previously reported La analogue. The asymmetric unit of [Ln(NO33(μ2-bpydo2] contains one lanthanide cation, two bpydo ligands, and three nitrate anions. Both bpydo ligands act as end-to-end μ2-bridges and display nearly ideal cis and gauche conformations, respectively. The bpydo ligands link the ten-coordinate LnIII cations, forming interdigitating 44 grid-like layers extending parallel to (-101, where interdigitation of layers is promoted by C—H...O interactions between nitrate anions and bpydo ligands. The interdigitated layers are linked to sets of neighboring layers via further C—H...O and π–π interactions.

Structural and electrochemical studies of TiO2 complexes with (4,4'-((1E,1'E)-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethene-2,1-diyl))bis-(E)-N-(2,5-bis(octyloxy)benzylidene)) imine derivative bases towards organic devices.

Science.gov (United States)

Rozycka, Anna; Iwan, Agnieszka; Bogdanowicz, Krzysztof Artur; Filapek, Michal; Górska, Natalia; Hreniak, Agnieszka; Marzec, Monika

2018-06-12

Three (4,4'-((1E,1'E)-(2,5-bis(octyloxy)-1,4-phenylene)bis(ethene-2,1-diyl))bis-(E)-N-(2,5-bis(octyloxy)benzylidene)) imine derivatives were synthesized via a condensation reaction with p-toluenesulfonic acid as a catalyst. The effects of the end groups and vinylene (-HC[double bond, length as m-dash]CH-) moieties on the structural, thermal, optical, electrochemical and photovoltaic properties of imines were investigated to check the influence of TiO2 on the imine properties. The thermal behavior of imines and their complexes with TiO2 was widely investigated using FT-IR, XRD, DSC and POM methods in order to determine the order type in the imine structure. All imines present the highest occupied molecular orbital (HOMO) levels of about -5.39 eV (SAI1 and SAI2) and -5.27 eV (SAI3) and the lowest unoccupied molecular orbital (LUMO) levels at about -3.17 eV. The difference of the end groups in the imines in each case did not affect redox properties. Generally, both oxidation and reduction are easier after TiO2 addition and it also changes the HOMO-LUMO levels of imines. Moreover, changes in the characteristic bands for imines in the region 1500-1700 cm-1 observed as a drastic decrease of intensity or even disappearance of bands in the imine : TiO2 mixture suggest the formation of a complex (C[double bond, length as m-dash]N)-TiO2. Organic devices with the configuration of ITO/TiO2/SAIx (or SAIx : TiO2)/Au were fabricated and investigated in the presence and absence of visible light irradiation with an intensity of 93 mW cm-2. In all imines and complexes with TiO2, the generation of the photocurrent indicates their use as photodiodes and the best result was observed for SAI3 : TiO2 complexes.

Acoplamiento molecular y actividad antibacteriana de las tioureas (R,R-N,N´-bis(1-ciclohexiletiltiourea y (R,R-N,N´-bis(1-feniletiltiourea

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Fabían Martínez Flores

2013-05-01

Full Text Available Las tioureas, son compuestos resultantes de sustituir el átomo de oxígeno de la urea (NH2CONH2 por un átomo de azufre (NH2CSNH2. Actualmente se ha visto que las tioureas presentan diversas actividades biológicas, dentro de las que se encuentra la antimicrobiana. En el presente estudio se evaluó la actividad antibacteriana mediante acoplamiento molecular entre la enzima DNA girasa (receptor y las tioureas (R, R-N,N´-bis(1 ciclohexiletiltiourea (CYTU1 y (R,R-N,N´-bis(1-feniletiltiourea (CYTU2 como ligando en busca del posible mecanismo de acción de estos compuestos, los resultados muestran que existe interacción entre la enzima y ambas tioureas en el sitio activo. Por otro lado, también se evaluó la actividad antibacteriana frente a cepas de Sthapylococcus aureus, Escherichia coli y Pseudomonas fluorescens, mediante el método de microdilución en caldo con la adición de bromuro de 3-(4,5-dimetil-2-tiazolil-2,5-difeniltetrazolium (MTT, como parte del ensayo de viabilidad, mostrando una disminución de la misma sólo contra las bacterias gram negativas, siendo la tiourea CYTU2 la que mostró mejor actividad antibacteriana. Molecular docking and antibacterial activity thioureas (R,R-N,N´-bis(1-cyclohexyethylthiourea and (R,R-N,N´-bis(1-phenylethylthiourea Abstract Thioureas are resultant compounds of substitute the oxygen atom from urea (NH2CONH2 for a sulfur atom (NH2CSNH2. There are evidential that show the biological activity of thioureas, within which are antibacterial activity. We studied the antibacterial activity of two thioureas (R,R-N,N´-bis(1 cyclohexylethylthiourea (CYTU1 y (R,R-N,N´-bis(1 phenylethylthiourea (CYTU2 in silico using Molecular Docking between the DNA gyrase enzyme (receptor and the two thioureas (ligand. The results showed interaction between DNA girase and both thioureas on the pocket of the enzyme. By other hand, the biological activity was evaluated against the following bacterial strains: Sthapylococcus

Temperature induced reversible polymorphic phase transformations in a bis-hydrazone compound

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Jayant, Vikrant; Das, Dinabandhu

2018-03-01

Two reversible polymorphic phase transformation of 2,3-butanedione, 2,3- bis[4,4‧-bis(diethylamino)benzophenone hydrazone] (DEBH) have been identified in DSC experiment. Topotactic phase transformation of three polymorphs has been observed in variable temperature Single Crystal X-ray Diffraction experiment. The reversible phase transformation of bulk material has been confirmed by Powder X-ray diffraction study.

Kinetic study of the substitution of pyridine by cyanide in the bis(pyridine)cobalt(III)hematoporphyrin-IX: distinguishing between Isub(d) and D mechanism

International Nuclear Information System (INIS)

Birush, M.; Pribanicj, M.

1977-01-01

''Mass-law (rate) retardation'' effect shows that the reaction between the cyanide ion and bis(pyridine)cobalt(III)hematoporphyrin-IX complex to give (CN) 2 cobalt(III)hematoporphyrin-IX occurs by a purely dissociative (D but not Isub(d)) mechanism in chloroform. Limiting rate constant at the excess of cyanide ion concentration at 25 deg C was found to be 2.5x10 -3 S -1 and the competition ratio of pyridine (ksub(-) 1 ) and the cyanide ion (k 2 ) for a five coordinate intermediate (pyridin) cobalt(III)hematoporphyrin-IX complex was obtained as ksub(-) 1 /k 2 =0.35. (author)

[(Nitrato-κ2O,O′(nitrito-κ2O,O′(0.25/1.75]bis(1,10-phenanthroline-κ2N,N′cadmium(II

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Ezzatollah Najafi

2011-02-01

Full Text Available The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate–nitrite title complex, [Cd(NO21.75(NO30.25(C12H8N22]. The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodecahedral CdN4O4 coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25 concerning the O atom that is not involved in bonding to the metal ion.

Controlling the oxidation of bis-tridentate cobalt(ii) complexes having bis(2-pyridylalkyl)amines: ligand vs. metal oxidation.

Science.gov (United States)

Anjana, S; Donring, S; Sanjib, P; Varghese, B; Murthy, Narasimha N

2017-08-22

Two bis-tridentate chelated cobalt(ii) complexes, which differ in the ligand structure by a methylene group, activate molecular oxygen (O 2 ), and give different oxidation products. The O 2 reaction of [Co II (pepma) 2 ] 2+ (1) with unsymmetrical 2-(2-pyridyl)-N-(2-pyridylmethyl)ethanamine (pepma) results in ligand oxidation, to the corresponding Co(ii) imine complex [Co II (pepmi) 2 ] 2+ (2). Contrastingly, the Co(ii) complex [Co II (bpma) 2 ] 2+ (3) of similar symmetrical bis(2-pyridylmethyl)amine (bpma), undergoes metal oxidation, yielding a cobalt(iii) complex, [Co III (bpma) 2 ] 2+ (4). The reversibility of the amine to imine conversion and the stability of the Co(ii) imine complex (2) are investigated. Furthermore, the solution dynamics of Co(ii) complexes are highlighted with the help of paramagnetic 1 H-NMR spectroscopy.

Comprehensive and Facile Synthesis of Some Functionalized Bis-Heterocyclic Compounds Containing a Thieno[2,3-b]thiophene Motif

Science.gov (United States)

Mabkhot, Yahia N.; Barakat, Assem; Al-Majid, Abdullah M.; Alshahrani, Saeed A.

2012-01-01

A comprehensive and facile method for the synthesis of new functionalized bis-heterocyclic compounds containing a thieno[2,3-b]thiophene motif is described. The hitherto unknown bis-pyrazolothieno[2,3-b]thiophene derivatives 2a–c, bis-pyridazin othieno[2,3-b]thiophene derivatives 4, bis-pyridinothieno[2,3-b]thiophene derivatives 6a,b, and to an analogous bis-pyridinothieno[2,3-b]thiophene nitrile derivatives 7 are obtained. Additionally, the novel bis-pyradazinonothieno[2,3-b]thiophene derivatives 9, and nicotinic acid derivatives 10, 11 are obtained via bis-dienamide 8. The structures of all newly synthesized compounds have been elucidated by 1H, 13C NMR, GCMS, and IR spectrometry. These compounds represent a new class of sulfur and Nitrogen containing heterocycles that should also be of interest as new materials. PMID:22408452

Synthesis of bis(oxamato) transition metal complexes and Ni nanoparticles and their structural, magnetic, optical, and magneto-optical characterization

Energy Technology Data Exchange (ETDEWEB)

Braeuer, Bjoern

2008-07-02

In the framework of this thesis mono- and oligonuclear Cu(II)- anf Ni(II)-bis(oxamato) complexes are synthesized in view on their magneto-optical properties and structurally characterized. About transition-charge and transition-metal induced deviations from the general reaction behaviour described in literature is reported. From electron-spin-resonance studies the spin-density distribution in the mononuclear Cu(II) complexes is derived. The influence on this by coordination geometry as well as the effects of the superexchange interaction are discussed and compared with results from the density functional theory (DFT). Trinuclear bis(oxamato) complexes are for the first time deposited on Si(111) substrates by spin coating and studied by means of the spectroscopic ellipsometry as well as the Raman spectroscopy and evaluated by means of DFT calculations. Magneto-optical Kerr-effect studies were performed on thin layers of these complexes as well as phthalocyanines. For the comparison the magnetic and magneto-optical properties of Ni nanoparticles in different organic matrices were studied. By means of the photoelectron spectroscopy the oxidation behaviour of these is studied and conclusions on charge-transfer processes between the matrices and the nanoparticles are drawn. [German] Im Rahmen dieser Arbeit werden ein- und mehrkernige Cu(II)- und Ni(II)-bis-(oxamato)-Komplexe im Hinblick auf ihre magneto-optischen Eigenschaften gezielt hergestellt und strukturell charakterisiert. Ueber ladungs- und uebergangsmetallinduzierte Abweichungen vom allgemeinen in der Literatur beschriebenen Reaktionsverhalten wird berichtet. Aus Elektronenspinresonanz-Untersuchungen wird die Spindichteverteilung in den einkernigen Cu(II)-Komplexen abgeleitet. Die Beeinflussung dieser durch die Koordinationsgeometrie sowie die Auswirkungen auf die Superaustausch- Wechselwirkung werden diskutiert und mit Ergebnissen der Dichtefunktionaltheorie (DFT) verglichen. Dreikernige bis

Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II Complex

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Hakan Arslan

2011-01-01

Full Text Available Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl acetamidocopper(II complex has been synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, with a = 13.046(2 Å, b = 13.135(2 Å, c = 13.179(2 Å, α= 67.083(4°, β= 67.968(4°, γ = 84.756(4° and Dcalc =1.330 g/cm3 for Z = 2. The crystal structure confirms that the complex is a mononuclear copper(II complex and the 2,2-diphenyl-N-(di-n-propyl-carbamothioylacetamide ligand is a bidentate chelating ligand, coordinating to the copper atom through the thiocarbonyl and carbonyl groups. This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11°, O1-Cu1-S1: 93.85(9°, O2-Cu1-S2: 94.20(9° and S1-Cu1-S2: 91.21(4°. The title molecule shows a cis-arrangement and C–O, C–S and C–N bond lengths of the complex suggest considerable electronic delocalization in the chelate rings.

[N,N-Bis(2-aminoethylethane-1,2-diamine](ethane-1,2-diaminenickel(II thiosulfate trihydrate

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Beatrix Seidlhofer

2012-02-01

Full Text Available The title compound, [Ni(C2H8N2(C6H18N4]S2O3·3H2O, was accidentally synthesized under solvothermal conditions applying [Ni(en3]Cl2 (en is ethane-1,2-diamine as the Ni source. The asymmetric unit consists of one discrete [Ni(tren(en]2+ complex [tren is N,N-bis(2-aminoethylethane-1,2-diamine] in which the Ni2+ cation is sixfold coordinated within a slightly distorted octahedron, one thiosulfate anion and three water molecules. In the crystal, the complex cations, anions and water molecules are linked by an intricate hydrogen-bonding network. One C atom of the tren ligand, as well as one O atom of a water molecule, are disordered over two sites and were refined using a split model (occupancy ratios = 0.85:15 and 0.60:0.40, respectively.

Synthesis, Crystal Structure, Luminescence, Electrochemical and Antimicrobial Properties of Bis(salamo-Based Co(II Complex

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Li Wang

2017-09-01

Full Text Available A newly designed Co(II complex, [Co3(L(OAc2(CH3OH2]·CH3OH, by the reaction of a bis(salamo-type tetraoxime ligand (H4L with Co(II acetate tetrahydrate was synthesized and characterized by elemental analyses, IR, UV-vis spectra and single-crystal X-ray crystallography. The UV-vis titration experiment manifested that a trinuclear (L:M = 1:3 complex was formed. It is worth noting that the two terminal Co(II (Co1 and Co3 atoms of the Co(II complex have different coordination modes and geometries unreported earlier. Furthermore, through intermolecular interactions (C–H···O, C–H···π and O–H···O, a 2D layer-like network is constructed. In addition, the fluorescence behaviors, antimicrobial activities and electrochemical properties of H4L and its Co(II complex were investigated.

N-donor co-ligands driven two new Co(II)- coordination polymers with bi- and trinuclear units: Crystal structures, and magnetic properties

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Zhou, Zhi-Hang; Han, Min-Le; Wu, Ya-Pan; Dong, Wen-Wen; Li, Dong-Sheng; Lu, Jack Y.

2016-10-01

Two new Co(II) coordination polymers(CPs), namely [Co2(bpe)2(Hbppc)]n (1) and [Co3(μ3-OH)(bppc)(bpm)(H2O)]·3H2O (2) (H5bppc=biphenyl-2,4,6,3‧,5‧-pentacarboxylic acid, bpe=1,2-bis(4-pyridyl)ethene, bpm=bis(4-pyridyl)amine), have been obtained and characterized by elemental analysis, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), IR spectra and thermogravimetric analysis (TGA). 1 shows a binodal (4,6)-connected fsc net with a (44·610·8)(44·62) topology, while 2 shows a binodal (5,7)-connected 3D network based on trinuclear [Co3(μ3-OH)]5+ units with unusual (3.46.52.6)(32.46.57.65.7) topology. Variable-temperature magnetic susceptibility measurements reveals that complex 1 shows ferromagnetic interactions between the adjacent Co(II) ions, whereas 2 is a antiferromagnetic system.

Activity of cationically substituted bis-benzimidazoles against experimental Pneumocystis carinii pneumonia.

Science.gov (United States)

Tidwell, R R; Jones, S K; Naiman, N A; Berger, L C; Brake, W B; Dykstra, C C; Hall, J E

1993-01-01

On the basis of a previously observed correlation between the antimicrobial activity and DNA binding strength of dicationic molecules, a series of 10 dicationically substituted bis-benzimidazoles were tested for activity in the rat model of Pneumocystis carinii pneumonia. One of the compounds, 1,4-bis[5-(2-imidazolinyl)-2-benzimidazolyl]butane, was found to be more potent and less toxic than pentamidine. PMID:8215291

Correlation of bispectral index (BIS monitoring and end-tidal sevoflurane concentration in a patient with lobar holoprosencephaly

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Dario Galante

2015-10-01

Full Text Available ABSTRACTOBJECTIVE: The bispectral index (BIS is a parameter derived by electroencephalography (EEG which provides a direct measurement of the effects of sedatives and anesthetics on the brain and offers guidance on the adequacy of anesthesia. The literature lacks studies on BIS monitoring in pediatric patients with congenital brain disease undergoing general anesthesia.CLINICAL FEATURES: A 13-year-old child weighing 32 kg, suffering from lobar holoprosencephaly, underwent surgery in which the bispectral index (BIS monitoring the depth of anesthesia showed an abnormal response. Detailed analysis of the trends of BIS values in the different observation times demonstrated sudden falls and repetitive values of BIS likely related to repetitive epileptiform electrical activity caused by sevoflurane.CONCLUSION: The BIS is a very useful monitoring tool for assessing the degree of depth of anesthesia and to analyze the electroencephalographic variations of anesthetics. Particular attention should be given to patients with congenital disorders of the central nervous system in which the BIS may give abnormal responses that do not reflect an accurate assessment of the depth of anesthesia.

Synthesis and crystal structure of the rhodium(I) cyclooctadiene complex with bis(3-tert-butylimidazol-2-ylidene)borate ligand

Energy Technology Data Exchange (ETDEWEB)

Chen, F.; Shao, K.-J.; Xiao, Y.-C.; Pu, X.-J.; Zhu, B., E-mail: zhubao-999@126.com [Affiliated Wuxi Peoples Hospital, Department of Nuclear Medicine, Nanjing Medical University (China); Jiang, M.-J., E-mail: jmj16888@126.com [Affiliated Wuxi Peoples Hospital, Department of Clinical Laboratory Science, Nanjing Medical University (China)

2015-12-15

The rhodium(I) cyclooctadiene complex with the bis(3-tert-butylimidazol-2-ylidene)borate ligand [H{sub 2}B(Im{sup t}Bu){sup 2}]Rh(COD) C{sup 22}H{sup 36}BN{sup 4}Rh, has been prepared, and its crystal structure is determined by X-ray diffraction. Complex exhibits slightly distorted square planar configurations around the metal center, which is coordinated by the bidentate H{sup 2}B(Im{sup t}Bu){sub 2} and one cyclooctadiene group. The Rh–C{sub carbene} bond lengths are 2.043(4) and 2.074(4) Å, and the bond angle C–Rh1–C is 82.59°. The dihedral angle between two imidazol-2-ylidene rings is 67.30°.

Monitoring sleep depth: analysis of bispectral index (BIS) based on polysomnographic recordings and sleep deprivation.

Science.gov (United States)

Giménez, Sandra; Romero, Sergio; Alonso, Joan Francesc; Mañanas, Miguel Ángel; Pujol, Anna; Baxarias, Pilar; Antonijoan, Rosa Maria

2017-02-01

The assessment and management of sleep are increasingly recommended in the clinical practice. Polysomnography (PSG) is considered the gold standard test to monitor sleep objectively, but some practical and technical constraints exist due to environmental and patient considerations. Bispectral index (BIS) monitoring is commonly used in clinical practice for guiding anesthetic administration and provides an index based on relationships between EEG components. Due to similarities in EEG synchronization between anesthesia and sleep, several studies have assessed BIS as a sleep monitor with contradictory results. The aim of this study was to evaluate objectively both the feasibility and reliability of BIS for sleep monitoring through a robust methodology, which included full PSG recordings at a baseline situation and after 40 h of sleep deprivation. Results confirmed that the BIS index was highly correlated with the hypnogram (0.89 ± 0.02), showing a progressive decrease as sleep deepened, and an increase during REM sleep (awake: 91.77 ± 8.42; stage N1: 83.95 ± 11.05; stage N2: 71.71 ± 11.99; stage N3: 42.41 ± 9.14; REM: 80.11 ± 8.73). Mean and median BIS values were lower in the post-deprivation night than in the baseline night, showing statistical differences for the slow wave sleep (baseline: 42.41 ± 9.14 vs. post-deprivation: 39.49 ± 10.27; p = 0.02). BIS scores were able to discriminate properly between deep (N3) and light (N1, N2) sleep. BIS values during REM overlapped those of other sleep stages, although EMG activity provided by the BIS monitor could help to identify REM sleep if needed. In conclusion, BIS monitors could provide a useful measure of sleep depth in especially particular situations such as intensive care units, and they could be used as an alternative for sleep monitoring in order to reduce PSG-derived costs and to increase capacity in ambulatory care.

Correlation of bispectral index (BIS monitoring and end-tidal sevoflurane concentration in a patient with lobar holoprosencephaly

Directory of Open Access Journals (Sweden)

Dario Galante

2015-09-01

Full Text Available Objective: The bispectral index (BIS is a parameter derived by electroencephalography (EEG which provides a direct measurement of the effects of sedatives and anesthetics on the brain and offers guidance on the adequacy of anesthesia. The literature lacks studies on BIS monitoring in pediatric patients with congenital brain disease undergoing general anesthesia. Clinical features: A 13-year-old child weighing 32 kg, suffering from lobar holoprosencephaly, underwent surgery in which the bispectral index (BIS monitoring the depth of anesthesia showed an abnormal response. Detailed analysis of the trends of BIS values in the different observation times demonstrated sudden falls and repetitive values of BIS likely related to repetitive epileptiform electrical activity caused by sevoflurane. Conclusion: The BIS is a very useful monitoring tool for assessing the degree of depth of anesthesia and to analyze the electroencephalographic variations of anesthetics. Particular attention should be given to patients with congenital disorders of the central nervous system in which the BIS may give abnormal responses that do not reflect an accurate assessment of the depth of anesthesia. Resumo: Objetivo: O índice bispectral (BIS é um parâmetro derivado por eletroencefalografia (EEG que fornece uma medida direta dos efeitos de sedativos e anestésicos no cérebro e orientação sobre a adequação da anestesia. A literatura carece de estudos sobre a monitoração do BIS em pacientes pediátricos com doença cerebral congênita submetidos à anestesia geral. Características clínicas: Criança de 13 anos de idade, pesando 32 kg, com holoprosencefalia lobar, foi submetida à cirurgia em que a monitoração da profundidade da anestesia com o uso do BIS mostrou uma resposta anormal. A análise detalhada das tendências dos valores do BIS nos diferentes tempos de observação mostrou quedas súbitas e valores repetitivos do BIS, provavelmente relacionados �

Non-Heme Iron Catalysts with a Rigid Bis-Isoindoline Backbone and Their Use in Selective Aliphatic C−H Oxidation

NARCIS (Netherlands)

Chen, Jianming; Lutz, Martin; Milan, Michela; Costas, Miquel; Otte, Matthias; Klein Gebbink, Bert

2017-01-01

Iron complexes derived from a bis-isoindoline-bis-pyridine ligand platform based on the BPBP ligand (BPBP=N,N′-bis(2-picolyl)-2,2′-bis-pyrrolidine) have been synthesized and applied in selective aliphatic C−H oxidation with hydrogen peroxide under mild conditions. The introduction of benzene

Bis(heterocumulenes) derived from the 1,4-diphenyl-1,3-butadiyne framework. Synthesis of three new classes of axially chiral biheteroaryls.

Science.gov (United States)

Alajarín, Mateo; Bonillo, Baltasar; Vidal, Angel; Bautista, Delia

2008-01-04

Bis(ketenimines) and bis(carbodiimides) derived from 1,4-bis(2-aminophenyl)-1,3-butadiynes via two independent biradical cyclizations provided, respectively, axially chiral bis(benzocarbazoles) and bis(quinindolines). Mixed biheteroaryls, consisting of benzocarbazole and quinindoline units, have been also prepared by a slightly modified strategy.

[Preparation of clear thermosetting resin for veneered crown from several bisMEPP monomers (author's transl)].

Science.gov (United States)

Tanaka, T; Nakabayashi, N; Masuhara, E

1978-07-01

The whitish translucent shade of a thermosetting resin cured from a mixture of a 2,2-Bis (p-methacryloxy (ethoxy)1-2 phenyl)-propane monomer and PMMA pearls makes it difficult to reconstruct a shade of the natural tooth. The attempt to improve the transparency of the mixed polymer was made in this study. Varying the molecular weight of BisMEPP monomer, PMMA polymer and curing temperature, cured specimens were prepared and their transparency was measured with a spectrophotometer. The results obtained are as follows. 1) In any molecular weight of PMMA, BisMEPP with 2.3 to 3.3 average number of ethylene oxide linkage showed the highest transpalency on the specimen. 2) With increasing the curing temperature, transpalency of the specimens made from BisME4.0 PP increased. With another molecular of BisMEPP, transpalency of the cured specimens showed the highest transpalency at the curing temperature of 120 degrees C. 3) With increasing the molecular weight of PMMA, the transpalency increased.

Rahumeelse läbisõidu õigus Venemaa Föderatsiooni Soome lahe vetest / Alexander Lott

Index Scriptorium Estoniae

Lott, Alexander, 1987-

2017-01-01

Venemaa Föderatsiooni õigusraamistikust ja praktikast välisriikide laevade rahumeelse läbisõidu õiguse kohta oma Soome lahe territoriaalmeres ja olukorrast, et Venemaa ei tunnusta rahumeelse läbisõidu õigust selles merealas

Di-μ-chlorido-bis[bis(η2-cycloocteneiridium(I

Directory of Open Access Journals (Sweden)

Kazuhide Tani

2008-04-01

Full Text Available The title complex, [Ir2(μ-Cl2(C8H144], has a dinuclear structure with bridging Cl atoms, a hinge angle of 179.44 (7° between the two IrCl2 planes, and an Ir...Ir distance of 3.7254 (3 Å. Regarding the coordinating C=C bonds as occupying a single coordination site each, the geometry around each Ir atom is square-planar.

Induction of spermidine/spermine N1-acetyltransferase by methylglyoxal bis(guanylhydrazone).

Science.gov (United States)

Pegg, A E; Erwin, B G; Persson, L

1985-10-17

The anti-tumor agent methylglyoxal bis(guanylhydrazone) was found to be a competitive inhibitor of spermidine/spermine N1-acetyltransferase with a Ki of about 8 microM. Treatment of rats with this drug lead to a very large increase in the total amount of spermidine/spermine N1-acetyltransferase in liver, kidney and spleen. The total increase as measured using a specific antiserum amounted to 700-fold in liver and 100-fold in kidney within 18 h of treatment with 80 mg/kg doses. At least part of this induction was due to a pronounced increase in the half-life of the acetyltransferase which increased from 15 min to more than 12 h. The very large increase in the amount of the enzyme is likely to overwhelm the direct inhibition, and a net increase in the acetylation of polyamines by this enzyme would be expected to occur after treatment with methylglyoxal bis(guanylhydrazone). The acetylated polyamines are known to be rapidly degraded by polyamine oxidase producing putrescine. Direct evidence that a substantial part of the increase in the content of putrescine in the liver of rats treated with methylglyoxal bis(guanylhydrazone) occurs via the induction of this acetylase/oxidase pathway was obtained. These results indicate that methylglyoxal bis(guanylhydrazone) affects cellular polyamine levels not only by means of its inhibitory effect on S-adenosylmethionine decarboxylase and diamine oxidase but also by the induction of spermidine/spermine N1-acetyltransferase. They also raise the possibility that the enormous increase in this enzyme which occurs with higher doses may contribute to the very severe toxicity of methylglyoxal bis(guanylhydrazone).

openBIS ELN-LIMS: an open-source database for academic laboratories.

Science.gov (United States)

Barillari, Caterina; Ottoz, Diana S M; Fuentes-Serna, Juan Mariano; Ramakrishnan, Chandrasekhar; Rinn, Bernd; Rudolf, Fabian

2016-02-15

The open-source platform openBIS (open Biology Information System) offers an Electronic Laboratory Notebook and a Laboratory Information Management System (ELN-LIMS) solution suitable for the academic life science laboratories. openBIS ELN-LIMS allows researchers to efficiently document their work, to describe materials and methods and to collect raw and analyzed data. The system comes with a user-friendly web interface where data can be added, edited, browsed and searched. The openBIS software, a user guide and a demo instance are available at https://openbis-eln-lims.ethz.ch. The demo instance contains some data from our laboratory as an example to demonstrate the possibilities of the ELN-LIMS (Ottoz et al., 2014). For rapid local testing, a VirtualBox image of the ELN-LIMS is also available. © The Author 2015. Published by Oxford University Press.

Method for synthesizing metal bis(borano) hypophosphite complexes

Science.gov (United States)

Cordaro, Joseph G.

2013-06-18

The present invention describes the synthesis of a family of metal bis(borano) hypophosphite complexes. One procedure described in detail is the syntheses of complexes beginning from phosphorus trichloride and sodium borohydride. Temperature, solvent, concentration, and atmosphere are all critical to ensure product formation. In the case of sodium bis(borano) hypophosphite, hydrogen gas was evolved upon heating at temperatures above 150.degree. C. Included in this family of materials are the salts of the alkali metals Li, Na and K, and those of the alkaline earth metals Mg and Ca. Hydrogen storage materials are possible. In particular the lithium salt, Li[PH.sub.2(BH.sub.3).sub.2], theoretically would contain nearly 12 wt % hydrogen. Analytical data for product characterization and thermal properties are given.

Steric and electronic parameters of a bulky yet flexible N-heterocyclic carbene: 1,3-bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)

KAUST Repository

Collado, Alba; Balogh, Já nos; Meiries, Sé bastien; Slawin, Alexandra M. Z.; Falivene, Laura; Cavallo, Luigi; Nolan, Steven P.

2013-01-01

The free N-heterocyclic carbene IPent (1; IPent = 1,3-bis(2,6-bis(1- ethylpropyl)phenyl)imidazol-2-ylidene) was prepared from the corresponding imidazolium chloride salt (2). The steric and electronic parameters of 1 were determined by synthesis of the gold(I) chloride complex [Au(IPent)Cl] (3) and the nickel-carbonyl complex [Ni(IPent)(CO)3] (4), respectively. 3 and 4 were fully characterized by NMR spectroscopy, elemental analysis, and X-ray diffraction studies on single crystals. © 2013 American Chemical Society.

Steric and electronic parameters of a bulky yet flexible N-heterocyclic carbene: 1,3-bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)

KAUST Repository

Collado, Alba

2013-06-10

The free N-heterocyclic carbene IPent (1; IPent = 1,3-bis(2,6-bis(1- ethylpropyl)phenyl)imidazol-2-ylidene) was prepared from the corresponding imidazolium chloride salt (2). The steric and electronic parameters of 1 were determined by synthesis of the gold(I) chloride complex [Au(IPent)Cl] (3) and the nickel-carbonyl complex [Ni(IPent)(CO)3] (4), respectively. 3 and 4 were fully characterized by NMR spectroscopy, elemental analysis, and X-ray diffraction studies on single crystals. © 2013 American Chemical Society.

Iron(iii) bis(pyrazol-1-yl)acetate based decanuclear metallacycles: synthesis, structure, magnetic properties and DFT calculations.

Science.gov (United States)

Gajewska, Małgorzata J; Bieńko, Alina; Herchel, Radovan; Haukka, Matti; Jerzykiewicz, Maria; Ożarowski, Andrzej; Drabent, Krzysztof; Hung, Chen-Hsiung

2016-09-27

The synthesis, structural aspects, magnetic interpretation and theoretical rationalizations for a new member of the ferric wheel family, a decanuclear iron(iii) complex with the formula [Fe 10 (bdtbpza) 10 (μ 2 -OCH 3 ) 20 ] (1), featuring the N,N,O tridentate bis(3,5-di-tert-butylpyrazol-1-yl)acetate ligand, are reported. The influence of the steric effect on both the core geometry and coordination mode is observed. Temperature dependent (2.0-300 K range) magnetic susceptibility studies carried out on complexes 1 established unequivocally antiferromagnetic (AF) interactions between high-spin iron(iii) centers (S = 5/2), leading to a ground state S = 0. The mechanism of AF intramolecular coupling was proved using a broken-symmetry approach within the density functional method at the B3LYP/def2-TZVP(-f)/def2-SVP level of theory.

Synthesis of Ethylene Bis-stearamide for Acrylonitrile-Butadiene-Styrene Polymer

Directory of Open Access Journals (Sweden)

M.A. Sayyadnejad

2009-12-01

Full Text Available Ethylene bis-stearamide is one of the important acrylonitrile-butadiene-styrene (ABS( polymer additives, which is used as lubricant, slip agent and mold release agent. In this research, ethylene bis-stearamide for ABS application was synthesized using stearic acid and ethylene diamine under reflux condition. Refluxing prevented ethylenediamine from evaporation and thus the initial molar ratio was maintained unchanged. The other role of refluxing was to prevent the oxidation of ethylene diamine by removal of oxygen which might have been present inside the reactor. The synthesized samples were characterized by Fourier transform infrared spectroscopy (FTIR(, total acid number and melting point. The total acid number of the synthesized samples in the lab, bench scale 1 kg( and pilot scale 30 kg( were 6.5, 8.7 and 8.6 mgKOH/g, respectively, and their melting points were in 141-144 °C range. It was found that total acid number values of samples are inversely proportional with reaction time. The longer the reaction time, the higher was the total acid number and sample purity. Compounding was carried out using ABS containing synthesized and reference ethylene bis-stearamide and the physical-mechanical properties of the samples were measured. The obtained results showed that, the measured properties such as melt flow index, impact resistance, softening temperature, heat deflection temperature, tensile strength and hardness for the compound prepared using synthesized ethylene bis-stearamide match very well with those of reference compound.

21 CFR 73.3106 - 1,4-Bis[4-(2-methacryloxyethyl) phenylamino]anthraquinone copolymers.

Science.gov (United States)

2010-04-01

...]anthraquinone copolymers. 73.3106 Section 73.3106 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF... § 73.3106 1,4-Bis[4-(2-methacryloxyethyl) phenylamino]anthraquinone copolymers. (a) Identity. The color additive is 1,4-bis[4-(2-methacryloxyethyl) phenylamino]anthraquinone (CAS Reg. No. 121888-69-5...

Development of [103Pd]-labeled-bis(N4-methylthiosemicarbazone) complexes as possible therapeutic agents

International Nuclear Information System (INIS)

Jalilian, A.R.; Sadeghi, M.; Kamrani, Y.Y.

2006-01-01

Due to interesting tumor seeking properties of bis-thiosemicarbazones, two radio palladium-bis-thiosemicarbazone complexes, i.e., [ 103 Pd]-pyruvaldehyde-bis(N 4 -methylthiosemicarbazone) ([ 103 Pd] PTSM) and [ 103 Pd]-diacetyl-bis(N 4 -methylthiosemicarbazone) ([ 103 Pd]ATSM) were prepared according to the analogy of radio copper homologs. Palladium-103 (t 1/2 = 16.96 d) was produced via the 103 Rh(p, n) 103 Pd nuclear reaction with proton energy 18 MeV. The final activity was eluted in form of Pd(NH 3 ) 2 Cl 2 in order to react with bis-thiosemicarbazones to yield [ 103 Pd]-labeled compounds. Chemical purity of the product was confirmed to be below the accepted limits by polarography. [ 103 Pd]-labeled bis-thiosemicarbazones were prepared with a radiochemical yield of more than 80% at room temperature after 60-90 min by vortexing a mixture of thiosemicarbazones and Pd activity in ethanol. The purification of the labeled compounds performed by reverse phase column chromatography using C 18 plus Sep-Pak. Radiochemical purity of more than 99% specific activity of about 12500-13 000 Ci/mol was obtained. The stability of the complexes was checked in final product and presence of human serum at 37 C up to 48 h. The partition co-efficients of the final complexes were determined. The initial physico-chemical properties of the labeled compounds were compared to those of their copper homologues. (orig.)

Bis(4-aminopyridinium hexaaquanickel(II bis(sulfate

Directory of Open Access Journals (Sweden)

Thameur Sahbani

2014-01-01

Full Text Available In the title compound, (C5H7N22[Ni(H2O6](SO42, the NiII cation is located on an inversion centre and is coordinated by six aqua ligands in a slightly distorted octahedral coordination environment. The [Ni(H2O6]2+ ions are connected through an extensive network of O—H...O hydrogen bonds to sulfate anions, leading to the formation of layers parallel to (001. The 4-aminopyridinium cations are located between these layers and are connected to the anionic framework by N—H...O hydrogen bonds. Weak π–π interactions between the pyridine rings, with a centroid–centroid distance of 3.754 (9 Å, provide additional stability to the crystal packing.

Crystal structure of ({(1R,2R-N,N′-bis[(quinolin-2-ylmethyl]cyclohexane-1,2-diamine}chloridoiron(III-μ-oxido-[trichloridoferrate(III] chloroform monosolvate

Directory of Open Access Journals (Sweden)

Hannah Swift

2017-07-01

Full Text Available The first FeIII atom in the solvated title compound, [Fe2Cl4O(C26H28N4]·CHCl3, adopts a distorted six-coordinate octahedral geometry. It is coordinated by one chloride ligand, four N atoms from the (1R,2R-N,N′-bis[(quinolin-2-ylmethyl]cyclohexane-1,2-diamine ligand, and a bridging oxido ligand attached to the second FeIII atom, which is also bonded to three chloride ions. A very weak intramolecular N—H...Cl hydrogen bond occurs. In the crystal, the coordination complexes stack in columns, and a grouping of six such columns create channels, which are populated by disordered chloroform solvent molecules. Although the Fe—Cl bond lengths for the two metal atoms are comparable to the mean Fe—Cl bond lengths as derived from the Cambridge Structural Database, the Fe—O bond lengths are notably shorter. The solvent chloroform molecule exhibits `flip' disorder of the C—H moiety in a 0.544 (3:0.456 (3 ratio. The only directional interaction noted is a weak C—H...Cl hydrogen bond.

40 CFR 721.10143 - Amines, bis (C11-14-branched and linear alkyl).

Science.gov (United States)

2010-07-01

... linear alkyl). 721.10143 Section 721.10143 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.10143 Amines, bis (C11-14-branched and linear alkyl). (a) Chemical..., bis (C11-14-branched and linear alkyl) (PMN P-06-733; CAS No. 900169-60-0) is subject to reporting...

coordination polymers based on semi-rigid/flexible bis-pyridyl-bis

Indian Academy of Sciences (India)

Thermogravimetric analy- ses (TGA) were carried out with a Pyris Diamond TG- ... ter (Mo-Kαradiation, graphite monochromator, λ = 0.71073Å for 1 and 3, ..... potentials change gradually: the cathodic peak poten- tials shifted to negative ...

Zn2+, Cd2+, Hg2+ thiolates - derivatives of 2, 3, 5-trifluoro-4,6-bis(trifluoromethyl)thiophenol and heptafluoro-2-thionaphthol

International Nuclear Information System (INIS)

Larionov, S.V.; Kirichenko, V.N.; Platonov, V.E.; Maksimov, A.M.; Rodionov, P.P.; Fadeeva, V.P.; Oglezneva, I.M.; Lisojvan, V.I.; AN SSSR, Novosibirsk

1992-01-01

Zn 2+ , Cd 2+ , Hg 2+ coordination compounds with 2, 3, 5 -trifluoro- 4,6 bis(trifluoromethyl)trhiophenol (MHal) and heptafluoro-2-thionophthal (HT) of ZnHal 2 (CH 3 OH), CdHal 2 , HgHal 2 and MT 2 (M=Zn, Cd, Hg) composition, are obtained. Complexes are studied using thermal and X-ray phase analysis, vapour phase osmometry and IR spectroscopy, ZnHal 2 (CH 3 OH), CdHal 2 , ZnT 2 , HgHfl 2 , HgT 2 compounds in acetone solutions are in monomeric state, while in CdT 2 commeric particles. Frequencies of mostly valent vibrations of Cd-S bond are observed at 241 (CdHal 2 ), 225 (CdT 2 )

Formation of a Six-Coordinate fac-[Re(Co)3]+ Complex by the N-C bond cleavage of a potentially tetradentate ligand

International Nuclear Information System (INIS)

Booysen, I.; Gerber, T. I. A.; Hosten, E.; Mayer, P.

2008-01-01

The rhenium(I) compound fac-[Re(CO) 3 (daa)]. Hpab.H 2 O (Hpab N,N'-(l,2-phenylene)bis(2'-aminobenzamide); Hdaa 2-amino-N-(2-aminophenyl)benzamide) was synthesized from the reaction of [Re(CO) 5 ,Br] with two equivalent of Hpab in toluene. The monoanionic tridentate ligand daa was formed by the rhenium-mediated cleavage of an amido N-C bond of the potentially tetradentate ligand Hpab. The compound was characterized by IR spectroscopy and X-ray crystallography, and daa is coordinated as a diamino amide via three nitrogen-donor atoms

Influence of body position, food and beverage consumption on BIS measurements

Science.gov (United States)

Medrano, G.; Eitner, F.; Ismail, A. H.; Pikkemaat, R.; Cordes, A.; Floege, J.; Leonhardt, S.

2010-04-01

Continuous monitoring of fluid changes using bioimpedance spectroscopy (BIS) during hemodialysis could help to predict hypotensive complications and extend the patient's life. Food and beverage consumption during the treatment may influence the measurements and the calculated fluid removal. In the present article the change observed in whole body and segmental (knee-to-knee, abdomen) BIS measurements following a sequence similar to the one of dialysis treatment (lying down, sitting and eating, lying down) on healthy subjects is presented. The measurements have been performed using a commercial bioimpedance device with a frequency range of 5 kHz to 1 MHz. Knee-to-knee measurements seem to be less sensitive to these influences, compared to the standard whole body and the alternative abdomen BIS measurements. The results indicate that the individual influence of both body posture and food and beverage consumption may be superposed when combined.

Synthesis of rare-earth metal amides bearing an imidazolidine-bridged bis(phenolato) ligand and their application in the polymerization of L-lactide.

Science.gov (United States)

Zhang, Zhongjian; Xu, Xiaoping; Li, Wenyi; Yao, Yingming; Zhang, Yong; Shen, Qi; Luo, Yunjie

2009-07-06

A series of neutral rare-earth metal amides supported by an imidazolidine-bridged bis(phenolato) ligand were synthesized, and their catalytic activity for the polymerization of l-lactide was explored. The amine elimination reactions of Ln[N(TMS)(2)](3)(mu-Cl)Li(THF)(3) with H(2)[ONNO] {H(2)[ONNO] = 1,4-bis(2-hydroxy-3,5-di-tert-butyl-benzyl)-imidazolidine} in a 1:1 molar ratio in tetrahydrofuran (THF) gave the neutral rare-earth metal amides [ONNO]Ln[N(TMS)(2)](THF) [Ln = La (1), Pr (2), Nd (3), Sm (4), Yb (5), and Y (6)] in high isolated yields. All of these complexes are fully characterized. X-ray structural determination revealed that complexes 1-6 are isostructural and have a solvated monomeric structure. The coordination geometry around each of the rare-earth metal atoms can be best described as a distorted trigonal bipyramid. It was found that complexes 1-6 are efficient initiators for the ring-opening polymerization of l-lactide, and the ionic radii of the central metals have a significant effect on the catalytic activity. A further study revealed that these rare-earth metal amides can initiate l-lactide polymerization in a controlled manner in the presence of 1 equiv of isopropyl alcohol.

[2 × 2] Molecular Grids of Ni(II and Zn(II with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone Ligands

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Natalia Arefyeva

2018-05-01

Full Text Available Tetranuclear complexes [M4(LR4] with M = Ni(II or Zn(II, with a [2 × 2] grid-type structure, were assembled in good yields and purity from the easily accessible but unprecedented pyrazine-bridged bis(thiosemicarbazone protoligands (ligand precursors H2LR (1,4-pyrazine-2,5-bis(R-carbaldehyde-thiosemicarbazone; R = Me, Et, iPr, or Ph. The complexes were characterised in solution by NMR, MS, IR, and UV-Vis absorption spectroscopy and (spectroelectrochemical methods. HR-MS spectra unequivocally reveal that the tetranuclear species are very stable in solution and any measurements represent these species. Only at higher temperatures (fragmentation in solution: MS and in the solid: TG-DTA or upon the addition of protons (acidic UV-Vis titrations can the tetrameric entities be decomposed. Single crystal XRD measurement remained preliminary. Rapid loss of co-crystallised solvent molecules within the [2 × 2] grid-type structures resulted in crystals of very poor quality, but the results were qualitatively in line with spectroscopy, electrochemistry, and quantum chemical (DFT calculations. IR and NMR spectroscopy point clearly to a thiolate coordination of dianionic (deprotonated ligands. The electrochemistry reveals four electronically coupled and reversible one-electron reductions centred largely at the pyrazine bridges. EPR and UV-Vis spectroelectrochemical measurements in combination with DFT calculation support the assignment.

Preparation of 166 Dy/166 Ho DTPA-bis biotin as a system of In vivo generator

International Nuclear Information System (INIS)

Jimenez V, M.R.

2003-01-01

The objective of this work was to synthesize the complex 166 Dy/ 166 Ho - diethylen triamine pentaacetic-bis Biotin ( 166 Dy/ 166 Ho DTPA-bis Biotin) to evaluate its potential as a new radiopharmaceutical in directed radiotherapy. The Dysprosium-166 was obtained for neutron irradiation of 164 Dy 2 0 3 in the TRIGA Mark III reactor. The labelled was carried out in aqueous solution to p H 8.0 for addition of 166 Dy Cl 3 to the diethylen triamine pentaacetic-α, ω-bis Biotin (DTPA-bis Biotin). The radiochemical purity was determined for HPLC and ITLC. The biological integrity of the marked biotin is evaluated by the biological recognition of the avidin for HPLC - molecular exclusion with and without avidin addition. The studies of stability in vitro were made in dilutions of saline solution to 0.9% and with human serum at 37 C incubated 1 and 24 hours. The complex 166 Dy/ 166 Ho DTPA-bis Biotin was obtained with a radiochemical purity of 99.1 ± 0.6%. The biological recognition of the complex 166 Dy/ 166 Ho DTPA-bis Biotin for the avidin it doesn't affect the labelling procedure. The studies in vitro demonstrated that the 166 Dy/ 166 Ho DTPA-bis Biotin is stable after the dilution in saline solution and in human serum that there is not translocation of the one radionuclide subsequent son to the beta decay of the 166 Dy that could produce the 166 Ho 3+ liberation. The studies of Biodistribution in healthy mice demonstrated that the one complex 166 Dy/ 166 Ho DTPA-bis Biotin have a high renal distribution. In conclusion the radiolabelled biotin in this investigation has the appropriate properties to be used as an In vivo generator system stable for directed radiotherapy. (Author)

Synthesis and characterization of two new zinc(II) coordination polymers with bidentate flexible ligands: Formation of a 2D structure with (44.62)-sql topology

Science.gov (United States)

Lalegani, Arash; Khaledi Sardashti, Mohammad; Gajda, Roman; Woźniak, Krzysztof

2017-12-01

Zinc(II) coordination polymers [Zn(bip)2(NCS)2]n (1) and [Zn(μ-bbd)(N3)2]n (2) were synthesized by using the neutral flexible bidentate N-donor ligands 1,4-bis(3,5-dimethylpyrazolyl)butane (bbd) and 1,3-bis(imidazolyl)propane (bip), mono-anionic NCS- or N3-ligand and zinc(II) chloride salts. The results of the X-ray analyses demonstrate that in the structure of 1, the zinc(II) ion is located on an inversion center and exhibits an ZnN6 octahedral arrangement while, in the structure of 2, the zinc(II) ion adopts an ZnN4 tetrahedral geometry. In the polymer 1, the NCS groups are terminally N-bonded to the metal center and the each bip with anti-gauche conformation acts as bridging connecting four zinc(II) ions to form a two-dimensional network with a sql [point symbol (44.62)] topology while, in the polymer 1, the N3 groups are terminally bonded to the metal center and each bbd with anti-anti-anti conformation acts as bridging ligand connecting two zinc(II) ions to form a one-dimensional zig-zag chain. Coordination compounds 1 and 2 have been characterized by infrared spectroscopy, elemental analyses and single-crystal X-ray diffraction. Thermal analyses of polymers were also presented.

Preparation, spectroscopic studies and X-ray structure of homobinuclear lanthanide(III complexes derived from 2,6-diformyl-4-chlorophénol-bis-(2’-hydroxy-benzoylhydrazone

Directory of Open Access Journals (Sweden)

Pepe Marcel Haba

2006-06-01

Full Text Available Reaction of the 2,6-diformyl-4-chlorophenol-bis-(2'-hydroxy-benzoylhydrazone with Ln(NO33.nH2O (n = 5 or 6 and Ln = Y, La, Ce, Pr, Nd, Sm, Gd, Dy, Er and Yb produces homobinuclear complexes. These complexes have been characterized by analysis, molar conductance, magnetic measurements, infrared spectral studies and X-ray diffraction. The analytical data showed 1:3 (metal:ligand stoichiometry. Molar conductance measurements in dmf indicate 1:3 electrolytes in all cases. Magnetic moment values are close proximity of the Van Vleck values. IR studies suggest the coordination of the ligand is through the azomethine, the phenolic oxygen atom and the carbonyl oxygen of the hydrazonic moiety. The nitrate ion is also found to be ionic in all the complexes. An X-ray structure determination of [C66H48N12O15Cl3Er2]Cl2NO3.5H2O confirms the conclusion from the spectroscopic studies and show that the erbium is at the centre of a tricapped trigonal prism with coordination number nine. In all the complexes the lanthanide ions have substantially similar coordination.

Le principe non bis in idem et le droit communautaire

OpenAIRE

Hedabou, Aziz

2018-01-01

Le principe non bis in idem est une garantie fondamentale qui interdit que les mêmes faits soit poursuivi et puni deux fois. Il est reconnu par tous les droits internes et “appartient aux droit universel des nations”. Dès lors, sa lettre et son esprit ne sont plus cantonnés au droit interne et ont tendance à s’internationaliser. En droit communautaire, l’étude du principe non bis in idem peut être envisagée sous trois angles différents. D’abord en droit pénal international unilatéral où chaqu...

BIS-2 spectrometer for search and investigation of narrow resonances

International Nuclear Information System (INIS)

Aleev, A.N.; Aref'ev, V.A.; Balandin, V.P.

1989-01-01

The configuration and main characteristics of the BIS-2 spectrometer are described. The spectrometer was intended to search for and to investigate charmed particles and narrow resonances produced in neutron-nucleus interactions. It was placed on a neutron beam of the Serpukhov accelerator. The Monte-Carlo simulated and experimentally measured characteristics of individual elements and the spectrometer as a whole are described. A brief review of the principal results based on the analysis of more than 10 7 neutron-nucleus interactions registered by means of the BIS-2 spectrometer is given. 34 refs.; 8 figs.; 5 tabs

New dual emission fluorescent sensor for pH and Pb(II) based on bis(napfthalimide) derivative

International Nuclear Information System (INIS)

Pina-Luis, Georgina; Martínez-Quiroz, Marisela; Ochoa-Terán, Adrián; Santacruz-Ortega, Hisila; Mendez-Valenzuela, Eduardo

2013-01-01

This paper describes a novel dual emission bis-1,8-naphthalimide sensor for selective determination of pH and Pb 2+ ions. The influence of the variability in the backbone that links the two fluorophores (naphthalimides) as a function of pH and metal ions was studied by UV–visible and fluorescence spectroscopy. Compounds 1(a–d) with different length alkyl linkers (CH 2 ) n (n=1, 2, 4 and 6) showed no excimer formation in aqueous solution. Fluorescence emission of these derivatives varied in a narrow range of pH (5–8) and was only slightly influenced by the addition of metal ions in CH 3 CN solutions. However, derivative 1e with amino-containing spacer (CH 2 –NH–CH 2 ) showed excimer emission in aqueous solution, a wide response to pH (2.5–9.5) and fluorescence enhancement with selective behavior towards metal ions. The pH sensor based in derivative 1e has a sufficient selectivity for practical pH monitoring in the presence of Li + , Na + , K + , Cs + , Ca 2+ , Mg 2+ , Ba 2+ , Cu 2+ , Pb 2+ , Ni 2+ , Zn 2+ and Cd 2+ . The coordination chemistry of these complexes was studied by UV–Vis, fluorescence and 1 H NMR. This chemosensor displayed high selectivity fluorescence enhancement toward Pb 2+ ions in the presence of the metals ions mentioned in CH 3 CN solutions. Competitive assays show that a 1-fold of metal cations in each case, compared with Pb 2+ ions, results in less than ±5% fluorescence intensity changes. Linear calibration up to 1×10 −5 M for Pb(II) ions (R=0.9968) was obtained and detection limit resulted of 5.0×10 −8 M. - Highlights: ► A novel dual emission bis-1,8-naphthalimide sensor for pH and Pb 2+ ions is synthetized. ► The excimer formation depends on the spacer that links the two naphthalimide groups. ► Bis(naphthalimide) with amino-containing spacer showed a wide selective response to pH. ► This chemosensor displayed a selective fluorescence enhancement effect towards Pb 2+ ions. ► Mechanism for the fluorescence OFF�

Behavioural Inhibition System (BIS) sensitivity differentiates EEG theta responses during goal conflict in a continuous monitoring task.

Science.gov (United States)

Moore, Roger A; Mills, Matthew; Marshman, Paul; Corr, Philip J

2012-08-01

Previous research has revealed that EEG theta oscillations are affected during goal conflict processing. This is consistent with the behavioural inhibition system (BIS) theory of anxiety (Gray & McNaughton, 2000). However, studies have not attempted to relate these BIS-related theta effects to BIS personality measures. Confirmation of such an association would provide further support for BIS theory, especially as it relates to trait differences. EEG was measured (32 electrodes) from extreme groups (low/high trait BIS) engaged in a target detection task. Goal conflicts were introduced throughout the task. Results show that the two groups did not differ in behavioural performance. The major EEG result was that a stepwise discriminant analysis indicated discrimination by 6 variables derived from coherence and power, with 5 of the 6 in the theta range as predicted by BIS theory and one in the beta range. Also, across the whole sample, EEG theta coherence increased at a variety of regions during primary goal conflict and showed a general increase during response execution; EEG theta power, in contrast, was primarily reactive to response execution. This is the first study to reveal a three-way relationship between the induction of goal conflict, the induction of theta power and coherence, and differentiation by psychometrically-defined low/high BIS status. Copyright © 2012 Elsevier B.V. All rights reserved.

[(Nitrato-κ2 O,O′)(nitrito-κ2 O,O′)(0.25/1.75)]bis­(1,10-phenanthroline-κ2 N,N′)cadmium(II)

Science.gov (United States)

Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng

2011-01-01

The reaction of cadmium nitrate and sodium nitrite in the presence of 1,10-phenanthroline yields the mixed nitrate–nitrite title complex, [Cd(NO2)1.75(NO3)0.25(C12H8N2)2]. The metal ion is bis-chelated by two N-heterocycles as well as by the nitrate/nitrite ions in a distorted dodeca­hedral CdN4O4 coordination environment. One nitrite group is ordered; the other is disordered with respect to a nitrate group (ratio 0.75:0.25) concerning the O atom that is not involved in bonding to the metal ion. PMID:21522904

Anion effect on the retention of recoil atom of coordination crystalline compounds

International Nuclear Information System (INIS)

Dimotakis, P.N.; Papadopoulos, B.P.

1980-01-01

The anion effect of various cobaltic crystalline compounds - having the same cation and differing in anion -on the retention of neutron activated central cobalt atom has been studied. The cation was trans-dichloro(bis)ethylenediamine cobalt(III) and the anions were simple spherical anions (Cl - , Br - , I - ), planar anions (NO 3 - ), trigonal pyramidal anions (ClO 3 - , BrO 3 - ), tetrahedral anions (SO 4 2- , CrO 4 2- , MnO 4 - ) and linear anions (SCN - ). The cobalt-60 activity after reactor irradiation either in simple Co 2+ cation or in cobaltic complex cation determined the retention values. In all irradiations at ordinary temperature and at liquid nitrogen temperature the results showed an effect of the different anions, depending on the geometry, volume and charge, on the recombination of the recoil cobalt with the ligands in the coordination sphere. (author)

Tetra­kis[bis­(pyridin-2-yl)amine-κN 2](nitrato-κO)silver(I)

Science.gov (United States)

Parashchenko, Yuliia; Pavlishchuk, Anna; Bokach, Nadezhda A.; Haukka, Matti

2014-01-01

In the title complex, [Ag(NO3)(C10H9N3)4], the nitrate ligand is found to be disordered over two sets of positions, with occupancy factors of 0.473 (5) and 0.527 (5). The AgI ion is located in a square-pyramidal coordination environment formed by four N atoms from four bis­(pyridin-2-yl)amine ligands and one O atom from a nitrate ligand. Weak inter­actions between the AgI ions and the nitrate anions acting in a monodentate mode [Ag⋯O = 2.791 (13) and 2.816 (9) Å for the major component of the nitrate ligand, and 2.865 (8) and 2.837 (8) Å for the minor component] link the complex mol­ecules into a chain along [001]. N—H⋯O hydrogen bonds are observed. PMID:24764824

The need for a coordinated development of electromobility and renewable energies; Die Notwendigkeit einer koordinierten Entwicklung der Elektromobilitaet und regenerativer Energien

Energy Technology Data Exchange (ETDEWEB)

Herzog, Helmut [Humboldt Univ. Berlin (Germany). Lebenswissenschaftliche Fakultaet; Herzog, Raimond [FH Kiel (Germany)

2017-08-15

It is a declared goal of the Federal Government and almost all German parties to implement e-mobility by 2050 and to achieve the decarbonisation of the energy industry by the end of the century. Starting from these two premises, the motor vehicle industry and the electricity market will develop very dynamically. However, they must be coordinated by legal frameworks and, as far as possible, driven by market incentives for producers and purchasers of motor vehicles, electricity producers and consumers as well as network and storage system operators. Various approaches can be developed for this. [German] Es ist erklaertes Ziel der Bundesregierung und nahezu aller deutschen Parteien, die E-Mobilitaet bis 2050 durchzusetzen und die Dekarbonisierung der Energiewirtschaft bis Ende des Jahrhunderts zu erreichen. Von diesen beiden Praemissen ausgehend, werden sich die Kraftfahrzeugbranche und der Strommarkt sehr dynamisch entwickeln. Sie muessen aber durch gesetzliche Rahmenbedingungen koordiniert und moeglichst marktkonform durch Anreize fuer Produzenten und Kaeufer von Kraftfahrzeugen, Stromerzeuger und -verbraucher sowie Netz- und Speicherbetreiber gelenkt werden. Dafuer lassen sich verschiedenen Ansaetze entwickeln.

Synthesis, DNA Binding, and Anticancer Properties of Bis-Naphthalimide Derivatives with Lysine-Modified Polyamine Linkers

Directory of Open Access Journals (Sweden)

Yu Huang

2018-01-01

Full Text Available A series of bis-naphthalimide derivatives with different diamine linkers were designed and synthesized. All of the synthesized bis-naphthalimide derivatives were characterized by NMR and HRMS spectra. The binding ability between the compounds and CT DNA was evaluated by using UV–Vis titration experiments. The bis-naphthalimide compound with an ethylenediamine linker showed the largest binding constant with CT DNA. Hence, it was used as the model compound to study the DNA binding selectivity by UV–Vis titration aiming at different DNA duplexes. As a result, this compound showed binding preference to AT-rich duplexes. The DNA binding modes of the compounds were also measured by viscosity titration. The cytotoxicity of the compounds was evaluated by MTT assay. Compounds with 1,6-diaminohexane or 1,4-phenylenedimethanamine linkers showed higher cytotoxicity compared with other bis-naphthalimide derivatives.

The preparation and characterization of Cu(II complexes with N,N’,N”,N’”-tetrakis(2-pyridylmethyl-1,4,8,11-tetraazacyclotetradecane and 2,6-diacetylpyridine bis(semi/thiosemicarbazones

Directory of Open Access Journals (Sweden)

GORDANA VUCKOVIC

2004-03-01

Full Text Available Two new Cu(II mixed-ligand complexes with octadentate N,N’,N”,N’”-tetrakis(2-pyridylmethyl-1,4,8,11-tetraazacyclotetradecane (tpmc and potentially pentadentate ligands 2,6-diacetylpyridine bis(semicarbazone (DAPsc2 or 2,6-diacetylpyridine bis(thiosemicarbazone (DAPtsc2 were prepared. The general formulas: [Cu4 DAPsc2(tpmc2]ClO48·5CH3COCH3·H2O and [Cu2 DAPtsc2(tpmc](ClO44·7C2H5OH were proposed on the basis of elemental analyses and conductometric measurements. The complexes were characterized by magnetic measurement, electronic absorption and IR spectroscopy. For the dinuclear complex, an exo coordination of Cu(II with four nitrogens from tpmc and m-bonded DAPtsc2 through sulfurs and possibly terminal hydrazinic (azomethine nitrogens is assumed. For the tetranuclear complex, it is supposed that one DAPsc2 bridges two [Cu2 tpmc]4+ units using oxygens and terminal hydrazinic nitrogens as ligators. Finally, some antibacterial activity of the complexes was found.

Convenient synthesis of bis(alkoxy)rhenium(VII) complexes

Energy Technology Data Exchange (ETDEWEB)

Zhu, Z.; Al-Ajlouni, A.M.; Espenson, J.H. [Iowa State Univ., Ames, IA (United States)

1996-02-28

The study of high-oxidation-state organorhenium compounds has been a field of continuing activity, thanks to the success of methylrhenium trioxide (CH{sub 3}ReO{sub 3} or MTO) in catalytic processes. This catalyst is effective in oxidations, olefin metathesis, the olefination of aldehydes, and the preparation of other compounds with three-membered rings. The syntheses of some rhenium compounds derived form MTO have been reported. Epoxide formation is a key reaction, and it bears directly on these findings reported here. Re(VII) complexes containing a chelated bis(diolate) ligand can be synthesized by refluxing MTO with 2,3-dimethyl-2,3-diol. Here, the authors report a more convenient method for this preparation. A different series of related compounds consists of chelated bis(diolates) of the Cp*Re-oxo series, Cp*ReO-(diolate).

Preparation of {sup 166} Dy/{sup 166} Ho DTPA-bis biotin as a system of In vivo generator; Preparacion de {sup 166} Dy/{sup 166} Ho DTPA-bis biotina como un sistema de generador In vivo

Energy Technology Data Exchange (ETDEWEB)

Jimenez V, M.R

2003-07-01

The objective of this work was to synthesize the complex {sup 166} Dy/{sup 166} Ho - diethylen triamine pentaacetic-bis Biotin ({sup 166} Dy/{sup 166} Ho DTPA-bis Biotin) to evaluate its potential as a new radiopharmaceutical in directed radiotherapy. The Dysprosium-166 was obtained for neutron irradiation of {sup 164} Dy{sub 2}0{sub 3} in the TRIGA Mark III reactor. The labelled was carried out in aqueous solution to p H 8.0 for addition of {sup 166} Dy Cl{sub 3} to the diethylen triamine pentaacetic-{alpha}, {omega}-bis Biotin (DTPA-bis Biotin). The radiochemical purity was determined for HPLC and ITLC. The biological integrity of the marked biotin is evaluated by the biological recognition of the avidin for HPLC - molecular exclusion with and without avidin addition. The studies of stability in vitro were made in dilutions of saline solution to 0.9% and with human serum at 37 C incubated 1 and 24 hours. The complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin was obtained with a radiochemical purity of 99.1 {+-} 0.6%. The biological recognition of the complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin for the avidin it doesn't affect the labelling procedure. The studies in vitro demonstrated that the {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin is stable after the dilution in saline solution and in human serum that there is not translocation of the one radionuclide subsequent son to the beta decay of the {sup 166} Dy that could produce the {sup 166} Ho{sup 3+} liberation. The studies of Biodistribution in healthy mice demonstrated that the one complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin have a high renal distribution. In conclusion the radiolabelled biotin in this investigation has the appropriate properties to be used as an In vivo generator system stable for directed radiotherapy. (Author)

Preparation of {sup 166} Dy/{sup 166} Ho DTPA-bis biotin as a system of In vivo generator; Preparacion de {sup 166} Dy/{sup 166} Ho DTPA-bis biotina como un sistema de generador In vivo

Energy Technology Data Exchange (ETDEWEB)

Jimenez V, M R

2003-07-01

The objective of this work was to synthesize the complex {sup 166} Dy/{sup 166} Ho - diethylen triamine pentaacetic-bis Biotin ({sup 166} Dy/{sup 166} Ho DTPA-bis Biotin) to evaluate its potential as a new radiopharmaceutical in directed radiotherapy. The Dysprosium-166 was obtained for neutron irradiation of {sup 164} Dy{sub 2}0{sub 3} in the TRIGA Mark III reactor. The labelled was carried out in aqueous solution to p H 8.0 for addition of {sup 166} Dy Cl{sub 3} to the diethylen triamine pentaacetic-{alpha}, {omega}-bis Biotin (DTPA-bis Biotin). The radiochemical purity was determined for HPLC and ITLC. The biological integrity of the marked biotin is evaluated by the biological recognition of the avidin for HPLC - molecular exclusion with and without avidin addition. The studies of stability in vitro were made in dilutions of saline solution to 0.9% and with human serum at 37 C incubated 1 and 24 hours. The complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin was obtained with a radiochemical purity of 99.1 {+-} 0.6%. The biological recognition of the complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin for the avidin it doesn't affect the labelling procedure. The studies in vitro demonstrated that the {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin is stable after the dilution in saline solution and in human serum that there is not translocation of the one radionuclide subsequent son to the beta decay of the {sup 166} Dy that could produce the {sup 166} Ho{sup 3+} liberation. The studies of Biodistribution in healthy mice demonstrated that the one complex {sup 166} Dy/{sup 166} Ho DTPA-bis Biotin have a high renal distribution. In conclusion the radiolabelled biotin in this investigation has the appropriate properties to be used as an In vivo generator system stable for directed radiotherapy. (Author)

Inhibition of S-adenosylmethionine decarboxylase and diamine oxidase activities by analogues of methylglyoxal bis(guanylhydrazone) and their cellular uptake during lymphocyte activation.

OpenAIRE

Jänne, J; Morris, D R

1984-01-01

Several congeners of methylglyoxal bis(guanylhydrazone) were tested for their ability to inhibit eukaryotic putrescine-activated S-adenosylmethionine decarboxylase (EC 4.1.1.50) and intestinal diamine oxidase (EC 1.4.3.6). All the compounds tested, namely methylglyoxal bis(guanylhydrazone), ethylglyoxal bis(guanylhydrazone), dimethylglyoxal bis(guanylhydrazone) and the di-N"-methyl derivative of methylglyoxal bis(guanylhydrazone), were strong inhibitors of both yeast and mouse liver adenosylm...

Thermal decomposition of potassium bis-oxalatodiaqua- indate(III ...

Indian Academy of Sciences (India)

Unknown

32), temperature programmable thermal balance, with platinum crucible as container, is used for taking thermograms in air. The rate of heating is fixed at ... Thermal decomposition of pot. bis-oxalatodiaquaindate (III).H2O. 277. 3. Results and ...

Nootropic effects of bis(citratogermanates (stannates with different metals (Mg, Co in their structure

Directory of Open Access Journals (Sweden)

V. V. Godovan

2014-10-01

Full Text Available Aim. Nootropic effects of bis(citratogermanates (stannates with different metals (Mg, Co have been investigated in this article. With this aim the peculiarities of conditioned reflex formation as well as short- and long-term memory manifestations under the influence of the investigated coordinative compounds have been studied for 256 rats with the help of pathophysiological and pharmacological methods. Methods and results. It has been shown that stannates influence on the development of active avoidance conditioned reflex as well as on the manifestations of mnestic functions. It has been found that germacit and gercocit induce positive nootropic effects that occur in case of low dose drugs administration and are characterized by relief of conditioned reflex formation and by short- and long-term memory improvement at the same time. Conclusion. Stanmacit and stancocit also have nootropic effects that dependent on dose and are characterized by nootropic effect during administration in low doses and by amnestic effect at doses starting from 1/40 LD50. This indicates that stannates show nootropic activity

Effect of the substituents on the photophysical, electrochemical and electroluminescence properties of OLED dopant Iridium bis(2-phenylbenzothiozolato- N,C2')(acetylacetonate)

Science.gov (United States)

Ivanov, P.; Tomova, R.; Petrova, P.

2014-12-01

The effect of two substituents: clorine and 1,3-diphenylpropane-1,3-dionate, placed on different position in the molecule of Iridium (III) bis(2-phenylbenzothiozolato-N,C2')- (acetylacetonate) (bt)2Ir(acac), on its electrochemical behaviour, photophysical and electroluminescence properties were investigated. Three complexes (bt)2Ir(acac), Iridium (III) bis[2-(4-chlorophenyl)benzothiazolato-N,C2']-acetylacetonate (Clbt)2Ir(acac), in which the Cl atom was introduced on the 4-position in the benzothiazole ring, and the new Iridium (Ill) bis[2 -phenylbenzothiazolato -N,C2'] -(1,3 -diphenylpropane-1,3 -dionate) (bt)2Ir(dbm), where ancillary acetylacetonate ligand was replaced by 1,3-diphenylpropane-1,3-dionate, were synthesized and characterised by 1H-NMR and elemental analysis. The HOMO/LUMO energy levels of the complexes were determined by cyclic voltammetry (CV) and their properties were established by UV-Visible and fluorescence spectroscopy. The application of (Clbt)2Ir(acac), (bt)2Ir(bsm) and (bt)2Ir(acac) as dopants in hole transporting layer (HTL) of Organic light- emitting diodes(OLEDs). It was found that with respect to the reference (bt)2Ir(acac): both LUMO and HOMO of the substituted complexes were shifted to more positive values accordingly with 0.23 and 0.19 eV for (Clbt)2Ir(acac) and 0.14 and 0.12 eV for (bt)2Ir(dbm). OLEDs doped with 1 w% of the complexes irradiated the warm white light with Commission internationale de l'eclairage (CIE) coordinates: 0.24;0.38 for (Clbt)2Ir(acac), 0.30;0.44 for (bt)2Ir(acac) and 0.28;0.46 for (bt)2Ir(dbm). Devices doped with 10 w% of all complexes irradiated in the yellow orange region of the spectrum.

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands

International Nuclear Information System (INIS)

Wang, Chao; Zhao, Jun; Xia, Liang; Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan

2016-01-01

Three new coordination polymers, namely, {[Ni(H 2 L)(bix)(H 2 O) 2 ]·2h 2 O} n (1), {[Ni(HL)(Hdpa)(H 2 O) 2 ]·H 2 O} n (2), {[Ni(L) 0.5 (bpp)(H 2 O)]·H 2 O} n (3) (H 4 L=terphenyl-2,2′,4,4′-tetracarboxylic acid; bix=1,4-bis(imidazol-1-ylmethyl)benzene; dpa =4,4′-dipyridylamine; bpp=1,3-bis(4-pyridyl)propane), based on rigid H 4 L ligand and different N-donor co-ligands, have been synthesized under hydrothermal conditions. Compound 1 features a 3D 4-connected 6 6 -dia-type framework with H 4 L ligand adopts a μ 2 -bridging mode with two symmetry-related carboxylate groups in μ 1 -η 1 :η 0 monodentate mode. Compound 2 displays a 1D [Ni(HL)(Hdpa)] n ribbon chains motif, in which the H 4 L ligand adopts a μ 2 -bridging mode with two carboxylate groups in μ 1 -η 1 :η 1 and μ 1 -η 1 :η 0 monodentate modes, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology, with H 4 L ligand displays a μ 4 -bridging coordination mode. The H 4 L ligand displays not only different deprotonated forms but also diverse coordination modes and conformations. The structural diversities among 1–3 have been carefully discussed, and the roles of N-donor co-ligands in the self-assembly of coordination polymers have been well documented. - Graphical abstract: Three nickel coordination polymers with different architectures based on mixed ligand system were synthesized and structurally characterized. Topology analyses indicate that 1 shows the 4-connected 6 6 -dia net, 1D ribbon chains for 2 and 3D (4,4)-connected bbf network for 3. Display Omitted - Highlights: • Three Ni-based coordination polymers with distinct features have been prepared. • Compound 1 features a 3D 4-connected 66-dia-type framework, 2 displays a 1D [Ni(HL)(Hdpa)] n ribbon chains motif, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology. • The “mixed ligand assembled” strategy is significant potential for network design.

Bis[O,O′-bis(4-tert-butylphenyl dithiophosphato-κ2S,S′]bis(pyridine-κNlead(II

Directory of Open Access Journals (Sweden)

Xiulan Zhang

2013-09-01

Full Text Available In the title compound, [Pb(C20H26O2PS22(C5H5N2], the PbII ion is coordinated by two S,S′-bidentate anions and two pyridine molecules. The PbN2S4 coordination geometry approximates to a pentagonal bipyramid with one equatorial site vacant. The N atoms occupy the axial sites. One of the pyridine molecules is disordered over two sets of sites in a 0.907 (7:0.093 (7 ratio and one of the tert-butyl groups is disordered over two sets of sites in a 0.534 (6:0.466 (6 ratio. An intramolecular C—H...O interaction occurs in one of the ligands. In the crystal, pairs of short Pb...S contacts [3.4018 (11 Å] generate a centrosymmetric dimeric assembly with the distant S atom lying in the region of the vacant coordination site of the metal atom. No directional packing interactions occur.

Trypanocidal 1,3-arylene diketone bis(guanylhydrazone)s. Structure-activity relationships among substituted and heterocyclic analogues.

Science.gov (United States)

Ulrich, P; Cerami, A

1984-01-01

Based on the antitrypanosomal activity of 1,3-diacetylbenzene bis(guanylhydrazone) (4) and 2,6-diacetylpyridine bis(guanylhydrazone) (17), a number of substituted and heterocyclic 1,3-arylene diketone bis(guanylhydrazone)s were prepared and tested against Trypanosoma brucei infections in mice. A wide range of ED50 values was observed among 5-substituted derivatives of 4. The 5-amino analogue 5 and 5-acetamido analogue 6 were about twice as active as 4. 1,3,5-Triacetylbenzene tris(guanylhydrazone) (12) was about 9 times as active as 4 and was approximately one-half as active as the currently used trypanocide diminazene aceturate in this test system. Other 5-derivatives had activity equivalent to or less than that of the parent compound 4. Three new heterocyclic analogues were all less active than 2,6-diacetylpyridine derivative 17 and benzene derivative 4. Ring substitution ortho to the guanylhydrazone side chains was invariably detrimental to activity. Side-chain homologues 1,3-dipentanoylbenzene bis(guanylhydrazone) and 1,3-diacetylbenzene bis(2-imidazolin-2-ylhydrazone) were essentially inactive.

Polymerization behavior of butyl bis(hydroxymethyl)phosphine oxide ...

Indian Academy of Sciences (India)

lenovo

Polymerization behavior of butyl bis(hydroxymethyl)phosphine oxide: Phosphorus containing polyethers for. Li‒ion conductivities. Heeralal Vignesh Babu, Billakanti Srinivas and Krishnamurthi Muralidharan*. School of Chemistry, University of Hyderabad, Hyderabad - 500046, India. Table of Contents. TGA plots of SPE2.

Conformational switching of ethano-bridged Cu,H2-bis-porphyrin induced by aromatic amines.

Science.gov (United States)

Bettini, Simona; Maglie, Emanuela; Pagano, Rosanna; Borovkov, Victor; Inoue, Yoshihisa; Valli, Ludovico; Giancane, Gabriele

2015-01-01

Cu,H2-bis-porphyrin (Cu,H2-Por2), in which copper porphyrin and free-base porphyrin are linked together by an ethano-bridge, was dissolved in chloroform and spread at the air/liquid subphase interface of a Langmuir trough. The bis-porphyrin derivative, floating film was characterized by reflection spectroscopy and the surface pressure of the floating film was studied as a function of the mean area per molecule. When aromatic amines are dissolved in the subphase, an evident interaction between the bis-porphyrin host and the aromatic amine guest is observed. A clear-cut variation of the profile of surface pressure vs area per molecule curve is observed. Reflection spectroscopy highlights that the aromatic amines dissolved in the subphase are able to induce the syn-to-anti conformational switching in the bis-porphyrin derivative. The Langmuir-Schaefer technique has been used to transfer the floating bis-porphyrin film (when using pure water as a subphase) to a surface plasmon resonance (SPR) substrate and the resulting device was able to detect the presence of aniline at concentrations as low as 1 nM in aqueous solution. The high selectivity of the SPR sensing device has been verified by checking the spectral response of the active layer towards other analytes dissolved in the aqueous solutions.

Conformational switching of ethano-bridged Cu,H2-bis-porphyrin induced by aromatic amines

Directory of Open Access Journals (Sweden)

Simona Bettini

2015-11-01

Full Text Available Cu,H2-bis-porphyrin (Cu,H2-Por2, in which copper porphyrin and free-base porphyrin are linked together by an ethano-bridge, was dissolved in chloroform and spread at the air/liquid subphase interface of a Langmuir trough. The bis-porphyrin derivative, floating film was characterized by reflection spectroscopy and the surface pressure of the floating film was studied as a function of the mean area per molecule. When aromatic amines are dissolved in the subphase, an evident interaction between the bis-porphyrin host and the aromatic amine guest is observed. A clear-cut variation of the profile of surface pressure vs area per molecule curve is observed. Reflection spectroscopy highlights that the aromatic amines dissolved in the subphase are able to induce the syn-to-anti conformational switching in the bis-porphyrin derivative. The Langmuir–Schaefer technique has been used to transfer the floating bis-porphyrin film (when using pure water as a subphase to a surface plasmon resonance (SPR substrate and the resulting device was able to detect the presence of aniline at concentrations as low as 1 nM in aqueous solution. The high selectivity of the SPR sensing device has been verified by checking the spectral response of the active layer towards other analytes dissolved in the aqueous solutions.

Effects of polyamines and methylglyoxal bis(guanylhydrazone) on hepatic nuclear structure and deoxyribonucleic acid template activity.

Science.gov (United States)

Brown, K B; Nelson, N F; Brown, D G

1975-12-01

1. The interaction of polyamines and methylglyoxal bis(guanythydrazone) (1, 1'-[(methylethanediylidene)-dinitrilo]diguanidine) with isolated rat liver nuclei was investigated by electron microscopy. 2. At 4mM, putrescine was without effect; however, spermidine, spermine or methylglyoxal bis(guanythydrazone) resulted in dispersed chromatin and alterations in nucleolar structure. In addition, spermidine or methylglyoxal bis(guanylhydrazone) caused marked aggregation of interchromatin granules. 3. The DNA template property of calf thymus DNA was examined by using DNA polymerases from Escherichia coli, Micrococcus lysodeikticus and calf thymus in the presence of 0-5 mM-amine. 4. In the presence of DNA polymerase, spermine or methylglyoxal bis(guanylhydrazone) inhibited activity, whereas putrescine or spermidine had much less effect or in some cases stimulated [3H]dTMP incorporation. 5. Template activity which was inhibited by spermine or methylglyoxal bis(guanylhydrazone) could be partially restored by additional DNA or enzyme. 6. When mixed with calf thymus DNA, calf thymus histone inhibited template activity as measured with E. coli DNA polymerase. The template activity of such a 'histone-nucleate' could not be restored by putrescine, spermidine, spermine or methylglyoxal bis(guanylhydrazone). 7. DNA template activity of isolated rat liver nuclei was tested by using E. coli DNA polymerase. None of the amines was able to increase the template activity of the nuclear DNA in vitro.

Synthesis of peptide thioacids at neutral pH using bis(2-sulfanylethyl)amido peptide precursors.

Science.gov (United States)

Pira, Silvain L; Boll, Emmanuelle; Melnyk, Oleg

2013-10-18

Reaction of bis(2-sulfanylethyl)amido (SEA) peptides with triisopropylsilylthiol in water at neutral pH yields peptide thiocarboxylates. An alkylthioester derived from β-alanine was used to trap the released bis(2-sulfanylethyl)amine and displace the equilibrium toward the peptide thiocarboxylate.

Synthesis, characterization and single crystal x-ray analysis of a complex of iron(II) bis(2,4-dimethylphenyl)dithiophosphate with 4-ethylpyridine

Energy Technology Data Exchange (ETDEWEB)

Kumar, Sandeep; Andotra, Savit; Kaur, Mandeep [University of Jammu, Department of Chemistry (India); Gupta, Vivek K.; Kant, Rajni [Department of Physics and Electronics, University of Jammu, X-ray Crystallographic Laboratory (India); Pandey, Sushil K., E-mail: kpsushil@rediffmail.com [University of Jammu, Department of Chemistry (India)

2016-09-15

Complex of iron(II) bis(2,4-dimethylphenyl)dithiophosphate with 4-ethylpyridine [((2,4- (CH{sub 3}){sub 2}C{sub 6}H{sub 3}O)2PS2)2Fe(NC{sub 5}H{sub 4}(C{sub 2}H{sub 5})-4){sub 2}] is synthesized and characterized by elemental analysis, magnetic moment, IR spectroscopy and single crystal X-ray analysis. Complex crystallizes in the monoclinic sp. gr. P2{sub 1}/n, Z = 2. Crystal structure consists of mononuclear units with Fe(II) ion chelated by four S atoms of the two diphenyldithiophosphate ligands in bidentate manner. N atoms from two 4-ethylpyridine ligands are axially coordinated to the Fe(II) atom leading to an octahedral geometry.

Synthesis and Characterisation of Eight Isomeric Bis(2-pyridyloxynaphthalenes

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Peter J. Steel

2006-09-01

Full Text Available Eight isomeric bis(2-pyridyloxynaphthalenes have been prepared from reactions of 2-bromopyridine with the appropriate dihydroxynaphthalene and the products fully characterised by 1- and 2-D NMR spectroscopy.

bis-NHC complexes of R-BINOL scaffold

Indian Academy of Sciences (India)

SONALI RAMGOPAL MAHULE

2017-09-04

Sep 4, 2017 ... The newly synthesized bis-NHC ligand precursor (1g) and its corresponding {[L(L -NHC)2]Ag}Cl (1h) and .... -binaphthyl (1f) (0.500 g, 1.21 mmol) and 1-i-propyl- ... chloride (1g) (0.250 g, 0.340 mmol) and Ag2O (0.078 g, 0.340.

SYNTHESIS OF BIS-QUINOXALINE DERIVATIVES USING TONSIL ...

African Journals Online (AJOL)

A convenient and efficient synthesis of new bis-quinoxaline is described, involving ... the following composition (in %): SiO2: 74.5, Al2O3: 9.3, MgO: 0.4, Fe2O3: 1.3, CaO: 4.0, K2O: 0.4 and .... Tonsil clay is a nanoparticle with layered structure.

KINETICS OF SUBSTITUTION OF CIS-BIS(MALONATO ...

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In this process, it indicated that the substitution reaction occurs through an Ia mechanism in the ... isotopic water exchange and other anation processes. ... The potassium salt of cis-bis(malonato)diaquochromate(III) was prepared by a reported [26] ... of the synthesized metal complex showed maxima at 415 nm (ε = 41.6 M-1 ...

Growth and characterization of nonlinear optical single crystals: bis ...

Indian Academy of Sciences (India)

Administrator

molecules have received great attention for NLO applica- tions. However ... Figure 3. Single crystals of bis(cyclohexylammonium) terephthalate (crystal a) and cyclohexylammo- .... from ground state to higher energy states.17 Optical window ...

Cytotoxicity, DNA binding and localisation of novel bis-naphthalimidopropyl polyamine derivatives.

Science.gov (United States)

Pavlov, V; Kong Thoo Lin, P; Rodilla, V

2001-07-31

Bis-naphthalimidopropyl spermidine (BNIPSpd), spermine (BNIPSpm) and oxa-spermine (BNIPOSpm) showed high in vitro cytotoxicity against human breast cancer MCF-7 cells with IC(50) values of 1.38, 2.91 and 8.45 microM, respectively. These compounds were found to effectively displace the intercalating agent ethidium bromide bound to the calf thymus DNA using fluorimetric methods (C(50) 0.08-0.12 microM) and their apparent equilibrium binding constants (K(app)) were calculated to be in the range of 10.5-18 x 10(7) M(-1). Furthermore, strong stabilisation of calf thymus DNA duplex in the presence of bis-naphthalimidopropyl polyamine derivatives (BNIPSpd, BNIPSpm and BNIPOSpm) was observed by UV spectrophotometric analysis (T(m)=93.3-97 degrees C compared with 75 degrees C for calf thymus DNA without drug). Because of their inherent fluorescence, these compounds were localised preferentially inside the nucleus as evidenced by their direct observation under the fluorescence microscope. The results obtained suggest that the cytotoxic activity of the bis-naphthalimidopropyl polyamines may be in part, caused by their effects on DNA.

Effects of phenylated compounds of methylglyoxal bis(guanylhydrazone) on diamine oxidase activity from rat small intestine.

Science.gov (United States)

Balaña-Fouce, R; Pulido, T G; Escudero, D O; Sanz-Sanchez, F

1986-01-01

Two phenylated compounds of methylglyoxal bis(guanylhydrazone), potentially inhibitors of diamine oxidase activity, have been synthesized: phenylglyoxal bis(guanylhydrazone) and diphenylglyoxal bis(guanylhydrazone). Their inhibitory capacity was tested: while PGBG was able to reduce the enzyme activity by 50% at 1.3 microM, DPGBG was only able to reduce diamine oxidase activity by less than 2% at a concentration 1000-fold higher. The inhibition of PGBG was non-competitive and the Ki calculated by a Dixon plot was estimated as 1.7 microM.

Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior

Energy Technology Data Exchange (ETDEWEB)

Lytvynenko, Anton S. [L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kiev 03028 (Ukraine); Kiskin, Mikhail A., E-mail: mkiskin@igic.ras.ru [N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prospect 31, GSP-1, 119991 Moscow (Russian Federation); Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V. [L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kiev 03028 (Ukraine); Eremenko, Igor L.; Novotortsev, Vladimir M. [N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prospect 31, GSP-1, 119991 Moscow (Russian Federation)

2015-03-15

Linking of trinuclear pivalate Fe{sub 2}NiO(Piv){sub 6} (Piv=O{sub 2}CC(CH{sub 3}){sub 3}) by 2,6-bis(4-pyridyl)-4-(1-naphthyl)pyridine (L) resulted in formation of 1D-porous coordination polymer Fe{sub 2}NiO(Piv){sub 6}(L)·Solv, which was characterized in two forms: DMSO solvate Fe{sub 2}NiO(Piv){sub 6}(L)(DMSO)·2.5DMSO (1) or water solvate Fe{sub 2}NiO(Piv){sub 6}(L)(H{sub 2}O) (2). X-ray structure of 1 was determined. Crystal lattice of 1 at 160 K contained open channels, filled by captured solvent, while temperature growth to 296 K led to the crystal lattice rearrangement and formation of closed voids. Redox-behavior of 2 was studied by cyclic voltammetry for a solid compound, deposited on glassy-carbon electrode. Redox-activity of L preserved upon incorporation in the coordination polymer. The presence of pores in desolvated sample Fe{sub 2}NiO(Piv){sub 6}(L) was confirmed by the measurements of N{sub 2} and H{sub 2} adsorption at 77 K. Potential barriers of the different molecules diffusion through pores were estimated by the means of molecular mechanics. - Graphical abstract: Redox-behavior of 1D-porous coordination polymer Fe{sub 2}NiO(Piv){sub 6}(L)(H{sub 2}O) was studied by cyclic voltammetry in thin film, deposited on glassy-carbon electrode. Redox-activity of L preserved upon incorporation in the coordination polymer. Potential barriers of different molecules diffusion through pores were estimated by the means of molecular mechanics. - Highlights: • Porous 1D coordination polymer was synthesized. • Temperature growth led to pores closing due to crystal lattice rearrangement. • Redox-activity of ligand preserved upon incorporation into coordination polymer. • Redox-properties of solid coordination polymer were studied in thin film. • Diffusion barriers were evaluated by molecular mechanics.

Green Approach To Synthesize Crystalline Nanoscale ZnII-Coordination Polymers: Cell Growth Inhibition and Immunofluorescence Study.

Science.gov (United States)

Mukherjee, Somali; Ganguly, Sumi; Manna, Krishnendu; Mondal, Sanchaita; Mahapatra, Supratim; Das, Debasis

2018-04-02

Five new coordination polymers (CPs) namely, [{Zn(μ 2 -H 2 O) 0.5 (5N 3 -IPA)(2,2'-bpe)}] ∞ (1), [{Zn(μ 2 -H 2 O) 0.5 (5N 3 -IPA)(1,10-phen)}] ∞ (2), [{Zn(5N 3 -IPA)(1,2-bpe)}] ∞ (3), [{Zn(5N 3 -IPA)(1,2-bpey)}] ∞ (4), and [{Zn(H 2 O)(5N 3 -IPA)(4,4'-tme)}(H 2 O) 0.5 ] ∞ (5) (5N 3 -H 2 IPA = 5-azidoisophthalic acid, 2,2'-bpe= 2,2'-bipyridine, 1,10-phen = 1,10-phenanthroline, 1,2-bpe = 1,2-bis(4-pyridyl)ethane, 1,2-bpey = 1,2-bis(4-pyridyl)ethylene, 4,4'-tme = 4,4'-trimethylenedipyridine), have been synthesized based on a mixed ligand approach adopting a solvothermal technique. Depending upon the intrinsic structural flexibility of the bis-pyridyl coligands, interesting structural topologies have also been observed in the resulting CPs: Sra SrAl2 type topology for 3 and a 3-fold interpenetrated dmp topology for 4. A green hand grinding technique has been implemented to reduce the particle size of the CPs to generate nanoscale CPs (NCPs). SEM studies of NCPs reveal the formation of square and spherical particles for NCP 1 and 2, respectively, and nano rod for NCP 3, 4, and 5. Remarkably, when scaled down to nano range all the NCPs retain their crystalline nature. The cytotoxic activity of the NCPs (1-5) has been studied using human colorectal carcinoma cells (HCT 116). Significant cell death is observed for NCP 2, which is further corroborated by cell growth inhibition study. The observed cell death is likely to be due to mitochondrial-assisted apoptosis as is evident from immunofluorescence study.

Ternary (liquid + liquid) equilibria of {bis(trifluoromethylsulfonyl)-amide based ionic liquids + butan-1-ol + water}

International Nuclear Information System (INIS)

Marciniak, Andrzej; Wlazło, Michał; Gawkowska, Joanna

2016-01-01

Highlights: • Ternary (liquid + liquid) equilibria for 3 ionic liquid + butanol + water systems. • The influence of ionic liquid structure on phase diagrams is discussed. • Influence of IL structure on S and β for butanol/water separation is discussed. - Abstract: Ternary (liquid + liquid) phase equilibria for 3 systems containing bis(trifluoromethylsulfonyl)-amide ionic liquids (1-buthyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide, 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide, {1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluorylsulfonyl)-amide) + butan-1-ol + water} have been determined at T = 298.15 K. The selectivity and solute distribution ratio were calculated for investigated systems and compared with literature data for other systems containing ionic liquids. In each system total solubility of butan-1-ol and low solubility of water in the ionic liquid is observed. The experimental results have been correlated using NRTL model. The influence of the structure of ionic liquid on phase equilibria, selectivity and solute distribution ratio is shortly discussed.

Comparison of specificity of inhibition of polyamine synthesis in bovine lymphocytes by ethylglyoxal bis(guanylhydrazone) and methylglyoxal bis(guanylhydrazone).

Science.gov (United States)

Igarashi, K; Porter, C W; Morris, D R

1984-11-01

Ethylglyoxal bis(guanylhydrazone) (EGBG) was compared as an inhibitor of polyamine biosynthesis with methylglyoxal bis(guanylhydrazone) (MGBG) in bovine small lymphocytes stimulated by concanavalin A. EGBG brought about a decrease in spermidine and spermine levels equal to that found with MGBG, but at a 5-fold lower intracellular drug concentration. Despite identical polyamine levels, the degree of inhibition of DNA and protein synthesis by EGBG was smaller than that observed with MGBG, in either the presence or absence of the ornithine decarboxylase inhibitor, alpha-difluoromethylornithine. It was found that in vitro protein synthesis and in vivo mitochondrial function were inhibited by concentrations of MGBG necessary to inhibit polyamine synthesis in cells (1 to 3 mM), but not by efficacious levels of EGBG (0.2 to 0.6 mM). These results suggest that EGBG is more suitable as a specific inhibitor of polyamine biosynthesis and that use of this drug, rather than MGBG, in combination with alpha-difluoromethylornithine may be useful for studying the physiological functions of polyamines in animal cells.

Synthesis and Characterization of Novel Copper(II 2D Coordination Polymers from a Fluorinated Flexible Ligand with Remarkable Clathration Ability

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Kayoko Kasai

2011-11-01

Full Text Available Two-dimensional (2D grid coordination polymers were prepared by the reaction of 1,4-bis(4-pyridylmethyltetrafluorobenzene (bpf with Cu(NO32 in the presence of aromatic compounds. Crystal structures of {[Cu(bpf2(NO32]·(biphenyl2}n (1, {[Cu(bpf2(NO32]·(m-C6H4(OMe22}n (2, {[Cu(bpf2(NO32]·PhtBu}n (3 and {[Cu(bpf2(NO3(H2O]NO3·(bpf0.5}n (4 were determined. The grid networks were held together by C–H···O and C–H···F hydrogen bonds via the NO3− anions and the tetrafluorophenylene rings of bpf, respectively. Biphenyl, m-dimethoxybenzene, t-butylbenzene, and bpf molecules were clathrated in cyclic cavities of the grid networks through arene-perfluoroarene interactions. These coordination networks have remarkable clathration ability for aromatic compounds.

Synthesis and Characterization of Tetrakis-aqua-bis-isonicotin-amide(itmd)nickel(II) Sulfate

Science.gov (United States)

Rahardjo, S. B.; Hastuti, S.; Amanati, N.; Syaima, H.

2018-03-01

The complex of Tetrakis-aqua-bis-(isonicotinamide)nickel(II) sulfate has been synthesized in 1:2 mole ratio of metal to ligands in methanol. The formula of the complex predicted from analysis nickel content in the complex by Atomic Absorption Spectroscopy (AAS) was Ni(itmd)2SO4(H2O)4. The conductivity of the complex in methanol was measured by conductivity meter correspond to 1:1 electrolyte. Thermal analysis of the complex was determined by Differential Thermal Analyzer (DTA) indicating that the complex contains four H2O molecules as ligands. The magnetic susceptibility measurement showed that the complex was paramagnetic with μeff = 3.02 BM. The electronic spectra of the complex appear due to two transition peak on λ = 398 nm and 664 nm. The Infrared spectra showed a shift of NH2 stretching vibration of Ni(itmd)2SO4(H2O)4. These facts indicated that these functional groups were coordinated to the center ion of the complexes. The proposed structure of the complex was octahedral therefore the possibility formula of this complex was [Ni(itmd)2(H2O)4]SO4.

Regulatory behavior and frontal activity: Considering the role of revised-BIS in relative right frontal asymmetry.

Science.gov (United States)

Gable, Philip A; Neal, Lauren B; Threadgill, A Hunter

2018-01-01

Essential to human behavior are three core personality systems: approach, avoidance, and a regulatory system governing the two motivational systems. Decades of research has linked approach motivation with greater relative left frontal-cortical asymmetry. Other research has linked avoidance motivation with greater relative right frontal-cortical asymmetry. However, past work linking withdrawal motivation with greater relative right frontal asymmetry has been mixed. The current article reviews evidence suggesting that activation of the regulatory system (revised Behavioral Inhibition System [r-BIS]) may be more strongly related to greater relative right frontal asymmetry than withdrawal motivation. Specifically, research suggests that greater activation of the r-BIS is associated with greater relative right frontal activity, and reduced r-BIS activation is associated with reduced right frontal activity (greater relative left frontal activity). We review evidence examining trait and state frontal activity using EEG, source localization, lesion studies, neuronal stimulation, and fMRI supporting the idea that r-BIS may be the core personality system related to greater relative right frontal activity. In addition, the current review seeks to disentangle avoidance motivation and r-BIS as substrates of relative right frontal asymmetry. © 2017 Society for Psychophysiological Research.

Preparation of some complexes of Th(IV) and U(IV) with tetradentate Schiff bases. The crystal structure of bis(N,N'-ethylenebis(3-methoxysalicylaldiminato)) thorium(IV) monopyridine

Energy Technology Data Exchange (ETDEWEB)

Hill, R J; Rickard, C E.F.; White, H E [Auckland Univ. (New Zealand). Dept. of Chemistry

1981-01-01

Complexes of Th(IV) and U(IV) with tetradentate Schiff bases derived from substituted salicylaldehydes have been prepared and characterised. The structure of bis(N,N'-ethylenebis(3-methoxysalicylaldiminato)) Th(IV) monopyridine has been determined by X-ray crystallographic methods. The crystals are triclinic, a = 13.468, b = 9.932, c = 16.552 A, ..cap alpha.. = 91.74, ..beta.. = 94.69, ..gamma.. = 93.03/sup 0/, space group P/sub 1//sup -/. The molecules are eight coordinate with a slightly distorted dodecahedral geometry with the imine nitrogen atoms in the dodecahedral A sites. The pyridine molecule is uncoordinated and functions in a space-filling role.

7α-alkylation and 7,7-bis-alkylation of 20-hydroxyecdysone with propargyl bromide in a lithium-ammonia solution and catalytic reductive spirocyclization of 7,7-bis(2-propyn-1-yl)-14-deoxy-Δ(8(14))-20-hydroxyecdysone.

Science.gov (United States)

Galyautdinov, Ilgiz V; Khairullina, Zarema R; Sametov, Valery P; Muslimov, Zabir S; Khalilov, Leonard M; Odinokov, Victor N

2016-03-01

7α-Alkylation and 7,7-bis-alkylation of 20-hydroxyecdysone with propargyl bromide in a lithium-ammonia solution resulted in the formation of 7α-(2-propyn-1-yl)- and 7,7-bis(2-propyn-1-yl)-14-deoxy-Δ(8(14))-20-hydroxyecdysone in 92% and 75% yield respectively. Upon catalytic hydrogenation (10% Pd-C) of 7,7-bis(2-propyn-1-yl) derivative spirocyclization occurs by geminal 2-propyn-1-yl groups. Copyright © 2016 Elsevier Inc. All rights reserved.

N-donor co-ligands driven two new Co(II)- coordination polymers with bi- and trinuclear units: Crystal structures, and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Zhou, Zhi-Hang [College of Materials and Chemical Engineering, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, Key Laboratory of Inorganic Non-metallic Crystalline and Energy Conversion Materials, China Three Gorges University, Yichang 443002 (China); Han, Min-Le [College of Chemistry and Chemical Engineering, Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471022 (China); Wu, Ya-Pan; Dong, Wen-Wen [College of Materials and Chemical Engineering, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, Key Laboratory of Inorganic Non-metallic Crystalline and Energy Conversion Materials, China Three Gorges University, Yichang 443002 (China); Li, Dong-Sheng, E-mail: lidongsheng1@126.com [College of Materials and Chemical Engineering, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, Key Laboratory of Inorganic Non-metallic Crystalline and Energy Conversion Materials, China Three Gorges University, Yichang 443002 (China); Lu, Jack Y., E-mail: lu@uhcl.edu [Department of Chemistry, University of Houstons-Clear Lake, Houston, TX 77058 (United States)

2016-10-15

Two new Co(II) coordination polymers(CPs), namely [Co{sub 2}(bpe){sub 2}(Hbppc)]{sub n} (1) and [Co{sub 3}(μ{sub 3}-OH)(bppc)(bpm)(H{sub 2}O)]·3H{sub 2}O (2) (H{sub 5}bppc=biphenyl-2,4,6,3′,5′-pentacarboxylic acid, bpe=1,2-bis(4-pyridyl)ethene, bpm=bis(4-pyridyl)amine), have been obtained and characterized by elemental analysis, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), IR spectra and thermogravimetric analysis (TGA). 1 shows a binodal (4,6)-connected fsc net with a (4{sup 4}·6{sup 10}·8)(4{sup 4}·6{sup 2}) topology, while 2 shows a binodal (5,7)-connected 3D network based on trinuclear [Co{sub 3}(μ{sub 3}-OH)]{sup 5+} units with unusual (3.4{sup 6}.5{sup 2}.6)(3{sup 2}.4{sup 6}.5{sup 7}.6{sup 5}.7) topology. Variable-temperature magnetic susceptibility measurements reveals that complex 1 shows ferromagnetic interactions between the adjacent Co(II) ions, whereas 2 is a antiferromagnetic system. - Graphical abstract: Two new Co(II) coordination polymers with bi- and trinuclear units have been obtained. 1 shows a binodal (4,6)-connected fsc net with a (4{sup 4}·6{sup 10}·8)(4{sup 4}·6{sup 2}) topology and antiferromagnetic interactions between the adjacent Co(II) ions, while 2 is a binodal (5,7)-connected 3D network with unusual (3.4{sup 6}.5{sup 2}.6)(3{sup 2}.4{sup 6}.5{sup 7}.6{sup 5}.7) topology and a ferromagnetic system. - Highlights: • Two Co(II) coordination polymers with different multimetallic clusters as building units. • A (4,6)-connected fsc net and a (5,7)-connected 3D network. • A antiferromagnetic coupling for 1 and A ferromagnetic coupling for 2.

E/Z-Photoisomerization of N,N'-Bis(4-dimethylaminobenzylidene1,2-diaminoethane and N,N'-Bis(4-dimethylaminobenzylidene1,3-diaminopropane in Chloroform

Directory of Open Access Journals (Sweden)

Asghar Samimi

2011-01-01

Full Text Available The E/Z-Photoisomerization of Schiff bases N,N'-bis(4-dimethylamino benzylidene1,2-diaminoethane (BDAE and N,N'-bis(4-dimethylaminobenzyli-dene1,3-diaminopropane (BDAP were studied by UV-Vis absorption spectroscopy and theoretical chemistry calculations. Photochemical investigations in solution depict the time resolved spectral changes, recorded before and after irradiation. The shift indicates the transformation from E to Z configuration of the C=N bond in solution for BDAE and BDAP. Spectra profiles and kinetic constants were evaluated using multivariate curve resolution and non-linear least squares curve fitting by toolbox of MATLAB program using the corresponding absorption spectra-time data. The experimental results show that BDAP can perform the photochromism easier than BDAE, may be due to the molecular topology difference.

Physiological effects in bovine lymphocytes of inhibiting polyamine synthesis with ethylglyoxal bis(guanylhydrazone).

Science.gov (United States)

Igarashi, K; Morris, D R

1984-11-01

Previous results have suggested that ethylglyoxal bis(guanylhydrazone) is a more specific inhibitor of polyamine biosynthesis than the widely used methylglyoxal bis(guanylhydrazone). The physiological effects on mitogenically activated lymphocytes of polyamine depletion with ethylglyoxal bis(guanylhydrazone) were examined. In the presence of ethylglyoxal bis(guanylhydrazone) and the ornithine decarboxylase inhibitor alpha-difluoromethylornithine, the cellular contents of putrescine, spermidine, and spermine were decreased by 75 to 90, 65 to 80, and 40 to 60%, respectively, compared with control cultures. Inhibition of DNA synthesis in these polyamine-deficient cells was always greater than that of protein synthesis. Upon addition of spermidine to the deficient cells, the cellular spermidine content was restored within 4 hr, but the complete recovery of macromolecular synthesis took 10 to 20 hr. Thymidine kinase and DNA polymerase alpha activities in polyamine-deficient cells were lower than those in normal cells, whereas RNA polymerase II and leucyl transfer RNA synthase activities were nearly equal to those in normal cells. These results and studies with 2-dimensional gel electrophoresis raise the possibility that polyamines may regulate the synthesis of specific proteins. Decreased synthesis of replication proteins in polyamine-deficient cells may be one reason for the reduced synthesis of DNA.

Species dependence of [64Cu]Cu-Bis(thiosemicarbazone) radiopharmaceutical binding to serum albumins

International Nuclear Information System (INIS)

Basken, Nathan E.; Mathias, Carla J.; Lipka, Alexander E.; Green, Mark A.

2008-01-01

Introduction: Interactions of three copper(II) bis(thiosemicarbazone) positron emission tomography radiopharmaceuticals with human serum albumin, and the serum albumins of four additional mammalian species, were evaluated. Methods: 64 Cu-labeled diacetyl bis(N 4 -methylthiosemicarbazonato)copper(II) (Cu-ATSM), pyruvaldehyde bis(N 4 -methylthiosemicarbazonato)copper(II) (Cu-PTSM) and ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) were synthesized and their binding to human, canine, rat, baboon and porcine serum albumins quantified by ultrafiltration. Protein binding was also measured for each tracer in human, porcine, rat and mouse serum. Results: The interaction of these neutral, lipophilic copper chelates with serum albumin is highly compound- and species-dependent. Cu-PTSM and Cu-ATSM exhibit particularly high affinity for human serum albumin (HSA), while the albumin binding of Cu-ETS is relatively insensitive to species. At HSA concentrations of 40 mg/ml, '% free' (non-albumin-bound) levels of radiopharmaceutical were 4.0±0.1%, 5.3±0.2% and 38.6±0.8% for Cu-PTSM, Cu-ATSM and Cu-ETS, respectively. Conclusions: Species-dependent variations in radiopharmaceutical binding to serum albumin may need to be considered when using animal models to predict the distribution and kinetics of these compounds in humans

Porphyrin amino acids-amide coupling, redox and photophysical properties of bis(porphyrin) amides.

Science.gov (United States)

Melomedov, Jascha; Wünsche von Leupoldt, Anica; Meister, Michael; Laquai, Frédéric; Heinze, Katja

2013-07-14

New trans-AB2C meso-substituted porphyrin amino acid esters with meso-substituents of tunable electron withdrawing power (B = mesityl, 4-C6H4F, 4-C6H4CF3, C6F5) were prepared as free amines 3a-3d, as N-acetylated derivatives Ac-3a-Ac-3d and corresponding zinc(II) complexes Zn-Ac-3a-Zn-Ac-3d. Several amide-linked bis(porphyrins) with a tunable electron density at each porphyrin site were obtained from the amino porphyrin precursors by condensation reactions (4a-4d) and mono- and bis(zinc(II)) complexes Zn(2)-4d and Zn(1)Zn(2)-4d were prepared. The electronic interaction between individual porphyrin units in bis(porphyrins) 4 is probed by electrochemical experiments (CV, EPR), electronic absorption spectroscopy, steady-state and time-resolved fluorescence spectroscopy in combination with DFT/PCM calculations on diamagnetic neutral bis(porphyrins) 4 and on respective charged mixed-valent radicals 4(+/-). The interaction via the -C6H4-NHCO-C6H4- bridge, the site of oxidation and reduction and the lowest excited singlet state S1, is tuned by the substituents on the individual porphyrins and the metalation state.

Electronic states of 1,4-bis(phenylethynyl)benzene

DEFF Research Database (Denmark)

Nguyen, Duy Duc; Jones, Nykola; Hoffmann, Søren Vrønning

2012-01-01

The electronic transitions of 1,4-bis(phenylethynyl)benzene (BPEB) were investigated by UV synchrotron radiation linear dichroism (SRLD) spectroscopy in the range 25,000 – 58,000 cm–1 (400 – 170 nm) on molecular samples aligned in stretched polyethylene. The investigation was supported by variable...

A bis(3-hydroxy-4-pyridinone)-EDTA derivative as a strong chelator for M3+ hard metal ions: complexation ability and selectivity.

Science.gov (United States)

Gama, Sofia; Dron, Paul; Chaves, Silvia; Farkas, Etelka; Santos, M Amélia

2009-08-21

The study of chelating compounds is very important to solve problems related to human metal overload. 3-Hydroxy-3-pyridinones (HP), namely deferiprone, have been clinically used for chelating therapy of Fe and Al over the last decade. A multi-disciplinary search for alternative molecules led us to develop poly-(3-hydroxy-4-pyridinones) to increase metal chelation efficacy. We present herein a complexation study of a new bis-(3-hydroxy-4-pyridinone)-EDTA derivative with a set of M(3+) hard metal ions (M = Fe, Al, Ga), as well as Zn(2+), a biologically relevant metal ion. Thus a systematic aqueous solution equilibrium study was performed using potentiometric and spectroscopic techniques (UV-Vis, NMR methods). These set of results enables the establishment of specific models as well as the determination of thermodynamic stability constants and coordination modes of the metal complexes. The results indicate that this ligand has a higher affinity for chelating to these hard metal ions than deferiprone, and that the coordination occurs mostly through the HP moieties. Furthermore, it was also found that this ligand has a higher selectivity for chelating to M(3+) hard metal ions (M = Fe, Al, Ga) than Zn(2+).

Hydrothermal synthesis, crystal structures, and enantioselective adsorption property of bis(L-histidinato)nickel(II) monohydrate

Science.gov (United States)

Ramos, Christian Paul L.; Conato, Marlon T.

2018-05-01

Despite the numerous researches in metal-organic frameworks (MOFs), there are only few reports on biologically important amino acids, histidine in particular, on its use as bridging ligand in the construction of open-framework architectures. In this work, hydrothermal synthesis was used to prepare a compound based on Ni2+ and histidine. The coordination assembly of imidazole side chain of histidine with divalent nickel ions in aqueous condition yielded purple prismatic solids. Single crystal X-ray diffraction (XRD) analysis of the product revealed structure for Ni(C6H8N3O2)2 • H2O that has a monoclinic (C2) structure with lattice parameters, a = 29.41, b = 8.27, c = 6.31 Å, β = 90.01 ˚. Circular dichroism - optical rotatory dispersion (CD-ORD), Powder X-ray diffraction (PXRD) and Fourier transform - infrared spectroscopy (FT-IR) analyses are conducted to further characterize the crystals. Enantioselective adsorption analysis using racemic mixture of 2-butanol confirmed bis(L-histidinato)nickel(II) monohydrate MOF crystal's enantioselective property preferentially favoring the adsorption of (S)-2-butanol isomer.

Faszinierende Physik ein bebilderter Streifzug vom Universum bis in die Welt der Elementarteilchen

CERN Document Server

Bahr, Benjamin; Riebe, Kristin

2013-01-01

Von den Rätseln der Quantenwelt bis zum Polarlicht - von Schwarzen Löchern bis zum GPS-System -von Teilchenbeschleunigern, dem Higgs und der Supersymmetrie bis zum Foucaultschen Pendel – dieses Buch bietet einen packenden Streifzug durch die spannendsten und aktuellsten Themen der modernen Physik! Auf jeweils einer Doppelseite wird dem Leser dabei mit vielen Bildern ein kompakter und klar verständlicher Einstieg in jeweils ein Thema und den Stand der Forschung geboten – und so insgesamt etwa 140 verschiedene Themen beleuchtet und jedes treffend erläutert. Dabei liegt die besondere Stärke des Buches in der klaren Sprache und den Erklärungen, die nahezu ganz ohne Formeln auskommen – begleitet von atemberaubenden und weltweit eingeholten Bildern renommierter Forscher und Institute, die uns die Schönheit unserer Welt vor Augen führen.

Isolation and Characterization of Bis (2 – Methoxyethyl) Phthalate ...

African Journals Online (AJOL)

Isolation and Characterization of Bis (2 – Methoxyethyl) Phthalate and Hexashydro-1 3 – Dimethyl – 4 – Phenyl – 1h – Azepine 4 – Carboxylic Acid from the Root of Cissampelos Owariensis (P. Beauv)

Polyamine metabolism in the kidneys of castrated and testosterone-treated mice after administration of methylglyoxal bis(guanylhydrazone).

Science.gov (United States)

Henningsson, S; Persson, L; Rosengren, E

1979-02-01

The effects of methylglyoxal bis(guanylhydrazone) on S-adenosyl-L-methionine decarboxylase (EC 4.1.1.50) activity were studied in the mouse kidney stimulated to growth by testosterone administration. The drug was found a potent inhibitor of the enzyme in vitrol Administration of methylglyoxal bis(guanylhydrazone) in vivo resulted in a transient inhibition followed by a strong enhancement of the enzyme activity. Dialysis of the kidney extract, to remove remaining methylglyoxal bis(guanylhydrazone), revealed a great and rapid increase in the activity of S-adenosyl-L-methionine decarboxylase. Injections of testosterone to castrated mice resulted in a marked increase in kidney weight and an accumulation of renal putrescine, spermidine and spermine. These effects of testosterone could not be blocked by simultaneous injections of methylglyoxal bis(guanylhydrazone). It appears that due to secondary effects by which the inhibition of methylglyoxal bis(guanylhydrazone) on S-adenosyl-L-methionine decarboxylase activity is circumvented the inhibitor seems to be of uncertain value in attempts to decrease selectively the in vivo levels of polyamines.

Effect of Annealing Temperature on Flowerlike Cu3BiS3 Thin Films Grown by Chemical Bath Deposition

Science.gov (United States)

Deshmukh, S. G.; Patel, S. J.; Patel, K. K.; Panchal, A. K.; Kheraj, Vipul

2017-10-01

For widespread application of thin-film photovoltaic solar cells, synthesis of inexpensive absorber material is essential. In this work, deposition of ternary Cu3BiS3 absorber material, which contains abundant and environmentally benign elements, was carried out on glass substrate. Flowerlike Cu3BiS3 thin films with nanoflakes as building block were formed on glass substrate by chemical bath deposition. These films were annealed at 573 K and 673 K in sulfur ambient for structural improvement. Their structure was characterized using Raman spectroscopy, as well as their surface morphological and optical properties. The x-ray diffraction profile of as-deposited Cu3BiS3 thin film revealed amorphous structure, which transformed to orthorhombic phase after annealing. The Raman spectrum exhibited a characteristic peak at 290 cm-1. Scanning electron microscopy of as-deposited Cu3BiS3 film confirmed formation of nanoflowers with diameter of around 1052 nm. Wettability testing of as-deposited Cu3BiS3 thin film demonstrated hydrophobic nature, which became hydrophilic after annealing. The measured ultraviolet-visible (UV-Vis) absorption spectra of the Cu3BiS3 thin films gave an absorption coefficient of 105 cm-1 and direct optical bandgap of about 1.42 eV after annealing treatment. Based on all these results, such Cu3BiS3 material may have potential applications in the photovoltaic field as an absorber layer.

Well-Defined Silica Grafted Molybdenum Bis(imido) Catalysts for Imine Metathesis Reactions

KAUST Repository

Barman, Samir

2017-04-06

Novel site-isolated tetracoordinated molybdenum complexes possessing bis(imido) ligands, [(≡Si–O)2Mo(═NR)2] (R = t-Bu, 2,6-C6H3-i-Pr2), were immobilized on partially dehydroxylated silica (SiO2-200) by a rigorous surface organometallic chemistry protocol. The newly developed materials adorned with bis(imido) functional units, which were previously exploited mainly as spectator ligands on silica-supported olefin metathesis molybdenum catalysts, are found to be efficient heterogeneous catalytic systems for imine cross metathesis under mild conditions.

Well-Defined Silica Grafted Molybdenum Bis(imido) Catalysts for Imine Metathesis Reactions

KAUST Repository

Barman, Samir; Merle, Nicolas; Minenkov, Yury; De Mallmann, Aimery; Samantaray, Manoja; Le Qué mé ner, Fré dé ric; Szeto, Kai C.; Abou-Hamad, Edy; Cavallo, Luigi; Taoufik, Mostafa; Basset, Jean-Marie

2017-01-01

Novel site-isolated tetracoordinated molybdenum complexes possessing bis(imido) ligands, [(≡Si–O)2Mo(═NR)2] (R = t-Bu, 2,6-C6H3-i-Pr2), were immobilized on partially dehydroxylated silica (SiO2-200) by a rigorous surface organometallic chemistry protocol. The newly developed materials adorned with bis(imido) functional units, which were previously exploited mainly as spectator ligands on silica-supported olefin metathesis molybdenum catalysts, are found to be efficient heterogeneous catalytic systems for imine cross metathesis under mild conditions.

Immunomodulatory effects of intravenous bis-1 f(ab')(2) administration in renal-cell cancer-patients

NARCIS (Netherlands)

Janssen, R. A. J.; Kroesen, B. J.; Mesander, G.; Sleijfer, D. T.; The, T. Hauw; Mulder, N. H.; de Leij, L

We report the immunomodulatory effects of an intravenous treatment with F(ab')(2) fragments of the bispecific monoclonal antibody BIS-1 during subcutaneous recombinant interleukin 2 (rIL-2) therapy of renal cell cancer (RCC) patients. BIS-1 is directed against both the CD3 antigen on T cells and the

A novel fluorescent probe (dtpa-bis(cytosine)) for detection of Eu(III) in rare earth metal ions

Science.gov (United States)

Yang, Fan; Ren, Peipei; Liu, Guanhong; Song, Youtao; Bu, Naishun; Wang, Jun

2018-03-01

In this paper, a novel fluorescent probe, dtpa-bis(cytosine), was designed and synthesized for detecting europium (Eu3 +) ion. Upon addition of Eu3 + ions into the dtpa-bis(cytosine) solution, the fluorescence intensity can strongly be enhanced. Conversely, adding other rare earth metal ions, such as Y3 +, Ce3 +, Pr3 +, Nd3 +, Sm3 +, Gd3 +, Tb3 +, Dy3 +, Ho3 +, Er3 +, Yb3 + and Lu3 +, into dtpa-bis(cytosine) solution, the fluorescence intensity is decreased slightly. Some parameters affecting the fluorescence intensity of dtpa-bis(cytosine) solution in the presence of Eu3 + ions were investigated, including solution pH value, Eu3 + ion concentration and interfering substances. The detection mechanism of Eu3 + ion using dtpa-bis(cytosine) as fluorescent probe was proposed. Under optimum conditions, the fluorescence emission intensities of EuIII-dtpa-bis(cytosine) at 375 nm in the concentration range of 0.50 × 10- 5 mol • L- 1-5.00 × 10- 5 mol • L- 1 of Eu3 + ion display a better linear relationship. The limit of detection (LOD) was determined as 8.65 × 10- 7 mol • L- 1 and the corresponding correlation coefficient (R2) of the linear equation is 0.9807. It is wished that the proposed method could be applied for sensitively and selectively detecting Eu3 + ion.

Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane.

Science.gov (United States)

Katzsch, Felix; Gruber, Tobias; Weber, Edwin

2016-09-01

The syntheses of three bis(benzo[b]thiophen-2-yl)methane derivatives, namely bis(benzo[b]thiophen-2-yl)methanone, C17H10OS2, (I), 1,1-bis(benzo[b]thiophen-2-yl)-3-(trimethylsilyl)prop-2-yn-1-ol, C22H20OS2Si, (II), and 1,1-bis(benzo[b]thiophen-2-yl)prop-2-yn-1-ol, C19H12OS2, (III), are described and their crystal structures discussed comparatively. The conformation of ketone (I) and the respective analogues are rather similar for most of the compounds compared. This is true for the interplanar angles, the Caryl-Cbridge-Caryl angles and the dihedral angles. The best resemblance is found for a bioisotere of (I), viz. 2,2'-dinaphthyl ketone, (VII). By way of interest, the crystal packings also reveal similarities between (I) and (VII). In (I), the edge-to-face interactions seen between two napthyl residues in (VII) are substituted by S...π contacts between the benzo[b]thiophen-2-yl units in (I). In the structures of the bis(benzo[b]thiophen-2-yl)methanols, i.e. (II) and (III), the interplanar angles are also quite similar compared with analogues and related active pharmaceutical ingredients (APIs) containing the dithiophen-2-ylmethane scaffold, though the dihedral angles show a larger variability and produce unsymmetrical molecules.

Synthesis, spectral and structural properties of bis-imidazoline selones

Indian Academy of Sciences (India)

The solid state structures of bis-imidazoline selones were ... two biologically active selones are expected to function. ∗ .... The organic extract was washed with brine solution .... mentioned CH2 carbon and the quaternary carbon of benzene ...

A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing

International Nuclear Information System (INIS)

Wang, Jun; Bai, Chao; Hu, Huai-Ming; Yuan, Fei; Xue, Gang-Lin

2017-01-01

Eight Zn(II)-based coordination polymers, namely, [Zn 2 L 2 (2,2’-bipy)] n ·nH 2 O (1), [Zn 2 L 2 (phen)] n ·nH 2 O (2), [ZnL(phen)(H 2 O)] n (3), [Zn 3 L 3 (4,4’-bipy)] n (4), [Zn 2 L 2 (4,4’-bipy) 2 ] n [Zn 2 L 2 (H 2 O) 2 ] n ·2nH 2 O (5), [Zn 4 L 4 (bpp) 2 ] n (6), [ZnL(bbi) 0.5 ] n (7), [ZnL(bpz)] n (8) (H 2 L=4,4’-([1,2-phenylenebis-(methylene)]bis(oxy))dibenzoic acid, 2,2’-bipy =2,2’-bipyridine, phen =1,10-phenanthroline, 4,4’-bpy=4,4’-bipyridine, bpp =1,3-bis(4-pyridyl)propane, bbi=1,4-bis(imidazol-1-yl)butane, bpz=3,3′,5,5′-tetramethyl-4,4′-bipyrazole), have been hydrothermally synthesized and structurally characterized. 1–8 display various coordination motifs with different entangled forms and conformations due to the effect of the assistant N-donor ligands. The photoluminescent properties of compounds 1–8 in solid state were studied. Interestingly, 3 exhibits highly efficient luminescent sensing for Cu 2+ cations and CrO 4 2- anions, as well as detection ability for the different organic solvents and nitro explosives. These results indicated that it could be utilized as a multi-responsive luminescent sensor. Furthermore, compound 3 also shows good chemical resistance to both acidity and alkalinity solutions with pH ranging from 2 to 13. Thus, multi-photofunctionality and fluorescent response to pH have been combined in the 3, which is the first example in the Zn-based hybrid materials. - Graphical abstract: Eight new Zn(II)-based coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and different N-donor ligands have been hydrothermally synthesized through fixing the metal salts and the solvent systems. The photoluminescent properties of complexes 1−8 in solid state were studied. Interestingly, 3 exhibits highly efficient luminescent sensing for Cu 2+ cations and CrO 4 2- anions, as well as detection ability for the different organic solvents and nitro explosives, in which indicates it could be

Amino Acids Sequence Based in Silico Analysis of RuBisCO (Ribulose-1,5 Bisphosphate Carboxylase Oxygenase Proteins in Some Carthamus L. ssp.

Directory of Open Access Journals (Sweden)

Emre SEVİNDİK

2017-06-01

Full Text Available RuBisCO is an important enzyme for plants to photosynthesize and balance carbon dioxide in the atmosphere. This study aimed to perform sequence, physicochemical, phylogenetic and 3D (three-dimensional comparative analyses of RuBisCO proteins in the Carthamus ssp. using various bioinformatics tools. The sequence lengths of the RuBisCO proteins were between 166 and 477 amino acids, with an average length of 411.8 amino acids. Their molecular weights (Mw ranged from 18711.47 to 52843.09 Da; the most acidic and basic protein sequences were detected in C. tinctorius (pI = 5.99 and in C. tenuis (pI = 6.92, respectively. The extinction coefficients of RuBisCO proteins at 280 nm ranged from 17,670 to 69,830 M-1 cm-1, the instability index (II values for RuBisCO proteins ranged from 33.31 to 39.39, while the GRAVY values of RuBisCO proteins ranged from -0.313 to -0.250. The most abundant amino acid in the RuBisCO protein was Gly (9.7%, while the least amino acid ratio was Trp (1.6 %. The putative phosphorylation sites of RuBisCO proteins were determined by NetPhos 2.0. Phylogenetic analysis revealed that RuBisCO proteins formed two main clades. A RAMPAGE analysis revealed that 96.3%-97.6% of residues were located in the favoured region of RuBisCO proteins. To predict the three dimensional (3D structure of the RuBisCO proteins PyMOL was used. The results of the current study provide insights into fundamental characteristic of RuBisCO proteins in Carthamus ssp.

Biochemical and chemical characterization of trifluoromethylglyoxal bis(guanylhydrazone), a close analog of the antileukemic drug mitoguazone.

Science.gov (United States)

Elo, H; Mutikainen, I

1988-01-01

In order to study the structure-activity relationships of bis(guanylhydrazone) type polyamine antimetabolites, trifluoromethylglyoxal bis(guanylhydrazone) (CF3-GBG), a close analog of the antileukemic drug methylglyoxal bis(guanylhydrazone) (mitoguazone, MGBG) was synthesized according to a novel modification of previous methods, yielding single crystals. Single-crystal X-ray crystallography revealed the presence of an isomer different from the one detected in the case of MGBG and all other bis(guanylhydrazones) so far studied. In contrast to MGBG, CF3-GBG was shown to be a very weak inhibitor of yeast adenosylmethionine decarboxylase, being thus devoid of value as a polyamine antimetabolite. In addition, the compound did not have antiproliferative activity against mouse L1210 leukemia cells in vitro. As long as analogous isomers of the two compounds are not available, no conclusions can be drawn about the reasons lying behind the drastical differences between their biological properties.

Synthesis and applications of gem-bis-phosphonates, powerful complexing agents of metals

International Nuclear Information System (INIS)

Lecercle, D.

2007-12-01

This thesis was devoted to the development of new ways to prepare gem-bis-phosphonates compounds (BPs), and was carried out under the Program of Nuclear and Environmental Toxicology (ToxNuc-E). Two applications of these compounds have been investigated, the preparation of potent ligands of the uranyl ion for a target of decorporation, and the preparation of new anticancer compounds. The first of these applications was the consequence of work done in the laboratory, that have shown the strong uranium-binding properties of bis-phosphonic ligands. The in vivo tests performed on these compounds have shown the tendency of these ligands to cause liver accumulation of uranium, we wanted to address this problem by modifying the method of anchoring of the bis-phosphonates functions. To this end we have developed a new way to access to these compounds using a metal-carbenoid mediated poly-ols and poly-amines insertion, the metal-carbenoid species bearing the bis-phosphonate function. Regarding the preparation of BPs as anticancer agents, we have developed a new synthetic pathway using a phosphine catalyzed α-P addition of phosphorated pro-nucleophiles to alkynyl-phosphonates as a key step. This enabled us to prepare thirty compound whose activity was evaluated on two cell lines (A431 and HuH7). Five of these compounds possess an activity equivalent to that of the compound described as the most active, the Zoledronate. (author)

Copper(II)-bis(thiosemicarbazonato) complexes as anti-chlamydial agents.

Science.gov (United States)

Marsh, James W; Djoko, Karrera Y; McEwan, Alastair G; Huston, Wilhelmina M

2017-09-29

Lipophilic copper (Cu)-containing complexes have shown promising antibacterial activity against a range of bacterial pathogens. To examine the susceptibility of the intracellular human pathogen Chlamydia trachomatis to copper complexes containing bis(thiosemicarbazone) ligands [Cu(btsc)], we tested the in vitro effect of CuII-diacetyl- and CuII-glyoxal-bis[N(4)-methylthiosemicarbazonato] (Cu(atsm) and Cu(gtsm), respectively) on C. trachomatis. Cu(atsm) and to a greater extent, Cu(gtsm), prevented the formation of infectious chlamydial progeny. Impacts on host cell viability and respiration were also observed in addition to the Chlamydia impacts. This work suggests that copper-based complexes may represent a new lead approach for future development of new therapeutics against chlamydial infections, although host cell impacts need to be fully explored. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Energetic co-ordination compounds: synthesis, characterization and thermolysis studies on bis-(5-nitro-2H-tetrazolato-N2)tetraammine cobalt(III) perchlorate (BNCP) and its new transition metal (Ni/Cu/Zn) perchlorate analogues

International Nuclear Information System (INIS)

Talawar, M.B.; Agrawal, A.P.; Asthana, S.N.

2005-01-01

Bis-(5-nitro-2H-tetrazolato-N 2 )tetraammine[cobalt(III)/nickel(III)] perchlorates (BNCP/BNNP) and mono-(5-nitro-H-tetrazolato-N)triammine [copper(II)/zinc(II)] perchlorates (MNCuP/MNZnP) have been synthesized during this work. The synthesis was carried out by addition of carbonato tetraammine metal [Co/Ni/Cu/Zn] nitrate [CTCN/CTNN/CTCuN/CTZnN] to the aqueous solution of sodium salt of 5-nitrotetrazole followed by reaction with perchloric acid. The precursors were synthesized by the reaction of aqueous solution of their respective nitrates with ammonium carbonate at 70 deg. C. The complexes and their precursors were characterized by determining metal and perchlorate content as well as infrared (IR), electron spectra for chemical analysis (ESCA) and X-ray diffraction (XRD) techniques. The TG profiles indicated that BNCP, BNNP and MNCuP are thermally stable up to the temperature of 260-278 deg. C unlike MNZnP (150 deg. C). Sudden exothermic decomposition was observed in case of bis-(5-nitro-2H-tetrazolato-N 2 )tetraammine cobalt(III) perchlorate, bis-(5-nitro-2H-tetrazolato-N 2 )tetraammine nickel(III) perchlorate and mono-(5-nitro-H-tetrazolato-N)triammine zinc(II) perchlorate resulting in the severe damage of the sample cup. Sensitivity data indicated that the Co/Ni/Cu complexes are more friction sensitive (3-4.8 kg) than mono-(5-nitro-H-tetrazolato-N)triammine zinc(II) perchlorate (14 kg). The impact sensitivity results of the complexes corresponded to h 50% of 30-36 cm

High-energy coordination polymers (CPs) exhibiting good catalytic effect on the thermal decomposition of ammonium dinitramide

Science.gov (United States)

Li, Xin; Han, Jing; Zhang, Sheng; Zhai, Lianjie; Wang, Bozhou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli

2017-09-01

High-energy coordination polymers (CPs) not only exhibit good energetic performances but also have a good catalytic effect on the thermal decomposition of energetic materials. In this contribution, two high-energy CPs Cu2(DNBT)2(CH3OH)(H2O)3·3H2O (1) and [Cu3(DDT)2(H2O)2]n (2) (H2DNBT = 3,3‧-dinitro-5,5‧-bis(1H-1,2,4-triazole and H3DDT = 4,5-bis(1H-tetrazol-5-yl)-2H-1,2,3-triazole) were synthesized and structurally characterized. Furthermore, 1 was thermos-dehydrated to produce Cu2(DNBT)2(CH3OH)(H2O)3 (1a). The thermal decomposition kinetics of 1, 1a and 2 were studied by Kissinger's method and Ozawa's method. Thermal analyses and sensitivity tests show that all compounds exhibit high thermal stability and low sensitivity for external stimuli. Meanwhile, all compounds have large positive enthalpy of formation, which are calculated as being (1067.67 ± 2.62) kJ mol-1 (1), (1464.12 ± 3.12) kJ mol-1 (1a) and (3877.82 ± 2.75) kJ mol-1 (2), respectively. The catalytic effects of 1a and 2 on the thermal decomposition of ammonium dinitramide (ADN) were also investigated.

Synthesis of novel bis(perfluorophenyl azides) coupling agents: Evaluation of their performance by crosslinking of poly(ethylene oxide)

KAUST Repository

Mehenni, Hakim

2011-11-01

Novel bis(perfluorophenyl azides) coupling agents, containing spacer arms from ethylene or ethylene glycol subunits, were successfully synthesized. Nitrenes photogenerated from these novel bis(PFPA) coupling agents were applied successfully to the cross-linking of poly(ethylene oxide) (PEO10,000) in either aqueous medium or at the solid state, thus, we demonstrated the potential of these bis(PFPA) molecules as promising coupling agents in surface engineering. © 2011 Elsevier Ltd. All rights reserved.

Ne bis in idem põhimõte Eesti karistusõiguses : [bakalaureusetöö] / Natalja Mogiljova ; Tartu Ülikool, õigusteaduskond ; juhendaja: Elina Elkind

Index Scriptorium Estoniae

Mogiljova, Natalja

2009-01-01

Ne bis in idem põhimõtte olemusest ja ajaloolisest arengust, horisontaalsest riigisisesest ne bis in idem-ist, rahvusvahelistest konventsioonidest, EIÕK praktikast, Riigikohtu praktikast, ne bis in idem Ameerika Ühendriikide õiguskorras

Psychometric Properties of the BIS/BAS Scales and the SPSRQ in Flemish Adolescents

Directory of Open Access Journals (Sweden)

Laura Vandeweghe

2016-12-01

Full Text Available Objective: Gray’s Reinforcement Sensitivity Theory (RST is a frequently used model of personality that is relevant to the period of adolescence. However, the psychometric properties of the most frequently used questionnaires to measure the RST-constructs, namely the Behavioural Inhibition System and Behavioural Activation System Scales (BIS/BAS Scales and the Sensitivity to Punishment and Sensitivity to Reward Questionnaire (SPSRQ, are rarely examined in samples of adolescents. Therefore, the goal of the present study was to examine the two-factor structure, reliability and convergent validity of the BIS/BAS Scales and SPSRQ in a Flemish adolescent community sample.  Method: A sample of 579 adolescents (39.5% boys; 14–19 years was recruited. The proposed two-factor structure was assessed using Exploratory Structural Equation Modeling. Reliability was evaluated using internal consistency and construct validity was examined with the correlations between the two questionnaires and with the Temperament and Character Inventory–short form (TCI-SF.  Results: After the removal of problematic items, and the addition of correlated errors, all indices indicated a good fit for the two-factor structure of the modified BIS/BAS Scales. For the modified SPSRQ, three fit indices indicated a good model fit, while a fourth fit index was slightly below the cut-off score of an adequate model fit. Internal consistency of both questionnaires was sufficient. In general, the associations with scales of the TCI-SF were as expected, with positive correlations between BIS-related scales, and between BAS-related scales of all three instruments.  Discussion: In Flemish adolescents, the use of a two-factor model to analyze data gathered with the modified BIS/BAS Scales or modified SPSRQ seems appropriate.

New dual emission fluorescent sensor for pH and Pb(II) based on bis(napfthalimide) derivative

Energy Technology Data Exchange (ETDEWEB)

Pina-Luis, Georgina, E-mail: gpinaluis@yahoo.com [Centro de Graduados e Investigacion en Quimica, Instituto Tecnologico de Tijuana, AP 1166, Tijuana 22500, BC (Mexico); Martinez-Quiroz, Marisela; Ochoa-Teran, Adrian [Centro de Graduados e Investigacion en Quimica, Instituto Tecnologico de Tijuana, AP 1166, Tijuana 22500, BC (Mexico); Santacruz-Ortega, Hisila [Departamento de investigacion en Polimeros y Materiales, Universidad de Sonora, Hermosillo, Sonora 83000 (Mexico); Mendez-Valenzuela, Eduardo [Centro de Graduados e Investigacion en Quimica, Instituto Tecnologico de Tijuana, AP 1166, Tijuana 22500, BC (Mexico)

2013-02-15

This paper describes a novel dual emission bis-1,8-naphthalimide sensor for selective determination of pH and Pb{sup 2+} ions. The influence of the variability in the backbone that links the two fluorophores (naphthalimides) as a function of pH and metal ions was studied by UV-visible and fluorescence spectroscopy. Compounds 1(a-d) with different length alkyl linkers (CH{sub 2}){sub n} (n=1, 2, 4 and 6) showed no excimer formation in aqueous solution. Fluorescence emission of these derivatives varied in a narrow range of pH (5-8) and was only slightly influenced by the addition of metal ions in CH{sub 3}CN solutions. However, derivative 1e with amino-containing spacer (CH{sub 2}-NH-CH{sub 2}) showed excimer emission in aqueous solution, a wide response to pH (2.5-9.5) and fluorescence enhancement with selective behavior towards metal ions. The pH sensor based in derivative 1e has a sufficient selectivity for practical pH monitoring in the presence of Li{sup +}, Na{sup +}, K{sup +}, Cs{sup +}, Ca{sup 2+}, Mg{sup 2+}, Ba{sup 2+}, Cu{sup 2+}, Pb{sup 2+}, Ni{sup 2+}, Zn{sup 2+} and Cd{sup 2+}. The coordination chemistry of these complexes was studied by UV-Vis, fluorescence and {sup 1}H NMR. This chemosensor displayed high selectivity fluorescence enhancement toward Pb{sup 2+} ions in the presence of the metals ions mentioned in CH{sub 3}CN solutions. Competitive assays show that a 1-fold of metal cations in each case, compared with Pb{sup 2+} ions, results in less than {+-}5% fluorescence intensity changes. Linear calibration up to 1 Multiplication-Sign 10{sup -5} M for Pb(II) ions (R=0.9968) was obtained and detection limit resulted of 5.0 Multiplication-Sign 10{sup -8} M. - Highlights: Black-Right-Pointing-Pointer A novel dual emission bis-1,8-naphthalimide sensor for pH and Pb{sup 2+} ions is synthetized. Black-Right-Pointing-Pointer The excimer formation depends on the spacer that links the two naphthalimide groups. Black-Right-Pointing-Pointer Bis

BIS impulsivity and acute nicotine exposure are associated with discounting global consequences in the Harvard game.

Science.gov (United States)

Hogarth, Lee; Stillwell, David J; Tunney, Richard J

2013-01-01

The Barratt Impulsivity Scale (BIS) provides a transdiagnostic marker for a number of psychiatric conditions and drug abuse, but the precise psychological trait(s) tapped by this questionnaire remain obscure. To address this, 51 smokers completed in counterbalanced order the BIS, a delay discounting task and a Harvard game that measured choice between a response that yielded a high immediate monetary payoff but decreased opportunity to earn money overall (local choice) versus a response that yielded a lower immediate payoff but afforded a greater opportunity to earn overall (global choice). Individual level of BIS impulsivity and self-elected smoking prior to the study were independently associated with increased preference for the local over the global choice in the Harvard game, but not delay discounting. BIS impulsivity and acute nicotine exposure reflect a bias in the governance of choice by immediate reward contingencies over global consequences, consistent with contemporary dual-process instrumental learning theories. Copyright © 2013 John Wiley & Sons, Ltd.

177Lu-DTPA-BIS-BIOTIN Binding of Octreotide-dextran-avidinated PANC-1 Cell Lines in Vitro

International Nuclear Information System (INIS)

Deng Xinrong; Zhai Shizhen; Shen Yijia; Luo Zhifu; Du Jin

2011-01-01

Tyr3-octreotide, dextran-40 and avidin were used to prepare octreotide-dextran-avidin (TOC-Dx 40 -Av). DTPA-BIS-BIOTIN was labelled with 177 Lu. The in vitro somatostatin receptor binding study was carried out by pretargeted method using TOC-Dx 40 -Av and 177 Lu-DTPA-BIS-BIOTIN. The 24 well cell culture plates were prepared with PANC-1 cell monolayer and then incubated with TOC-Dx 40 -Av. After two washed with PBS, the cells were incubated with different concentration of 177 Lu-DTPA-BIS-BIOTIN (48.8 ∼ 391 pmol). Cells uptake was evaluated with γ counter. The results showed that the chemical purity of TOC-Dx 40 -Av was over 99%. The results also showed that TOC-Dx 40 -Av remained high receptor binding affinity to somatostatin receptor which indicated that TOC- Dx 40 -Av could bind to 177 Lu-DTPA-BIS-BIOTIN with the molar ratio of 1 : 1 on the cell surface. (authors)

Synthesis of novel bis(perfluorophenyl azides) coupling agents: Evaluation of their performance by crosslinking of poly(ethylene oxide)

KAUST Repository

Mehenni, Hakim; Bakr, Osman

2011-01-01

Novel bis(perfluorophenyl azides) coupling agents, containing spacer arms from ethylene or ethylene glycol subunits, were successfully synthesized. Nitrenes photogenerated from these novel bis(PFPA) coupling agents were applied successfully

Synthesis and DNA cleavage activity of Bis-3-chloropiperidines as alkylating agents.

Science.gov (United States)

Zuravka, Ivonne; Roesmann, Rolf; Sosic, Alice; Wende, Wolfgang; Pingoud, Alfred; Gatto, Barbara; Göttlich, Richard

2014-09-01

Nitrogen mustards are an important class of bifunctional alkylating agents routinely used in chemotherapy. They react with DNA as electrophiles through the formation of highly reactive aziridinium ion intermediates. The antibiotic 593A, with potential antitumor activity, can be considered a naturally occurring piperidine mustard containing a unique 3-chloropiperidine ring. However, the total synthesis of this antibiotic proved to be rather challenging. With the aim of designing simplified analogues of this natural product, we developed an efficient bidirectional synthetic route to bis-3-chloropiperidines joined by flexible, conformationally restricted, or rigid diamine linkers. The key step involves an iodide-catalyzed double cyclization of unsaturated bis-N-chloroamines to simultaneously generate both piperidine rings. Herein we describe the synthesis and subsequent evaluation of a series of novel nitrogen-bridged bis-3-chloropiperidines, enabling the study of the impact of the linker structure on DNA alkylation properties. Our studies reveal that the synthesized compounds possess DNA alkylating abilities and induce strand cleavage, with a strong preference for guanine residues. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aggregation-enhanced emission and piezochromic luminescence of 9,10-bis(p-dibutylaminostyryl)-2,6-bis(p-t-butylstyryl)anthracene

Energy Technology Data Exchange (ETDEWEB)

Sun, Mingxiao; Zhang, Deteng; Li, Yiping; Wang, Jianfeng; Gao, Yangyang; Yang, Wenjun, E-mail: ywjph2004@qust.edu.cn

2014-04-15

A cruciform 9,10-distyrylanthracene-containing luminogen, 9,10-bis(p-dibutylaminostyryl)-2,6-bis(p-t-butylstyryl)anthracene (DDC), has been synthesized and the optical properties investigated. The results show that DDC is an aggregation-induced enhanced emission (AIEE) and piezofluorochromic (PFC) dye. The fluorescence quantum yield in THF/water=1/9 (18.1%) is about 12-fold over that in THF (1.53%). PFC experiment shows that the fluorescence colors (emission spectra) of DDC solid change reversibly between orange-red (602 nm) and red (632 nm) emissions upon pressing and annealing. Wide-angle X-ray diffraction and differential scanning calorimetric analyses reveal that the grinding has induced the phase transition of DDC solid from pristine crystalline to ground amorphous states, and annealing could cause the re-crystallization of amorphized DDC solid. This transformation between crystalline and amorphous states is responsible for the reversible PFC behavior upon external stimuli. Highlights: • A two-dimensional cross-conjugated luminogen (DDC) was synthesized. • DDC exhibits aggregation-enhanced emission and piezofluorochromic behaviors. • DDC emits bluer light in the crystalline phase than in the amorphous phase. • The PFC mechanism is ascribed to grinding-induced amorphization.

Improvements/Experience derived from wiring 10% of BIS MDTs

CERN Document Server

Fassouliotis, D; Kourkoumelis, C; Pancheluga, V; Pappas, D P; Stefanidis, S; Birioukov, V

2001-01-01

This note describes the improvements performed to the University of Athens Muon Drift Tube assembly line. All implemented QA/QC tests are described. Experience and results of the performance are extracted from the assembly of more than 10% of the BIS tubes.

Combinatorial Libraries of Bis-Heterocyclic Compounds with Skeletal Diversity

OpenAIRE

Soural, Miroslav; Bouillon, Isabelle; Krchňák, Viktor

2008-01-01

Combinatorial solid-phase synthesis of bis-heterocyclic compounds, characterized by the presence of two heterocyclic cores connected by a spacer of variable length/structure, provided structurally heterogeneous libraries with skeletal diversity. Both heterocyclic rings were assembled on resin in a combinatorial fashion.

Synthesis, spectra and electrochemistry of dinitro-bis- {2-(phenylazo ...

Indian Academy of Sciences (India)

Unknown

2006-09-18

Sep 18, 2006 ... Synthesis, spectra and electrochemistry of dinitro-bis-. {2-(phenylazo)pyrimidine} ruthenium(II). Nitro–nitroso derivatives and reactivity of the electrophilic nitrosyl centre. PRITHWIRAJ BYABARTTA. Department of Chemistry, The University of Burdwan, Burdwan 713 104. Present address: Departmento de ...

Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands

Energy Technology Data Exchange (ETDEWEB)

Wang, Chao [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); Zhao, Jun, E-mail: junzhao08@126.com [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Xia, Liang [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China)

2016-06-15

Three new coordination polymers, namely, {[Ni(H_2L)(bix)(H_2O)_2]·2h_2O}{sub n} (1), {[Ni(HL)(Hdpa)(H_2O)_2]·H_2O}{sub n} (2), {[Ni(L)_0_._5(bpp)(H_2O)]·H_2O}{sub n} (3) (H{sub 4}L=terphenyl-2,2′,4,4′-tetracarboxylic acid; bix=1,4-bis(imidazol-1-ylmethyl)benzene; dpa =4,4′-dipyridylamine; bpp=1,3-bis(4-pyridyl)propane), based on rigid H{sub 4}L ligand and different N-donor co-ligands, have been synthesized under hydrothermal conditions. Compound 1 features a 3D 4-connected 6{sup 6}-dia-type framework with H{sub 4}L ligand adopts a μ{sub 2}-bridging mode with two symmetry-related carboxylate groups in μ{sub 1}-η{sup 1}:η{sup 0} monodentate mode. Compound 2 displays a 1D [Ni(HL)(Hdpa)]{sub n} ribbon chains motif, in which the H{sub 4}L ligand adopts a μ{sub 2}-bridging mode with two carboxylate groups in μ{sub 1}-η{sup 1}:η{sup 1} and μ{sub 1}-η{sup 1}:η{sup 0} monodentate modes, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology, with H{sub 4}L ligand displays a μ{sub 4}-bridging coordination mode. The H{sub 4}L ligand displays not only different deprotonated forms but also diverse coordination modes and conformations. The structural diversities among 1–3 have been carefully discussed, and the roles of N-donor co-ligands in the self-assembly of coordination polymers have been well documented. - Graphical abstract: Three nickel coordination polymers with different architectures based on mixed ligand system were synthesized and structurally characterized. Topology analyses indicate that 1 shows the 4-connected 6{sup 6}-dia net, 1D ribbon chains for 2 and 3D (4,4)-connected bbf network for 3. Display Omitted - Highlights: • Three Ni-based coordination polymers with distinct features have been prepared. • Compound 1 features a 3D 4-connected 66-dia-type framework, 2 displays a 1D [Ni(HL)(Hdpa)]{sub n} ribbon chains motif, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology. • The “mixed ligand assembled�

Stabilization of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine thin film morphology with UV light

Energy Technology Data Exchange (ETDEWEB)

Tomović, A.Ž.; Markešević, N. [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Scarpellini, M.; Bovio, S. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Lucenti, E. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Institute of Molecular Science and Technology of CNR, via Golgi 19, 20133 Milan (Italy); Milani, P. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy); Zikic, R. [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Jovanović, V.P., E-mail: vladimir.jovanovic@ipb.ac.rs [Institute of Physics, University of Belgrade, Pregrevica 118, 11000 Belgrade (Serbia); Srdanov, V.I. [Interdisciplinary Centre for Nanostructured Materials and Interfaces (CIMAINA), Università di Milano, Via Celoria 16, 20133 Milan (Italy)

2014-07-01

Owing to their low glass transition temperature, T{sub g}, amorphous thin films of N,N′-bis(3-methylphenyl)-N,N′-bis(phenyl)benzidine (TPD) undergo morphological changes even at room temperature. It has been noticed previously that exposure to UV light can increase apparent T{sub g} of TPD films and thus stabilize their morphology. However, the reason behind increase in structural stability was not examined at the time. Here we present evidence that TPD molecules undergo photo-oxidation in air when exposed to λ ≈ 350 nm radiation and that less than 5% of the photo-oxidized species are needed to prevent dewetting of thin TPD films. We propose that photo-oxidized TPD species bind strongly to both ordinary TPD molecules and to terminal hydroxyl groups at the substrate surface, which decreases mobility of TPD molecules and makes thin TPD film less prone to morphology changes. - Highlights: • We made variable thickness TPD films and exposed them to UV light under ambient conditions. • Mass spectroscopy and proton NMR measurements of irradiated and pristine TPD films • TPD molecules undergo oxidation process under UV light irradiation. • Dipole–dipole interactions may be responsible for stabilization of morphological changes.

Synthesis and structure of bis[(2E)-3-(2-furyl)prop-2-enoato]triphenylantimony Ph{sub 3}Sb[O{sub 2}CCH=CH(C{sub 4}H{sub 3}O)]{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Kalistratova, O. S., E-mail: Olga.Kalistratova@yandex.ru; Andreev, P. V.; Gushchin, A. V.; Somov, N. V.; Chuprunov, E. V. [Lobachevsky State University of Nizhny Novgorod (Russian Federation)

2016-05-15

Bis[(2E)-3-(2-furyl)prop-2-enoato]triphenylantimony Ph{sub 3}Sb[O{sub 2}CCH=CH(C{sub 4}H{sub 3}O)]{sub 2} is obtained for the first time by the reaction of triphenylantimony, hydrogen peroxide, and 2-furylpropene acid. The X-ray diffraction data show that the central atom of antimony is coordinated in the shape of a distorted trigonal bipyramid. The base of the bipyramid is formed by carbon atoms of phenyl ligands, and the apical vertices are occupied by acid residues. The IR and NMR spectra agree with the composition and structure of the compound.

Inhibition of S-adenosylmethionine decarboxylase and diamine oxidase activities by analogues of methylglyoxal bis(guanylhydrazone) and their cellular uptake during lymphocyte activation.

Science.gov (United States)

Jänne, J; Morris, D R

1984-03-15

Several congeners of methylglyoxal bis(guanylhydrazone) were tested for their ability to inhibit eukaryotic putrescine-activated S-adenosylmethionine decarboxylase (EC 4.1.1.50) and intestinal diamine oxidase (EC 1.4.3.6). All the compounds tested, namely methylglyoxal bis(guanylhydrazone), ethylglyoxal bis(guanylhydrazone), dimethylglyoxal bis(guanylhydrazone) and the di-N"-methyl derivative of methylglyoxal bis(guanylhydrazone), were strong inhibitors of both yeast and mouse liver adenosylmethionine decarboxylase activity in vitro. The enzyme from both sources was most powerfully inhibited by ethylglyoxal bis(guanylhydrazone). All the diguanidines likewise inhibited diamine oxidase activity in vitro. The maximum intracellular concentrations of the ethyl and dimethylated analogues achieved in activated lymphocytes were only about one-fifth of that of the parent compound. However, both derivatives appeared to utilize the polyamine-carrier system, as indicated by competition experiments with spermidine.

Side chain effect on electronic structure of spin-coated films of [6,6]-phenyl-C61-butyric acid methyl ester and its bis-adduct

International Nuclear Information System (INIS)

Akaike, Kouki; Kanai, Kaname; Ouchi, Yukio; Seki, Kazuhiko

2013-01-01

Highlights: ► Electronic structure of spin-coated films of PCBM and bis-PCBM was investigated. ► Ionization energy and electron affinity of bis-PCBM are smaller than those of PCBM. ► Electron donation from the side chain to C 60 -backbone raises the HOMO and LUMO. ► Open circuit voltages of PCBM-based solar cells relates to electron affinities. - Abstract: We investigated the electronic structure of spin-coated films of two soluble fullerenes; [6,6]-phenyl-C 61 -butyric acid methyl ester (PCBM) and its bis-adduct (bis-PCBM) using ultraviolet photoelectron spectroscopy, inverse photoemission spectroscopy and molecular orbital calculations. The ionization energy and electron affinity of spin-coated films of bis-PCBM were determined to be 6.01 eV and 3.4 eV, respectively. Analysis of electron density suggested the stronger electron donation from the two side chains to fullerene-backbone in a bis-PCBM molecule, compared with PCBM. The electron donation raises the energies of the frontier orbitals of bis-PCBM, which mainly consist of π-orbitals of fullerene-backbone. As a result, the ionization energy and electron affinity of bis-PCBM are smaller than those of PCBM. Moreover, we also concluded that the larger open circuit voltage observed for bis-PCBM based organic photovoltaics was explained by the higher-lying unoccupied molecular orbital of bis-PCBM

Species dependence of [{sup 64}Cu]Cu-Bis(thiosemicarbazone) radiopharmaceutical binding to serum albumins

Energy Technology Data Exchange (ETDEWEB)

Basken, Nathan E. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: nbasken@purdue.edu; Mathias, Carla J. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States); Lipka, Alexander E. [Department of Statistics, Purdue University, West Lafayette, IN 47907 (United States); Green, Mark A. [Division of Nuclear Pharmacy, Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, IN 47907 (United States)], E-mail: magreen@purdue.edu

2008-04-15

Introduction: Interactions of three copper(II) bis(thiosemicarbazone) positron emission tomography radiopharmaceuticals with human serum albumin, and the serum albumins of four additional mammalian species, were evaluated. Methods: {sup 64}Cu-labeled diacetyl bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-ATSM), pyruvaldehyde bis(N{sup 4}-methylthiosemicarbazonato)copper(II) (Cu-PTSM) and ethylglyoxal bis(thiosemicarbazonato)copper(II) (Cu-ETS) were synthesized and their binding to human, canine, rat, baboon and porcine serum albumins quantified by ultrafiltration. Protein binding was also measured for each tracer in human, porcine, rat and mouse serum. Results: The interaction of these neutral, lipophilic copper chelates with serum albumin is highly compound- and species-dependent. Cu-PTSM and Cu-ATSM exhibit particularly high affinity for human serum albumin (HSA), while the albumin binding of Cu-ETS is relatively insensitive to species. At HSA concentrations of 40 mg/ml, '% free' (non-albumin-bound) levels of radiopharmaceutical were 4.0{+-}0.1%, 5.3{+-}0.2% and 38.6{+-}0.8% for Cu-PTSM, Cu-ATSM and Cu-ETS, respectively. Conclusions: Species-dependent variations in radiopharmaceutical binding to serum albumin may need to be considered when using animal models to predict the distribution and kinetics of these compounds in humans.

Effective remediation of phenol,2,4-bis(1,1-dimethylethyl) and bis(2-ethylhexyl) phthalate in farm effluent using Guar gum--A plant based biopolymer.

Science.gov (United States)

Kee, Yang Ling; Mukherjee, Sumona; Pariatamby, Agamuthu

2015-10-01

This study was carried out to evaluate the efficiency of Guar gum in removing Persistent Organic Pollutants (POPs), viz. phenol,2,4-bis(1,1-dimethylethyl) and bis(2-ethylhexyl) phthalate (DEHP), from farm effluent. The removal efficiency was compared with alum. The results indicated that 4.0 mg L(-1) of Guar gum at pH 7 could remove 99.70% and 99.99% of phenol,2,4-bis(1,1-dimethylethyl) and DEHP, respectively. Box Behnken design was used for optimization of the operating parameters for optimal POPs removal. Scanning Electron Microscopy (SEM) and Fourier Transform Infrared (FTIR) spectroscopy studies were conducted on the flocs. SEM micrographs showed numerous void spaces in the flocs produced by Guar gum as opposed to those produced by alum. This indicated why Guar gum was more effective in capturing and removal of suspended particles and POPs as compared to alum. FTIR spectra indicated a shift in the bonding of functional groups in the flocs produced by Guar gum as compared to raw Guar gum powder signifying chemical attachment of the organics present in the effluent to the coagulant resulting in their removal. Guar gum is highly recommended as a substitute to chemical coagulant in treating POPs due to its non-toxic and biodegradable characteristics. Copyright © 2015 Elsevier Ltd. All rights reserved.

EL CRITERIO DE INTERPRETACIÓN DEL PRINCIPIO NON BIS IN ÍDEM PREVISTO EN EL ARTÍCULO 45.3 DE LA CONSTITUCIÓN ESPAÑOLA The Interpretation Criterium of the "Non Bis Idem" Principle Provided in Article 45.3 of Spain Constitution

Directory of Open Access Journals (Sweden)

Ramírez Torrado María Lourdes

2010-01-01

Full Text Available Respecto a la lectura constitucional del principio se propone una interpretación complementaria y diversa a la hasta ahora presentada por la doctrina constitucional y científica que insisten en derivar el sustento constitucional del postulado non bis in ídem del artículo 25. Desconociendo lo anterior, una disposición constitucional que prevé tácitamente el non bis in ídem al establecer un criterio para determinar cuál es la sanción o el procedimiento a imponer sin quebrantar la prohibición bis in ídem.Con ello nos referimos a la presencia de un cláusula de interpretación del principio non bis in ídem, prevista en el artículo 45.3, que contempla en su texto la prevalencia del Derecho Penal sobre el Administrativo.With respect to the constitutional reading of the principle we propose a complementary and diverse reading different from what has been presented to date by constitutional and scientific doctrine, which insist on deriving constitutional support from article 25.Setting the former aside, there is a constitutional disposition which considers tacitly the "non bis in idem" by establishing a criterion to determine what the sanction or the procedure is to be imposed without violating prohibition "bis in idem". We refer to the presence of an interpretation clause of the "bis in idem" principle provided in article 45.3, which considers the prevalence of Penal Law over Administrative Law.

Synthesis and Antitumor Evaluation of Novel Bis-Triaziquone Derivatives

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Yuh-Ling Lin

2009-06-01

Full Text Available Aziridine-containing compounds have been of interest as anticancer agents since late 1970s. The design, synthesis and study of triaziquone (TZQ analogues with the aim of obtaining compounds with enhanced efficacy and reduced toxicity are an ongoing research effort in our group. A series of bis-type TZQ derivatives has been prepared and their cytotoxic activities were investigated. The cytotoxicity of these bis-type TZQ derivatives were tested on three cancer lines, including breast cancer (BC-M1, oral cancer (OEC-M1, larynx epidermal cancer (Hep2 and one normal skin fibroblast (SF. Most of these synthetic derivatives displayed significant cytotoxic activities against human carcinoma cell lines, but weak activities against SF. Among tested analogues the bis-type TZQ derivative 1a showed lethal effects on larynx epidermal carcinoma cells (Hep2, with an LC50 value of 2.02 mM, and also weak cytotoxic activity against SF cells with an LC50 value over 10 mM for 24 hr treatment. Comparing the viability of normal fibroblast cells treated with compound 1a and TZQ, the LC50 value of the latter was 2.52 mM, indicating more toxicity than compound 1a. This significantly decreased cytotoxicity of compound 1a towards normal SF cells, while still maintaining the anticancer activity towards Hep2 cells is an interesting feature. Among the seven compounds synthesized, compound 1c has similar toxicity effects on the three cancer cell lines and SF normal cells as the TZQ monomer.

Bis[(lprolinate-N,O]Zn: A water-soluble and recycle catalyst for various organic transformations

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Roona Poddar

2017-05-01

Full Text Available Under the green chemistry perspective, bis[(lprolinate-N,O]Zn (also called zinc–proline or Zn[(l-pro]2 has proven its competence as a promising alternative in a plethora of applications such as catalyst or promoter. Owing to its biodegradable and non-toxic nature of bis[(lprolinate-N,O]Zn, it is being actively investigated as a water soluble green catalyst for synthetic chemistry. Bis[(lprolinate-N,O]Zn are readily utilized under mild conditions and have high selectivity and reactivity with broad range of substrate acceptance to make it better reaction medium for a wide variety of organic transformations. This Review summarizes the till date literature on its synthesis, characterization, and its catalytic role in various organic reactions.

Combinatorial Libraries of Bis-Heterocyclic Compounds with Skeletal Diversity

Science.gov (United States)

Soural, Miroslav; Bouillon, Isabelle; Krchňák, Viktor

2009-01-01

Combinatorial solid-phase synthesis of bis-heterocyclic compounds, characterized by the presence of two heterocyclic cores connected by a spacer of variable length/structure, provided structurally heterogeneous libraries with skeletal diversity. Both heterocyclic rings were assembled on resin in a combinatorial fashion. PMID:18811208

Conversion of diphosphatidylglycerol to bis(monoacylglyceryl)phosphate by lysosomes

NARCIS (Netherlands)

Poorthuis, B. J.; Hostetler, K. Y.

1978-01-01

Diphosphatidyl[1',2',3'-14C]glycerol (cardiolipin) is converted to bis(monoacylglyceryl)phosphate when incubated in vitro with rat lysosomes at pH 4.4. The stereochemical configuration of the product is unknown. This reaction probably takes place via lysophosphatidylglycerol, one of the major

catena-Poly[[copper(II-bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl selenide

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Maksym Seredyuk

2009-11-01

Full Text Available In the title compound, {[Cu(C10H14N4Se2](ClO42}n, the CuII ion is located on a twofold rotation axis and has a tetragonally distorted square-planar geometry constituted by four N atoms. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl selenide (L ligands bridges the copper centers into a polymeric chain extending along [001]. The perchlorate anions are involved in intermolecular N—H...O hydrogen bonding, which links the chains into layers parallel to the bc plane.

Pharmacological characterization and modeling of the binding sites of novel 1,3-bis(pyridinylethynyl)benzenes as metabotropic glutamate receptor 5-selective negative allosteric modulators

DEFF Research Database (Denmark)

Mølck, Christina; Harpsøe, Kasper; Gloriam, David E

2012-01-01

)pyridine (MPEP)-derived negative allosteric modulators, 2-, 3-, and 4-BisPEB, have been characterized. 2-, 3-, and 4-BisPEB are 1,3-bis(pyridinylethynyl)-benzenes and differ only by the position of the nitrogen atoms in the pyridine rings. Despite their high structural similarity, 2-BisPEB [1,3-bis(pyridin-2......-ylethynyl)-benzene, nitrogen atoms in ortho positions], with an IC(50) value in the nanomolar range, is significantly more potent than the 3- and 4-pyridyl analogs. Mutational analysis, directed by a previously published mGluR5 homology model, was used to determine key residues for the ligand...... that the higher potency of 2-BisPEB is due to hydrogen bonding to Ser809 because the S809A mutation made 2-BisPEB equipotent to 3- and 4-BisPEB (IC(50), 1-2.5 µM). The potency of MPEP was also greatly affected by S809A (52-fold), suggesting that a Ser809-mediated hydrogen bond is also a key interaction between...

Poisson Coordinates.

Science.gov (United States)

Li, Xian-Ying; Hu, Shi-Min

2013-02-01

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

Rhenium(V) and technetium(V) complexes of bis(o-hydroxyphenyl)phenylphosphine (PO22-) and (o-hydroxyphenyl)diphenylphosphine (PO-) ligands

International Nuclear Information System (INIS)

Luo, Hongyan; Setyawati, Ika; Rettig, S.J.; Orvig, C.

1995-01-01

The synthesis of several phosphine-based chelating compounds and chelates formed between these compounds and rhenium or technetium is discussed. Four categories of products result, (i) bis-(o-hydroxyphenyl) diphenylphosphine (PO) complexes, (ii) mono- (PO) complexes, (iii) bis-bis(o-hydroxyphenyl)-phenylphosphine (PO 2 ) complexes, and mixed-(PO) and (PO 2 ) complexes. Molecular structures of these compounds (including isomers) were probed by NMR, MS, and IR spectroscopies and by X-ray crystallography

2,6-Bis(9-ethyl-9H-carbazolylmethylenecyclohexanone

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Abdullah M. Asiri

2009-10-01

Full Text Available The title compound, 2,6-bis(ethyl-9-ethyl-9H-carbazolylmethylenecyclohexanone has been synthesized by condensation of 9-ethylcarbazole-3-aldehyde and cyclohexanone in ethanol in the presence of pyridine. The structure of this new compound was confirmed by elemental analysis, IR, 1H NMR, 13C NMR and EI-MS spectral analysis.

Non-covalent interactions between {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) with pyridoxine hydrochloride in methanol at T = (298.15, 308.15 and 318.15) K

International Nuclear Information System (INIS)

Brahman, Dhiraj; Sinha, Biswajit

2014-01-01

Highlights: • Methanolic solution of pyridoxine hydrochloride used as solvent. • {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) used as solute. • Partial molar volumes and viscosity B-coefficients of the solute were determined. • Weak 1:1 association between the complex and pyridoxine hydrochloride found. • Non-covalent interactions and Cu(II) complex acts as a net structure maker in the ternary solutions. - Abstract: Non-covalent interactions between of {N,N′-bis[(2-pyridinyl)methylene]-1, 2-benzenediamine]-bis(nitrato)}Cu(II) with pyridoxine hydrochloride in methanol were investigated by a combination of physico-chemical and spectrophotometric methods at T = (298.15, 308.15 and 318.15) K under ambient pressure. From measured density and viscosity data the apparent molar volume (ϕ V ), the slope (S V ∗ ), standard partial molar volume (ϕ V 0 ), standard transfer volume (Δ t ϕ V 0 ), isobaric apparent molar expansibility (ϕ E ), standard isobaric partial molar expansibility (ϕ E 0 ), the viscosity B-coefficient, its temperature derivative (∂B/∂T), solvation number (S n ) were calculated and discussed on the basis of specific or non-specific (solute + cosolute) and (solute + solvent) interactions. Thermodynamics of viscous flow were discussed on the basis of the transition state theory. Spectrophotometric results indicated 1:1 (solute + cosolute) interaction between the complex and pyridoxine hydrochloride

Equatorenes: synthesis and properties of chiral naphthalene, phenanthrene, chrysene, and pyrene possessing bis(1-adamantyl) groups at the peri-position.

Science.gov (United States)

Yamamoto, Koji; Oyamada, Naohiro; Xia, Sheng; Kobayashi, Yuta; Yamaguchi, Masahiko; Maeda, Hiroaki; Nishihara, Hiroshi; Uchimaru, Tadafumi; Kwon, Eunsang

2013-11-06

Chiral polycyclic aromatic hydrocarbons containing bis(1-adamantyl) groups at the peri-positions, named equatorenes, were synthesized in optically pure form starting from optically pure 4,5-bis(1-adamantyl)-8-methoxy-1-naphthol. A sequential Diels-Alder reaction of furan and arynes generated from 1,2-bromotriflates provided tricyclic and tetracyclic epoxides, and acid-catalyzed aromatization gave phenanthrol and chrysenol. Deoxygenation reactions involving the hydrogenolysis of triflates gave 1,8-bis(1-adamantyl)naphthalene, 1,10-bis(1-adamantyl)phenanthrene, and 1,12-bis(1-adamantyl)chrysene. 3,4-Bis(1-adamantyl)pyrene was synthesized from phenanthrol by Sonogashira coupling and Pt-catalyzed cyclization. Essentially no racemization occurred during the synthesis. X-ray analysis indicated the distorted naphthalene moiety possessing the peri-diadamantyl groups and the flat structure of the other benzene rings. UV-vis analysis of the equatorenes showed considerable redshifts compared with that of the corresponding achiral arenes. Electrochemical analysis of the naphthalene and pyrene indicated that the distortion decreased the highest occupied molecular orbital stability with no marked effect on the lowest unoccupied molecular orbital energy level, and the origin was discussed on the basis of calculation results.

1D and 2D Cobalt(II) Coordination Polymers, Co(ox)(en):Synthesis, Structures and Magnetic Properties

International Nuclear Information System (INIS)

Kang, Jae Un; Lee, Yu Mi; Kim, Seung Joo; Yun, Ho Seop; Do, Jung Hwan

2014-01-01

Two ethylenediamine cobalt(II) oxalate complexes Co(ox)(en), 1 and Co(ox)(en)·2H 2 O, 2 have been hydrothermally synthesized and characterized by single crystal X-ray diffraction, IR spectrum, TG analysis, and magnetic measurements. In 1, Co atoms are coordinated by two bis-bidentate oxalate ions in transconfiguration to form Co(ox) chains, which are further bridged by ethylenediamine molecules to produce 2D grid layers, Co(ox)(en). In 2, Co atoms are coordinated by bridging oxalate ions in cis - configuration to form Co(ox) chains, and the additional chelation of ethylenediamine to Co atoms completes 1D zigzag chain, Co(en)(ox). Two lattice water molecules stabilize the chains through hydrogen bonding. Magnetic susceptibility measurements indicate that both complexes exhibit weak antiferromagnetic coupling between cobalt(II) ions with the susceptibility maxima at 23 K for 1 and 20 K for 2, respectively. In 1 and 2, the oxalate ligands afford a much shorter and more effective pathway for the magnetic interaction between cobalt ions compared to the ethylenediamine ligands, so the magnetic behaviors of both complexes could be well described with 1D infinite magnetic chain model

Bis(trialkylsilyl) peroxides as alkylating agents in the copper-catalyzed selective mono-N-alkylation of primary amides.

Science.gov (United States)

Sakamoto, Ryu; Sakurai, Shunya; Maruoka, Keiji

2017-06-13

The copper-catalyzed selective mono-N-alkylation of primary amides with bis(trialkylsilyl) peroxides as alkylating agents was reported. The results of a mechanistic study suggest that this reaction should proceed via a free radical process that includes the generation of alkyl radicals from bis(trialkylsilyl) peroxides.

Complementarity and completed trials: reforming the Ne bis in idem ...

African Journals Online (AJOL)

Nnamdi Azikiwe University Journal of International Law and Jurisprudence ... This paper is concerned with the question whether article 20(3) of the Rome Statute is ... Rome Statute, Ne bis in idem, double jeopardy, International Criminal Court ...

cis-[1,4-Bis(diphenylphosphanylbutane-κ2P,P′]dichlorido(cyclohexane-1,2-diamine-κ2N,N′ruthenium(II dichloromethane monosolvate

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Ismail Warad

2012-05-01

Full Text Available In the title compound, [RuCl2(C6H14N2(C28H28P2]·CH2Cl2, the RuII ion is coordinated in a slightly distorted octahedral environment, formed by two cis-oriented chloride ligands, two cis P atoms of a 1,4-bis(diphenylphosphanylbutane ligand and two cis-chelating N atoms of a bidentate cyclohexane-1,2-diamine ligand. In the crystal, pairs of molecules form inversion dimers via N—H...Cl hydrogen bonds. In addition, intramolecular N—H...Cl and weak C—H...Cl, C—H...N, N—H...π and C—H...π hydrogen bonds are observed. One of the Cl atoms of the solvent molecule is disordered over two sites with refined occupancies of 0.62 (1 and 0.38 (1.

Side chain effect on electronic structure of spin-coated films of [6,6]-phenyl-C{sub 61}-butyric acid methyl ester and its bis-adduct

Energy Technology Data Exchange (ETDEWEB)

Akaike, Kouki, E-mail: akaike@riken.jp [Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan); Kanai, Kaname [Department of Physics, Faculty of Science and Technology, Tokyo University of Science, Yamazaki 2641, Noda 278-8510 (Japan); Ouchi, Yukio; Seki, Kazuhiko [Department of Chemistry, Graduate School of Science, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8602 (Japan)

2013-03-29

Highlights: ► Electronic structure of spin-coated films of PCBM and bis-PCBM was investigated. ► Ionization energy and electron affinity of bis-PCBM are smaller than those of PCBM. ► Electron donation from the side chain to C{sub 60}-backbone raises the HOMO and LUMO. ► Open circuit voltages of PCBM-based solar cells relates to electron affinities. - Abstract: We investigated the electronic structure of spin-coated films of two soluble fullerenes; [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM) and its bis-adduct (bis-PCBM) using ultraviolet photoelectron spectroscopy, inverse photoemission spectroscopy and molecular orbital calculations. The ionization energy and electron affinity of spin-coated films of bis-PCBM were determined to be 6.01 eV and 3.4 eV, respectively. Analysis of electron density suggested the stronger electron donation from the two side chains to fullerene-backbone in a bis-PCBM molecule, compared with PCBM. The electron donation raises the energies of the frontier orbitals of bis-PCBM, which mainly consist of π-orbitals of fullerene-backbone. As a result, the ionization energy and electron affinity of bis-PCBM are smaller than those of PCBM. Moreover, we also concluded that the larger open circuit voltage observed for bis-PCBM based organic photovoltaics was explained by the higher-lying unoccupied molecular orbital of bis-PCBM.

Effects of bis(guanylhydrazones) on the activity and expression of ornithine decarboxylase.

Science.gov (United States)

Nikula, P; Alhonen-Hongisto, L; Jänne, J

1985-01-01

Derivatives of glyoxal bis(guanylhydrazone) (GBG), such as methylglyoxal bis(guanylhydrazone) and ethylglyoxal bis(guanylhydrazone), are potent inhibitors of S-adenosylmethionine decarboxylase (EC 4.1.1.50), the key enzyme required for the synthesis of spermidine and spermine. These compounds, but not the parent compound, induce a massive accumulation of putrescine, partly by blocking the conversion of putrescine into spermidine, but also by strikingly stimulating ornithine decarboxylase (ODC; EC 4.1.1.17) activity. The mechanism of the stimulation of ODC activity and enhanced accumulation of the enzyme protein apparently involved a distinct stabilization of the enzyme against intracellular degradation. However, although the parent compound GBG also stabilized ODC, it powerfully inhibited the enzyme activity and the accumulation of immunoreactive protein in cultured L1210 leukaemia cells. Kinetic considerations indicated that, in addition to the stabilization, all three compounds, GBG in particular, inhibited the expression of ODC. It is unlikely that the decreased rate of synthesis of ODC was attributable to almost unaltered amounts of mRNA in drug-treated cells, thus supporting the view that especially GBG apparently depressed the expression of ODC at some post-transcriptional level. Images PMID:4062886

Simultaneous determination of octylphenol, nonylphenol, Bis(2-ethylehxyl) phathalate in biological samples

Energy Technology Data Exchange (ETDEWEB)

Kim, J.H. [Jeonju University, Chonju (Korea)

2001-04-01

A comprehensive analytical method of endocrine disruptors[i.e., nonylphenol (NP), octylphenol (OP), bis (2-ethylhexyl) phthalate (BEHP) in meat or pork samples was developed. The method employed closed culture tube extraction with dichloromethane and solvent exchange to iso-hexane and SPE 92g) aminopropyl column, followed by determination on gas chromatography linked to mass spectrometry (GC/MS) operated in the single ion monitoring (SIM) mode. For the multipoint recovery of nonylphenol, octylphenol and bis (2-ethylhexyl) phthalate OP, NP were shown good recoveries in 0.125 {approx} 1.25 {mu}g/g range of concentration, and BEHP more good recoveries on 0.0125 {approx} 12.5 {mu}g/g wide range of concentration. The present method was applied to beef or pork samples of mart and butcher in Cheonju city and near cheonju. The range of concentrations was respectively, 0.06 {approx} 0.24 {mu}g/g in bis (2-ethylhexyl)phthalate (BEHP), but octylphenol (OP) was not dec ted in any samples. This method provides a powerful analytical tool to investigate a wide range of endocrine disruptors in biological samples of limited quantity. (author). 24 refs., 5 tabs., 3 figs.

Crystal structure of 1,4-bis(3-ammoniopropylpiperazine-1,4-diium bis[dichromate(VI

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S. Vetrivel

2016-05-01

Full Text Available The asymmetric unit of the organic–inorganic title salt, (C10H28N4[Cr2O7]2, comprises one half of an 1,4-bis(3-ammoniopropylpiperazinediium cation (the other half being generated by the application of inversion symmetry and a dichromate anion. The piperazine ring of the cation adopts a chair conformation, and the two CrO4 tetrahedra of the anion are in an almost eclipsed conformation. In the crystal, the cations and anions form a layered arrangement parallel to (001. N—H...O hydrogen bonds between the cations and anions and additional C—H...O interactions lead to the formation of a three-dimensional network structure.

Non bis in idem : De ontwikkeling van een beginsel

NARCIS (Netherlands)

van Hattum, W.F.

2012-01-01

Non bis in idem. The development of a principle The double jeopardy rule forbids a second prosecution for the same offence. The rule is applicable after irrevocable judgments: condemnations as well as acquittals. If a conviction is subsequently found to be wrong, it is annulled. But what if an

Novel metal(II) coordination polymers based on N,N'-bis-(4-pyridyl)phthalamide as supercapacitor electrode materials in an aqueous electrolyte.

Science.gov (United States)

Gong, Yun; Li, Jian; Jiang, Peng-Gang; Li, Qing-Fang; Lin, Jian-Hua

2013-02-07

Based on the redox-active L (N,N'-bis-(4-pyridyl)phthalamide) ligand, two porous MOFs formulated as Zn(6)(BPC)(6)(L)(3)·9DMF (H(2)BPC = 4,4'-biphenyldicarboxylic acid) (1) and Cd(2)(TDC)(2)(L)(2)·4H(2)O (H(2)TDC = 2,5-thiophenedicarboxylic acid) (2) were synthesized and structurally characterized by single-crystal X-ray diffractions. Complex 1 features a uninodal 5-connected 3-fold interpenetrated 3D framework with {4(6).6(4)}-bnn hexagonal BN topology. Complex 2 displays a uninodal 6-connected 2-fold interpenetrated 3D framework with {4(12).6(3)}-pcu topology. When complexes 1 and 2 are used as supercapacitor electrode materials, they can provide a large voltage window as high as 2.6 V in an aqueous electrolyte, and their specific capacitances are much more than the value for the bare carbon glassy electrode. It is observed that the more the current density, the less the specific capacitance for the two kinds of supercapacitor electrode materials. The two complexes show different thermal stabilities, UV absorption and photoluminescence properties.

catena-Poly[[(triphenylphosphane-κPcopper(I]-di-μ-bromido-[(triphenylphosphane-κPcopper(I]-μ-1,3-bis(pyridin-4-ylpropane-κ2N:N′

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Jinfang Zhang

2012-03-01

Full Text Available Through a diffusion reaction, cuprous bromide, triphenylphosphane and 1,3-bis(pyridin-4-ylpropane (bpp were self-assembled to form the one-dimensional title compound, [Cu2Br2(C13H14N2(C18H15P2]n. Each CuI atom is coordinated by two Br atoms, one P atom from a triphenylphosphane ligand and one N atom from a bpp molecule in a distorted tetrahedral geometry. Two μ2-Br bridges connect two [Cu(PPh3]+ units to form neutral [CuBr(PPh3]2 dimers, which are linked by the flexible bridging bpp ligands to form a one-dimensional chain structure parallel to the c axis. The dihedral angle between the pyridine rings of the bpp ligand is 34.59 (14°.

Bis-polymer lipid-peptide conjugates and nanoparticles thereof

Energy Technology Data Exchange (ETDEWEB)

Xu, Ting; Dong, He; Shu, Jessica; Dube, Nikhil

2018-04-24

The present invention provides bis-polymer lipid-peptide conjugates containing a hydrophobic block and headgroup containing a helical peptide and two polymer blocks. The conjugates can self-assemble to form helix bundle subunits, which in turn assemble to provide micellar nanocarriers for drug cargos and other agents. Particles containing the conjugates and methods for forming the particles are also disclosed.

Synthesis and luminescence properties of two novel europium (III) perchlorate complexes with bis(benzylsulfinyl)methane and 1,10-phenanthroline

Energy Technology Data Exchange (ETDEWEB)

Li, Wen-Xian, E-mail: nmglwx@163.com [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Guo, Feng [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China); Zheng, Yu-Shan [Inner Mongolia Autonomous Region Product Quality Inspection Institute, Hohhot 010010 (China); Cao, Xiao-Fang; Feng, Shu-Yan; Bai, Juan; Xin, Xiao-Dong [College of Chemistry and Chemical Engineering, Inner Mongolia University, Hohhot 010021 (China)

2014-09-15

Two novel binary and ternary Europium (III) perchlorate complexes were synthesized. The binary complex was prepared with bis(benzylsulfinyl)methane as ligand, and the ternary complex was with bis(benzylsulfinyl)methane as first ligand and 1,10-Phenanthroline as second ligand. They were characterized by element analysis, molar conductivity, coordination titration analysis, IR, TG-DSC, {sup 1}HNMR and UV spectra. The results indicated that the composition of binary and ternary complexes was EuL{sub 2.5}·(ClO{sub 4}){sub 3}·3H{sub 2}O and Eu{sub 2}L{sub 4}·phen·(ClO{sub 4}){sub 6}·12H{sub 2}O (L=C{sub 6}H{sub 5}CH{sub 2}SOCH{sub 2}SOCH{sub 2}C{sub 6}H{sub 5}), respectively. The fluorescent spectra illustrated that the complexes displayed characteristic Europium (III) ion fluorescence in solid state, indicating the ligands favored energy transfer to the excitation state energy level of it. The strongest characteristic fluorescence emission intensity of the ternary system was 1.87 times as strong as that of the binary system. The fluorescent quantum yields of the Eu (III) ternary and binary complexes were also calculated. Additionally, the phosphorescence spectra and the luminescence mechanisms of the complexes were studied and explained. - Highlights: • Two rare earth complexes are new. And they are stabilized. • The intensities of the two rare earth complexes were all stronger and the lifetimes were longer. • The introduction of the second organic ligand1,10-Phenanthroline enhanced the fluorescence intensity. • The fluorescent quantum yields of two complexes being calculated are both very high.

Crystal structure of μ-oxalato-κ2O1:O2-bis[(dimethyl sulfoxide-κOtriphenyltin(IV

Directory of Open Access Journals (Sweden)

Serigne Fallou Pouye

2017-07-01

Full Text Available In the previously reported [C2O4(SnPh32] complex [Diop et al. (2003. Appl. Organomet. Chem. 17, 881–882.], the SnIV atoms are able to formally complete their coordination by addition of dimethyl sulfoxide (DMSO molecules provided by the reaction medium, affording the title complex, [Sn2(C6H56(C2O4(C2H6OS2]. The SnIV atoms are then pentacoordinated, with a common trans trigonal–bipyramidal arrangement. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry in space group type C2/c. The inversion centre is placed at the mid-point of the central bis-monodentate oxalate dianion, C2O42−, which bridges the [(SnPh3(DMSO] moieties. The molecule crystallizes as a disordered system, with two phenyl rings disordered by rotation about their Sn—C bonds, while the DMSO molecule is split over two positions due to a tetrahedral inversion at the S atom. All disordered parts were refined with occupancies fixed of 0.5.

Single-electron transfer in palladium complexes of 1,4-naphthoquinone-containing bis(pyrazol-1-yl)methane ligands.

Science.gov (United States)

Scheuermann, Sebastian; Sarkar, Biprajit; Bolte, Michael; Bats, Jan W; Lerner, Hans-Wolfram; Wagner, Matthias

2009-10-05

A 1,4-naphthoquinone-substituted bis(pyrazol-1-yl)methane ligand (N--N) has been synthesized and transformed into its corresponding Pd(II) chelate complex [(N--N)PdCl(2)]. Both N--N and [(N--N)PdCl(2)] have been fully characterized by NMR spectroscopy, spectro-electrochemistry, and X-ray crystallography. After treatment of [(N--N)PdCl(2)] with NEt(3), the signature of a 1,4-naphthosemiquinonate radical is visible in the UV-vis- and electron paramagnetic resonance (EPR) spectrum of the reaction mixture; the free ligand N--N does not react with NEt(3) under the conditions applied. It is therefore concluded that NEt(3) first reduces the Pd(II)-ion of [(N--N)PdCl(2)] to the zero-valent state and that this reaction is followed by a single-electron transfer from the metal atom to the 1,4-naphthoquinone moiety. The complex has been specifically designed to disfavor any direct Pd-to-naphthoquinone coordination. Electron transfer thus proceeds through space or, less likely, via sigma-bonds of the ligand framework.

Crystal structures of three co-crystals of 1,2-bis-(pyridin-4-yl)ethane with 4-alk-oxy-benzoic acids: 4-eth-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), 4-n-propoxybenzoic acid-1,2-bis(pyridin-4-yl)ethane (2/1) and 4-n-but-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1).

Science.gov (United States)

Tabuchi, Yohei; Gotoh, Kazuma; Ishida, Hiroyuki

2015-11-01

The crystal structures of three hydrogen-bonded co-crystals of 4-alk-oxy-benzoic acid-1,2-bis-(pyridin-4-yl)ethane (2/1), namely, 2C9H10O3·C12H12N2, (I), 2C10H12O3·C12H12N2, (II), and 2C11H14O3·C12H12N2, (III), have been determined at 93, 290 and 93 K, respectively. In (I), the asymmetric unit consists of one 4-eth-oxy-benzoic acid mol-ecule and one half-mol-ecule of 1,2-bis-(pyridin-4-yl)ethane, which lies on an inversion centre. In (II) and (III), the asymmetric units each comprise two crystallographically independent 4-alk-oxy-benzoic acid mol-ecules and one 1,2-bis-(pyridin-4-yl)ethane mol-ecule. In each crystal, the two components are linked by O-H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1unit of the acid and the base. Similar to the structure of 2:1 unit of (I), the units of (II) and (III) adopt nearly pseudo-inversion symmetry. The 2:1 units of (I), (II) and (III) are linked via C-H⋯O hydrogen bonds, forming tape structures.

A two-dimensional ZnII coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and N,N'-bis[(pyridin-4-yl)methylidene]hydrazine.

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Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong

2015-07-01

The hydrothermal synthesis of the novel complex poly[aqua(μ4-benzene-1,2,3-tricarboxylato)[μ2-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](μ3-hydroxido)dizinc(II)], [Zn(C9H3O6)(OH)(C12H10N4)(H2O)]n, is described. The benzene-1,2,3-tricarboxylate ligand connects neighbouring Zn4(OH)2 secondary building units (SBUs) producing an infinite one-dimensional chain. Adjacent one-dimensional chains are connected by the N,N'-bis[(pyridin-4-yl)methylidene]hydrazine ligand, forming a two-dimensional layered structure. Adjacent layers are stacked to generate a three-dimensional supramolecular architecture via O-H...O hydrogen-bond interactions. The thermal stability of this complex is described and the complex also appears to have potential for application as a luminescent material.

Impulsivity components measured by the Brazilian version of the Barratt Impulsiveness Scale (BIS-11)

OpenAIRE

Vasconcelos,Alina Gomide; Teodoro,Maycoln Leôni Martins; Malloy-Diniz,Leandro; Correa,Humberto

2015-01-01

The main purpose of this study was to investigate the psychometric properties of the Barratt Impulsiveness Scale (BIS-11). Content item analysis was conducted by seven doctoral students. A convenience sample of 897 students was submitted to BIS-11 and they also filled self-reports about Minor Mental Disorder and ADHD symptoms, alcohol use and cigarette smoking. Mean age was 27.32 (SD=8.69) years, 56% were female and 52% had incomplete college degree. Content and factorial analyses revealed th...

The Influence of Substituents on the Tautomerism of Symmetrically Substituted 2,2'-Bis-benzimidazoles

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Dall'Oglio Evandro

2002-01-01

Full Text Available The tautomerism of five symmetrically substituted 2,2'-bis-benzimidazoles [5(6,5'(6'-tetramethyl- (1; 5(6,5'(6'-dimethyl-(2; 5(6,5'(6'-dichloro- (3; 5(6,5'(6'-dimethoxy- (4 and 4(7,4'(7'-dimethyl-2,2'-bis-benzimidazole (5], was studied by means of ¹H NMR spectroscopy at variable temperatures, and the influence of the substituents on the energy barriers for tautomeric interconversion was interpreted with the aid of theoretical calculations.

Review: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes (2008 Buchbesprechung: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes

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Katrin Bromber

2009-05-01

Full Text Available Review of the monograph: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes, Stuttgart: Franz Steiner Verlag 2008, ISBN 978-3-515-09161-9, 359 pages. Besprechung der Monographie: Holger Stoecker: Afrikawissenschaften in Berlin von 1919 bis 1945. Zur Geschichte und Topographie eines wissenschaftlichen Netzwerkes, Stuttgart: Franz Steiner Verlag 2008, ISBN 978-3-515-09161-9, 359 Seiten.

Bis[N,N-bis(1-allyl-1H-benzimidazol-2-ylmethyl-κN3benzylamine-κN]cadmium dipicrate

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Jing-Kun Yuan

2011-06-01

Full Text Available The crystal structure of the title compound, [Cd(C29H29N52](C6H2N3O72, consists of CdII complex cations and picrate anions. In the complex cation, the CdII ion is chelated by two bis(1-allylbenzimidazol-2-ylmethylbenzylamine (babb ligands in a distorted octahedral geometry. Extensive C—H...O hydrogen bonding occurs between cations and anions in the crystal structure.

A family of entangled coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and auxiliary N-donor ligands: Luminescent sensing

Energy Technology Data Exchange (ETDEWEB)

Wang, Jun [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710127 (China); College of Chemistry and Environmental Engineering, Sichuan University of Science & Engineering, Zigong 643000 (China); Bai, Chao [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710127 (China); Hu, Huai-Ming, E-mail: ChemHu1@NWU.EDU.CN [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710127 (China); Yuan, Fei; Xue, Gang-Lin [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi' an 710127 (China)

2017-05-15

Eight Zn(II)-based coordination polymers, namely, [Zn{sub 2}L{sub 2}(2,2’-bipy)]{sub n}·nH{sub 2}O (1), [Zn{sub 2}L{sub 2}(phen)]{sub n}·nH{sub 2}O (2), [ZnL(phen)(H{sub 2}O)]{sub n} (3), [Zn{sub 3}L{sub 3}(4,4’-bipy)]{sub n} (4), [Zn{sub 2}L{sub 2}(4,4’-bipy){sub 2}]{sub n} [Zn{sub 2}L{sub 2}(H{sub 2}O){sub 2}]{sub n}·2nH{sub 2}O (5), [Zn{sub 4}L{sub 4}(bpp){sub 2}]{sub n} (6), [ZnL(bbi){sub 0.5}]{sub n} (7), [ZnL(bpz)]{sub n} (8) (H{sub 2}L=4,4’-([1,2-phenylenebis-(methylene)]bis(oxy))dibenzoic acid, 2,2’-bipy =2,2’-bipyridine, phen =1,10-phenanthroline, 4,4’-bpy=4,4’-bipyridine, bpp =1,3-bis(4-pyridyl)propane, bbi=1,4-bis(imidazol-1-yl)butane, bpz=3,3′,5,5′-tetramethyl-4,4′-bipyrazole), have been hydrothermally synthesized and structurally characterized. 1–8 display various coordination motifs with different entangled forms and conformations due to the effect of the assistant N-donor ligands. The photoluminescent properties of compounds 1–8 in solid state were studied. Interestingly, 3 exhibits highly efficient luminescent sensing for Cu{sup 2+} cations and CrO{sub 4}{sup 2-} anions, as well as detection ability for the different organic solvents and nitro explosives. These results indicated that it could be utilized as a multi-responsive luminescent sensor. Furthermore, compound 3 also shows good chemical resistance to both acidity and alkalinity solutions with pH ranging from 2 to 13. Thus, multi-photofunctionality and fluorescent response to pH have been combined in the 3, which is the first example in the Zn-based hybrid materials. - Graphical abstract: Eight new Zn(II)-based coordination polymers constructed from a flexible V-shaped long bicarboxylic acid and different N-donor ligands have been hydrothermally synthesized through fixing the metal salts and the solvent systems. The photoluminescent properties of complexes 1−8 in solid state were studied. Interestingly, 3 exhibits highly efficient luminescent sensing for Cu{sup 2

The transnational ne bis in idem principle in the EU. Mutual recognition and equivalent protection of human rights

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John A.E. Vervaele

2005-12-01

Full Text Available The deepening and widening of European integration has led to an increase in transborder crime. Concurrent prosecution and sanctioning by several Member States is not only a problem in inter-state relations and an obstacle in the European integration process, but also a violation of the ne bis in idem principle, defined as a transnational human right in a common judicial area. This article analyzes whether and to what extent the ECHR has contributed and may continue to contribute to the development of such a common ne bis in idem standard in Europe. It is also examined whether the application of the ne bis in idem principle in classic inter-state judicial cooperation in criminal matters in the framework of the Council of Europe may make such a contribution as well. The transnational function of the ne bis in idem principle is discussed in the light of the Court of Justice’s case law on ne bis in idem in the framework of the area of Freedom, Security and Justice. Finally the inherent tension between mutual recognition and the protection of human rights in transnational justice is analyzed by looking at the insertion of the ne bis in idem principle in the Framework Decision on the European arrest warrant.

Bis-Porphyrin Racks with Space-Separated Co-Planar Porphyrin Rings

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Martin R. Johnston

2001-03-01

Full Text Available A porphyrin appended norbornenyl building block 8 has been isolated and coupled, using a 1,3-dipolar ACE reaction, to yield bis-porphyrin compounds in which the porphyrin moietes are angled upward relative to the norbornane backbone.

Tradução e adaptação cultural da Barratt Impulsiveness Scale (BIS-11 para aplicação em adultos brasileiros Translation and cultural adaptation of Barratt Impulsiveness Scale (BIS-11 for administration in Brazilian adults

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Leandro Fernandes Malloy-Diniz

2010-01-01

Full Text Available OBJETIVOS: Os objetivos deste estudo foram traduzir, adaptar culturalmente e verificar a equivalência literal, semântica e idiomática da Barratt Impulsiveness Scale (BIS-11, que avalia a presença de manifestações da impulsividade tendo como base o modelo teórico proposto por Ernst Barratt. MÉTODOS: Inicialmente, a versão original em inglês da BIS-11 foi traduzida para o português por seis pesquisadores bilíngues. Em seguida, foi realizada uma tradução reversa para o inglês por uma tradutora de origem norte-americana. As versões original, traduzida e retraduzida foram avaliadas por um comitê de juízes especialistas, os quais emitiram pareceres com as observações pertinentes, o que culminou em uma versão final traduzida da BIS-11. As versões original e traduzida foram aplicadas em duas amostras da população geral com proficiência na língua inglesa, a fim de investigar a equivalência literal, semântica e idiomática da versão traduzida por meio de análises de correlação. CONCLUSÃO: Os resultados das análises quantitativas indicaram que a versão final do instrumento é satisfatória.OBJECTIVES: The objective of this study was to translate, make transcultural adaptation and assess the semantic, idiomatic and literal equivalence of the Barratt Impulsiveness Scale (BIS-11. METHODS:This scale assesses the presence of impulsive manifestations from the theoretical model proposed by Ernst Barratt. Firstly, the BIS-11 original version in English was translated to Portuguese by six bilingual researches. After this, was made the back-translation to English by a translator that was born in United States. Then, the three versions (original, translated and back-translated were assessed by a specialists committee which made and analyze and comments about the process and then we reach the final translated version of BIS-11. The original and translated version of BIS-11 was applied in two samples from general population with

catena-Poly[[copper(II)-bis[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide

Science.gov (United States)

Seredyuk, Maksym; Haukka, Matti; Pavlenko, Vadim A.; Fritsky, Igor O.

2009-01-01

In the title compound, {[Cu(C10H14N4Se)2](ClO4)2}n, the CuII ion is located on a twofold rotation axis and has a tetra­gonally distorted square-planar geometry constituted by four N atoms. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide (L) ligands bridges the copper centers into a polymeric chain extending along [001]. The perchlorate anions are involved in inter­molecular N—H⋯O hydrogen bonding, which links the chains into layers parallel to the bc plane. PMID:21578140

Bis(imidazolin-2-iminato) rare earth metal complexes: synthesis, structural characterization, and catalytic application.

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Trambitas, Alexandra G; Melcher, Daniel; Hartenstein, Larissa; Roesky, Peter W; Daniliuc, Constantin; Jones, Peter G; Tamm, Matthias

2012-06-18

Reaction of anhydrous rare earth metal halides MCl(3) with 2 equiv of 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-imine (Im(Dipp)NH) and 2 equiv of trimethylsilylmethyl lithium (Me(3)SiCH(2)Li) in THF furnished the complexes [(Im(Dipp)N)(2)MCl(THF)(n)] (M = Sc, Y, Lu). The molecular structures of all three compounds were established by single-crystal X-ray diffraction analyses. The coordination spheres around the pentacoordinate metal atoms are best described as trigonal bipyramids. Reaction of YbI(2) with 2 equiv of LiCH(2)SiMe(3) and 2 equiv of the imino ligand Im(Dipp)NH in tetrahydrofuran did not result in a divalent complex, but instead the Yb(III) complex [(Im(Dipp)N)(2)YbI(THF)(2)] was obtained and structurally characterized. Treatment of [(Im(Dipp)N)(2)MCl(THF)(n)] with 1 equiv of LiCH(2)SiMe(3) resulted in the formation of [(Im(Dipp)N)(2)M(CH(2)SiMe(3))(THF)(n)]. The coordination arrangement of these compounds in the solid state at the metal atoms is similar to that found for the starting materials, although the introduction of the neosilyl ligand induces a significantly greater distortion from the ideal trigonal-bipyramidal geometry. [(Im(Dipp)N)(2)Y(CH(2)SiMe(3))(THF)(2)] was used as precatalyst in the intramolecular hydroamination/cyclization reaction of various terminal aminoalkenes and of one aminoalkyne. The complex showed high catalytic activity and selectivity. A comparison with the previously reported dialkyl yttrium complex [(Im(Dipp)N)Y(CH(2)SiMe(3))(2)(THF)(3)] showed no clear tendency in terms of activity.

Impulsivity components measured by the Brazilian version of the Barratt Impulsiveness Scale (BIS-11

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Alina Gomide Vasconcelos

2015-03-01

Full Text Available The main purpose of this study was to investigate the psychometric properties of the Barratt Impulsiveness Scale (BIS-11. Content item analysis was conducted by seven doctoral students. A convenience sample of 897 students was submitted to BIS-11 and they also filled self-reports about Minor Mental Disorder and ADHD symptoms, alcohol use and cigarette smoking. Mean age was 27.32 (SD=8.69 years, 56% were female and 52% had incomplete college degree. Content and factorial analyses revealed that impulsivity was best represented by two latent factors labeled non-planning and inhibition behaviors. Test retest agreement tended to produce similar score patterns seven months after the first evaluation. Additionally, BIS-11 scores discriminated subjects in terms of cigarette smoking and psychopathological symptoms, which indicated evidences regarding criterion-related validity. The theoretical discussion was present based on the neuropsychological model of hot and cool aspects of executive function.

Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: A DFT computational study

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Tanak, Hasan; Marchewka, Mariusz K.; Drozd, Marek

2013-03-01

The experimental and theoretical vibrational spectra of Bis(melaminium) terephthalate dihydrate were studied. The Fourier transform infrared (FT-IR) spectra of the Bis(melaminium) terephthalate dihydrate and its deuterated analogue were recorded in the solid phase. The molecular geometry and vibrational frequencies of Bis(melaminium) terephthalate dihydrate in the ground state have been calculated by using the density functional method (B3LYP) with 6-31++G(d,p) basis set. The results of the optimized molecular structure are presented and compared with the experimental X-ray diffraction. The molecule contains the weak hydrogen bonds of Nsbnd H⋯O, Nsbnd H⋯N and Osbnd H⋯O types, and those bonds are calculated with DFT method. In addition, molecular electrostatic potential, frontier molecular orbitals and natural bond orbital analysis of the title compound were investigated by theoretical calculations. The lack of the second harmonic generation (SHG) confirms the presence of macroscopic center of inversion.

Interest of bone scintigraphy in the care of maxillary osteo-necroses induced by bis-phosphonates

International Nuclear Information System (INIS)

Agossa, Kevimy

2012-01-01

First cases of bis-phosphonates related osteonecrosis of jaws (BRONJ) have been described in 2003. Since then, this subject is one of the central concerns of several scientific communities, well beyond the oral sphere. The prevalence of BRONJ is evolving. Their etiology is not well established and the results of the treatments are inconstant. So many points that make the care to patients under bis-phosphonates really complex. Early diagnosis is essential in treatment outcome. So nuclear imaging including scintigraphy with technetium 99m seems to be helpful. It may allow detection before the onset of symptoms, facilitate localization of necrosis and it may be useful for the monitoring of such lesions after surgery. These are new applications for oncologist and dentist, in order to improve the management of patients treated by bis-phosphonates. (author) [fr

Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.

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Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie

2013-02-07

Amine elimination of rare earth tris(silylamide) complexes Ln[N(SiHMe(2))(2)](3)(THF)(2) (Ln = La, Sm, Er, Lu) with 1 equiv. of the pyridyl-functionalized indenyl ligand C(9)H(7)CMe(2)CH(2)C(5)H(4)N-α afforded a series of neutral mono-indenyl-ligated rare earth metal bis(silylamide) complexes (C(9)H(6)CMe(2)CH(2)C(5)H(4)N-α)Ln[N(SiHMe(2))(2)](2) (Ln = La (1), Sm (2), Er (3), Lu (4)) in 83-87% isolated yields. Reaction of La[N(SiHMe(2))(2)](3)(THF)(2) with 2 equivalents of C(9)H(7)CMe(2)CH(2)C(5)H(4)N-α provided the neutral bis(indenyl) lanthanum mono(silylamide) complex (C(9)H(6)CMe(2)CH(2)C(5)H(4)N-α)(2)LaN(SiHMe(2))(2) (5). These complexes were characterized by elemental analysis, FT-IR and NMR (except for 3 for the strong paramagnetic property of the central metal). X-ray single crystal structural diffraction showed that 1-4 are isostructural and the central metals are four-coordinated by one indenyl ring, one nitrogen atom from the pendant pyridyl group, and two amide groups to form a distorted tetrahedral geometry; while the central metal in 5 is five-coordinated by two indenyl rings, two nitrogen atoms from the pendant pyridyl groups, and one amide group to adopt a distorted pyramidal geometry, if the indenyl ring is regarded as occupying an independent vertex. The monoanionic pyridyl-functionalized indenyl ligand is bonded to the central metal in η(5)/κ(1) constrained geometry configuration (CGC) mode. 1-4 are highly active for the ring-opening polymerization of L-lactide and rac-lactide. In the presence of 2 equivalents of benzyl alcohol, 1 shows high activity toward L-lactide and rac-lactide in a living fashion.

Four Mixed-Ligand Zn(II Three-Dimensional Metal-Organic Frameworks: Synthesis, Structural Diversity, and Photoluminescent Property

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Chih-Chieh Wang

2017-11-01

Full Text Available Assemblies of four three-dimensional (3D mixed-ligand coordination polymers (CPs having formulas, {[Zn2(bdc2(4-bpdh]·C2H5OH·2H2O}n (1, [Zn(bdc(4-bpdh]n (2, {[Zn2(bdc2(4-bpdh2]·(4-bpdh}n (3, and {[Zn(bdc(4-bpdh]·C2H5OH}n (4 (bdc2− = dianion of 1,4-benzenedicarboxylic acid, 4-bpdh = 2,5-bis(4-pyridyl-3,4-diaza-2,4-hexadiene have been synthesized and structurally characterized by single-crystal X-ray diffraction method. Structural determination reveals that the coordination numbers (geometry of Zn(II ions in 1, 2, 3, and 4 are five (distorted square-pyramidal (SP, six (distorted octahedral (Oh, five (trigonal-bipyramidal (TBP, and four (tetrahedral (Td, respectively, and are bridged by 4-bpdh with bis-monodentate coordination mode and bdc2− ligands with bis-bidentate in 1, chelating/bidentate in 2, bis-monodentate and bis-bidentate in 3, and bis-monodentate in 4, to generate two-fold interpenetrating 3D cube-like metal-organic framework (MOF with pcu topology, non-interpenetrating 3D MOF, two-fold interpenetrating 3D rectangular-box-like MOF with pcu topology and five-fold interpenetrating diamondoid-like MOF with dia topology, respectively. These different intriguing architectures indicate that the coordination numbers and geometries of Zn(II ions, coordination modes of bdc2− ligand, and guest molecules play important roles in the construction of MOFs and the formation of the structural topologies and interpenetrations. Thermal stabilities, and photoluminescence study of 1–4 were also studied in detail. The complexes exhibit ligands based photoluminescence properties at room temperature.

Marine Natural Product Bis-indole Alkaloid Caulerpin: Chemistry and Biology.

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Lunagariya, Jignesh; Bhadja, Poonam; Zhong, Shenghui; Vekariya, Rohit; Xu, Shihai

2017-09-27

Marine bis-indole alkaloids comprise a large and increasingly growing class of secondary metabolites, and continue to deliver a great variety of structural templates. The alkaloids derived from marine resources play a crucial role in medicinal chemistry and as chemical agents. In particular, bis-indole alkaloid caulerpin isolated from marine green algae Caulerpa and a red algae Chondria armata at various places around the world, and tested against several therapeutic areas such as anti-diabetic, antinociceptive, anti-inflammatory, anti-tumor, anti-larvicidal, anti-herpes, anti-tubercular, anti-microbial and immunostimulating activity as well as means of other chemical agents. Herein, we summarized discovery of caulerpin, and its potential medicinal and chemical applications in chronological order with various aspects. Additionally, synthesis of caulerpin, its functional analogues, and structural isomer have also been reviewed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Bis{1,2-bis[bis(3-methoxypropylphosphanyl]ethane-κ2P,P′}dichloridoosmium(II

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Nathaniel K. Szymczak

2011-12-01

Full Text Available In the centrosymmetric title compound, [OsCl2(C18H40O4P22], the OsII atom adopts a trans-OsCl2P4 geometry, arising from its coordination by two chelating diphosphane ligands and two chloride ions. One of the methoxy side chains of the ligand is disordered over two orientations in a 0.700 (6:0.300 (6 ratio.

Utilizing bi-spectral index (BIS) for the monitoring of sedated adult ICU patients: a systematic review.

Science.gov (United States)

Bilgili, Beliz; Montoya, Juan C; Layon, A J; Berger, Andrea L; Kirchner, H L; Gupta, Leena K; Gloss, David S

2017-03-01

The ideal level of sedation in the ICU is an ongoing source of scrutiny. At higher levels of sedation, the current scoring systems are not ideal. BIS may be able to improve both. We evaluated literature on effectiveness of BIS monitoring in sedated mechanically ventilated (MV) ICU patients compared to clinical sedation scores (CSS). For this systematic review, full text articles were searched in OVID, MEDLINE, EMBASE, and Cochrane databases from 1986 - 2014. Additional studies were identified searching bibliographies/abstracts from national/international Critical Care Medicine conferences and references from searched articles retrieved. Search terms were: 'Clinical sedation scale, Bi-spectral Index, Mechanical ventilation, Intensive care Unit'. Included were prospective, randomized and non-randomized studies comparing BIS monitoring with any CSS in MV adult (>18 yr old) ICU patients. Studies were graded for quality of evidence based on bias as established by the GRADE guidelines. Additional sources of bias were examined. There were five studies which met inclusion criteria. All five studies were either unclear or high risk for blinding of participants and blinding of outcome assessment. All papers had at least one source of additional high risk, or unclear/unstated. BIS monitoring in the mechanically ventilated ICU patient may decrease sedative drug dose, recall, and time to wake-up. The studies suggesting this are severely limited methodologically. BIS, when compared to subjective CSSs, is not, at this time, clearly indicated. An appropriately powered randomized, controlled study is needed to determine if this monitoring modality is of use on the ICU.

Quantitation of methylglyoxal bis(guanylhydrazone) in blood plasma and leukemia cells of patients receiving the drug.

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Seppänen, P; Alhonen-Hongisto, L; Siimes, M; Jänne, J

1980-11-15

Methylglyoxal bis(guanylhydrazone), a cytostatic compound which apparently interferes with the metabolism and/or functions of the natural polyamines (spermidine and spermine), was effectively taken up by cultured human lymphocytic leukemia cells, rapidly resulting in the formation of a concentration gradient of up to 1,000-fold across the cell membrane in cells grown in the presence of micromolar concentrations of the drug. For an anti-proliferative effect on the leukemia cells, an intracellular concentration of more than 0.5 mM was required. The uptake of methylglyoxal bis(guanylhydrazone) was critically dependent on the growth rate of the leukemia cells. Low intracellular concentrations of the drug were present in cells growing slowly, whereas in rapidly dividing cells the intracellular concentration of the drug approached 5mM. When given as repeated intravenous infusions to two leukemic children, methylglyoxal bis(guanylhydrazone) exhibited sharp and transient peaks of plasma concentration, the drug having an apparent half-life in plasma of only 1-2 h. However, as in cultured cells, the drug was rapidly concentrated in the leukemia cells, reaching concentrations that were distinctly anti-proliferative. In contrast to the rapid disappearance of methylglyoxal bis(guanylhydrazone) from plasma, the circulation leukemia cells retained the drug for a period of several days with only minimal decrease in the initial concentrations. Methylglyoxal bis(guanylhydrazone) was given to the patients for 1 to 2 months as intravenous infusions, the timing of which was determined by regular assays of the drug concentrations in the leukemia cells. In agreement with the results obtained with the cultured cells, and intracellular concentration of about 0.5 to 1mM was apparently required for growth-inhibitory action to occur. Regular determination of the cellular drug concentrations indicated that methylglyoxal bis(quanylhydrazone) could be given as weekly infusions. This treatment

From polyethylene waxes to HDPE using an α,α'-bis(arylimino)-2,3:5,6-bis(pentamethylene)pyridyl-chromium(iii) chloride pre-catalyst in ethylene polymerisation.

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Huang, Chuanbing; Du, Shizhen; Solan, Gregory A; Sun, Yang; Sun, Wen-Hua

2017-05-30

Five examples of α,α'-bis(arylimino)-2,3:5,6-bis(pentamethylene)pyridyl-chromium(iii) chlorides (aryl = 2,6-Me 2 Ph Cr1, 2,6-Et 2 Ph Cr2, 2,6-i-Pr 2 Ph Cr3, 2,4,6-Me 3 Ph Cr4, 2,6-Et 2 -4-MePh Cr5) have been synthesized by the one-pot template reaction of α,α'-dioxo-2,3:5,6-bis(pentamethylene)pyridine, CrCl 3 ·6H 2 O and the corresponding aniline. The molecular structures of Cr1 and Cr4 reveal distorted octahedral geometries with the N,N,N-ligand adopting a mer-configuration. On activation with an aluminium alkyl co-catalyst, Cr1-Cr5 exhibited high catalytic activities in ethylene polymerization and showed outstanding thermal stability operating effectively at 80 °C with activities up to 1.49 × 10 7 g of PE (mol of Cr) -1 h -1 . Significantly, the nature of the co-catalyst employed had a dramatic effect on the molecular weight of the polymeric material obtained. For example, using diethylaluminium chloride (Et 2 AlCl) in combination with Cr4 gave high density/high molecular weight polyethylene with broad molecular weight distributions (30.9-39.3). By contrast, using modified methylaluminoxane (MMAO), strictly linear polyethylene waxes of lower molecular weight and narrow molecular weight distribution (1.6-2.0) were obtained with vinyl end-groups.

Effects of alkyl chain length and substituent pattern of fullerene bis-adducts on film structures and photovoltaic properties of bulk heterojunction solar cells.

Science.gov (United States)

Tao, Ran; Umeyama, Tomokazu; Kurotobi, Kei; Imahori, Hiroshi

2014-10-08

A series of alkoxycarbonyl-substituted dihydronaphthyl-based [60]fullerene bis-adduct derivatives (denoted as C2BA, C4BA, and C6BA with the alkyl chain of ethyl, n-butyl, and n-hexyl, respectively) have been synthesized to investigate the effects of alkyl chain length and substituent pattern of fullerene bis-adducts on the film structures and photovoltaic properties of bulk heterojunction polymer solar cells. The shorter alkyl chain length caused lower solubility of the fullerene bis-adducts (C6BA > C4BA > C2BA), thereby resulting in the increased separation difficulty of respective bis-adduct isomers. The device performance based on poly(3-hexylthiophene) (P3HT) and the fullerene bis-adduct regioisomer mixtures was enhanced by shortening the alkyl chain length. When using the regioisomerically separated fullerene bis-adducts, the devices based on trans-2 and a mixture of trans-4 and e of C4BA exhibited the highest power conversion efficiencies of ca. 2.4%, which are considerably higher than those of the C6BA counterparts (ca. 1.4%) and the C4BA regioisomer mixture (1.10%). The film morphologies as well as electron mobilities of the P3HT:bis-adduct blend films were found to affect the photovoltaic properties considerably. These results reveal that the alkyl chain length and substituent pattern of fullerene bis-adducts significantly influence the photovoltaic properties as well as the film structures of bulk heterojunction solar cells.

Thermodynamic investigation of the MOCVD of copper films from bis ...

Indian Academy of Sciences (India)

Equilibrium concentrations of various condensed and gaseous phases have been thermodynamically calculated, using the free energy minimization criterion, for the metalorganic chemical vapour deposition (MOCVD) of copper films using bis(2,2,6,6-tetramethyl-3,5-heptadionato)copper(II) as the precursor material.

Investigating phthalate and 1,3-diether coverage and dynamics on the (104) and (110) surfaces of MgCl2-supported Ziegler-Natta catalysts

KAUST Repository

Credendino, Raffaele

2014-04-17

In this work we present a systematic DFT analysis of the effect of surface coverage on the coordination properties of two industrial Lewis bases, dimethyl phthalate and 9,9-bis(methoxymethyl)fluorene, to the (104) and (110) surfaces of MgCl2. Further, we investigated several possible migration pathways for the migration of the Lewis bases on the same MgCl2 monolayer. Our study clearly shows that complete coverage of the Mg vacancies on the surface by coordinating dimethyl phthalate or 9,9-bis(methoxymethyl)fluorene is hampered by steric repulsion between vicinally coordinated donor molecules. Further, our study clearly indicates that both dimethyl phthalate and 9,9-bis(methoxymethyl) fluorene migration on the same MgCl2 monolayer on the (104) and (110) surfaces basically requires donor dissociation. © 2014 American Chemical Society.

Investigating phthalate and 1,3-diether coverage and dynamics on the (104) and (110) surfaces of MgCl2-supported Ziegler-Natta catalysts

KAUST Repository

Credendino, Raffaele; Liguori, Dario; Morini, Giampiero; Cavallo, Luigi

2014-01-01

In this work we present a systematic DFT analysis of the effect of surface coverage on the coordination properties of two industrial Lewis bases, dimethyl phthalate and 9,9-bis(methoxymethyl)fluorene, to the (104) and (110) surfaces of MgCl2. Further, we investigated several possible migration pathways for the migration of the Lewis bases on the same MgCl2 monolayer. Our study clearly shows that complete coverage of the Mg vacancies on the surface by coordinating dimethyl phthalate or 9,9-bis(methoxymethyl)fluorene is hampered by steric repulsion between vicinally coordinated donor molecules. Further, our study clearly indicates that both dimethyl phthalate and 9,9-bis(methoxymethyl) fluorene migration on the same MgCl2 monolayer on the (104) and (110) surfaces basically requires donor dissociation. © 2014 American Chemical Society.

Relation of the antiproliferative action of methylglyoxal-bis(guanylhydrazone) to the natural polyamines.

Science.gov (United States)

Seppänen, P; Alhonen-Hongisto, L; Jänne, J

1980-09-01

Enzymic determinations of intracellular concentrations of methylglyoxal-bis(guanylhydrazone), an anticancer drug which inhibits the synthesis of the polyamines spermidine and spermine, in cultured tumor cells revealed that the drug was remarkably effectively concentrated inside the cell. A concentration gradient across the cell membrane as great as 500--1000-fold was formed in cells exposed to the drug for 1-2 days. An exposure of cultured Ehrlich ascites carcinoma cells to increasing concentrations of the drug indicated that the cells could tolerate intracellular concentrations up to 1 mM with only slight changes in their proliferation rate. Micromolar concentrations of spermidine or spermine, but not putrescine, effectively blocked the uptake of methylglyoxal-bis(guanylhydrazone) and reduced the intracellular concentration of the drug below the levels required for growth inhibition. Analysis of cellular polyamine contents in Ehrlich ascites cells exposed to rising concentrations of methylglyoxal-bis(guanylhydrazone) gave little support to the view that the drug-induced growth inhibition was solely produced by an intracellular polyamine deprivation. Not only was the uptake of the drug inhibited in the presence of spermidine and spermine, but it was likewise washed out by polyamines from the cells that had been previously exposed to the drug and then transferred into drug-free medium in the presence of polyamines. For the inhibition of methylglyoxal-bis(guanylhydrazone) uptake by amines, three or more amino/imino groups were apparently required, since low concentrations of aliphatic diamines were either without any effect (short-chain diamines) or only marginally prevented (long-chain diamines) the uptake of the drug. High concentrations of Mg2+ ions, however, markedly inhibited the transport of the drug into Ehrlich ascites tumor cells.

N-doping of organic semiconductors by bis-metallosandwich compounds

Science.gov (United States)

Barlow, Stephen; Qi, Yabing; Kahn, Antoine; Marder, Seth; Kim, Sang Bok; Mohapatra, Swagat K.; Guo, Song

2016-01-05

The various inventions disclosed, described, and/or claimed herein relate to the field of methods for n-doping organic semiconductors with certain bis-metallosandwich compounds, the doped compositions produced, and the uses of the doped compositions in organic electronic devices. Metals can be manganese, rhenium, iron, ruthenium, osmium, rhodium, or iridium. Stable and efficient doping can be achieved.

REFORMING THE NE BIS IN IDEM CLAUSE OF ARTICLE 20(3)

African Journals Online (AJOL)

Fr. Ikenga

deal with all perpetrators of the crimes that come under its jurisdiction wherever such crimes are ... KAYITANA: Complementarity and Completed Trials: Reforming the Ne Bis in Idem Clause of Article 20(3) of ..... exchange for lenient sentences.

Isolation and Characterization of Stigmasterol and Bis-(5, 7-diacetyl ...

African Journals Online (AJOL)

Nigerian Journal of Basic and Applied Sciences ... from the hexane fraction and a catechin glycoside, Bis-(5,7-diacetyl-catechin-4'-α- rhamnopyranoside) was isolated from the ethylacetate soluble fraction using a combination of silica gel column, gel filtration (sephadex LH-20) and preparative thin layer chromatography.

Synthesis, spectral and single crystal X-ray structural studies on bis(2,2’-bipyridinesulphidoM(II (M = Cu or Zn and diaqua 2,2’-bipyridine zinc(IIsulphate dihydrate

Directory of Open Access Journals (Sweden)

ARUMUGAM MANOHAR

2010-08-01

Full Text Available Reaction of bis(diethanoldithiocarbamatocopper(II, [Cu(deadtc2] and bis(di-n-propyldithiocarbamatozinc(II, [Zn(dnpdtc2] complexes with 2,2’-bipyridine (2,2’-bipy (1:1 ratio in ethanol was investigated. Simple mixing of the reactants in 1:1 ratio resulted in five-coordinated [Cu(2,2’--bipy2S]•CH3CH2OSO3H (1 and [Zn(2,2’-bipy2S]•CH3CH2OSO3H·2H2O (2. Refluxing the reactants and cooling the contents result in the formation of [Zn(2,2’-bipy(H2O2]SO4 (3 and [Cu(2,2’-bipy(H2O2]SO4 (4. Complexes 1 and 2 are monomeric with trigonal bipyramidal geometry. A distorted octahedral environment was observed in complexes 3 and 4. The crystal structure of 4 has already been reported in the literature. Crystal structures of 1, 2 and 3 are reported in this paper. The M–S distances in 1 and 2 are 2.318(1 Å and 2.323 Å, respectively. The N–M–S angles are larger than the N–M–N angles due to the steric requirements.

Biochemical properties and crystal structure of ethylmethylglyoxal bis(guanylhydrazone) sulfate--an extremely powerful novel inhibitor of adenosylmethionine decarboxylase.

Science.gov (United States)

Elo, H; Mutikainen, I; Alhonen-Hongisto, L; Laine, R; Jänne, J; Lumme, P

1986-01-01

Ethylmethylglyoxal bis(guanylhydrazone) (EMGBG) sulfate, an analog of the well-known anti-leukemic drug methylglyoxal bis(guanylhydrazone), was synthesized. It was shown to be an extremely powerful competitive inhibitor of eukaryotic S-adenosylmethionine decarboxylase, with an apparent Ki value 12 nM. Thus, it appears to be the most powerful known inhibitor of the enzyme, being almost an order of magnitude more powerful than the corresponding ethylglyoxal derivative. It neither inhibited the proliferation of mouse L1210 leukemia cells in vitro, nor did it potentiate the growth inhibition produced by alpha-difluoromethyl ornithine. In this respect, its properties are closely related to those of dimethylglyoxal, ethylglyoxal and propylglyoxal bis(guanylhydrazones), while in striking contrast to those of the antiproliferative glyoxal and methylglyoxal analogs. EMGBG also inhibited intestinal diamine oxidase activity (Ki 0.7 microM). EMGBG sulfate was crystallized from water, giving orthorhombic crystals (space group Pbcn). Their crystal and molecular structure was determined by X-ray diffraction methods. The carbon-nitrogen double bonds between the ethylmethylglyoxal part and the aminoguanidine moieties were found to have the same configuration as they are known to have in the salts of glyoxal, methylglyoxal and propylglyoxal bis(guanylhydrazones). The glyoxal bis(guanylhydrazone) chain of the EMGBG cation deviated strongly from planarity, thus differing dramatically from the corresponding chains of the glyoxal, methylglyoxal and propylglyoxal analogs.

Bis-phosphonate sequestering agents. Synthesis and preliminary evaluation for in vitro and in vivo uranium(VI) chelation

Energy Technology Data Exchange (ETDEWEB)

Sawicki, M.; Lecercle, D.; Taran, F. [CEA Saclay, IBiTecS, Serv Chim Bioorgan et Marquage, F-91191 Gif Sur Yvette (France); Grillon, G.; Le Gall, B.; Serandour, A.L.; Poncy, J.L. [CEA, DSV, DRR, Lab Radiotoxicol, F-91680 Bruyeres Le Chatel (France); Bailly, T.; Burgada, R.; Lecouvey, M.; Challeix, V. [CNRS, Lab Chim Struct Biomol, UMR 7033, F-93017 Bobigny (France); Leydier, A.; Pellet-Rostaing, S. [Univ Lyon 1, ICBMS, UMR 5246, Lab Catalyse et Synth Organ, F-69622 Villeurbanne (France); Ansoborlo, E. [CEA, DEN, DRCP, CETAMA, VRH Marcoule, F-30207 Bagnols Sur Ceze (France)

2008-07-01

A library of bis-phosphonate-based ligands was prepared using solution-phase parallel synthesis and tested for its uranium-binding properties. With the help of a screening method, based on a chromo-phoric complex displacement procedure, 23 dipodal and tripodal chelates bearing bis-phosphonate chelating functions were found to display very high affinity for the uranyl ion and were selected for evaluation of their in vivo uranyl-removal efficacy. Among them, 11 ligands induced a huge modification of the uranyl biodistribution by deviating the metal from kidney and bones to liver. Among the other ligands, the most potent was the dipodal bis-phosphonate 3C which reduced the retention of uranyl and increased its excretion by around 10% of the injected metal. (authors)

Pharmacokinetic behaviour of phenylglyoxal bis(guanylhydrazone) (PGBG) after intravenous administration in rabbits.

Science.gov (United States)

Rodríguez, C; San Andrés, M I; San Andrés, M D; Encinas, T; González, F; Ballesteros, E

2001-04-01

Phenylglyoxal bis(guanylhydrazone) (PGBG) is a synthesized analogue of methylglyoxal bis(guanylhydrazone) (MGBG), which has demonstrated anti-parasitic activity in rabbits. The pharmacokinetic behaviour of PGBG after intravenous administration (10 mg/kg bodyweight) was studied in five rabbits. Plasma concentrations of PGBG were measured by high-performance liquid chromatography. Plasma PGBG concentrations decreased rapidly and were not detectable beyond 90 min after treatment. The mean [+/- standard deviation (SD)] volume of distribution at steady state (Vdss) was 2.19 +/- 0.47 l/kg and the mean plasma clearance value (Cl) was 29.99 +/- 3.98 ml/min kg. This drug is rapidly eliminated from the body in rabbits, having a short elimination half-life (0.93 h) and mean residence time (1.21 h).

Fluorimetric determination of yttrium by methyl-bis(8-hydraxy--- 2-quinolyl)amine

International Nuclear Information System (INIS)

Golovina, A.P.; Kachin, S.V.; Runov, V.K.; Fakeeva, O.A.

1982-01-01

Using a method of mathematical Box-Wilson experiment planning the optimum conditions of yttrium fluorimetric determination by methyl-bis (8-hydroxy-2-quinolyl) amine (pH 7.5, csub(R)=1.4x10sup(-5) M) with the determination limit=0.05 μg/ml are found. An extraction-fluorimetric method of yttrium determination by methyl-bis (8-hydroxy-2-quinolyl) amine is developed. The extraction has been realized with aliphatic alcohols at pH > 11. The method is characteristic of the lowest determination limit (0.01 μg/ml) as compared with the known ones. The possibility is shown of yttrium determination in the presence of 5000-multiple aluminium contents, stoichiometric contents of La, Lu, Fe (3), U (6), tartrates, citrates

cis-Bis(2,2′-bipyridine-κ2N,N′bis(dimethyl sulfoxide-κOzinc bis(tetraphenylborate dimethyl sulfoxide monosolvate

Directory of Open Access Journals (Sweden)

Stefania Tomyn

2011-12-01

Full Text Available In the mononuclear title complex, [Zn(C10H8N22(C2H6OS2](C24H20B2·C2H6OS, the ZnII ion is coordinated by four N atoms of two bidentate 2,2′-bipyridine molecules and by the O atoms of two cis-disposed dimethyl sulfoxide molecules in a distorted octahedral geometry. The S atom and the methyl groups of one of the coordinated dimethyl sulfoxide molecules are disordered in a 0.509 (2:0.491 (2 ratio. The crystal packing is stabilized by C—H...O hydrogen bonds between the dimethyl sulfoxide solvent molecules and tetraphenylborate anions.

Crystal structure of bis{μ-2-[(dimethylaminomethyl]ferroceneselenolato}bis[chloridopalladium(II

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Esther M. Takaluoma

2014-10-01

Full Text Available The dinuclear title compound, [PdCl{Se[(C5H5Fe(C5H32CH2N(CH32]}]2 was obtained by the reaction of [PdCl2(NCPh2] with 2-[(N,N′-dimethylaminomethyl]ferroceneselenolate and the crystals for the structure determination were grown from a mixture of THF and n-hexane. Both PdII atoms are coordinated by the bridging Se atoms and by the amino N atoms of the bidentate 2-[(N,N′-dimethylaminomethyl]ferroceneselenolate ligand, as well as by Cl atoms, and show a distorted square-planar coordination. The angle between the Pd—Se—Se planes of the two Pd atoms is 149.31 (3°. Weak Cl...H hydrogen bonds link the binuclear complexes into a three-dimensional network.

One-pot, Facile Synthesis of Quinoxaline Derivatives from Bis-aryl a ...

African Journals Online (AJOL)

NICO

Bis-aryl a-Hydroxyketones and o-Arenediamines using. KMnO. 4. /CuSO. 4 ... Faculty of Chemistry, Bu-Ali Sina University, Hamedan 65174, Iran. Received 31 ... cent materials,6 organic semiconductors,7 building blocks for the synthesis of ...

Complexation of Cm(III) and Eu(III) with 2,6-bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine and 2-bromohexanoic acid studied by time-resolved laser fluorescence spectroscopy

International Nuclear Information System (INIS)

Bremer, A.; Panak, P.J.; Heidelberg Univ.; Geist, A.

2013-01-01

The complexation of Cm(III) and Eu(III) with 2,6-bis(5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl)pyridine (C5-BPP) and 2-bromohexanoic acid as lipophilic anion has been investigated by time-resolved laser fluorescence spectroscopy. Upon increasing ligand concentration three different Cm(III)-C5-BPP species with emission bands at 604.1 nm, 607.9 nm and 611.4 nm, respectively, are found and attributed to complexes with one, two and three C5-BPP molecules in the inner coordination sphere. Comparison with results of TRLFS experiments without 2-bromohexanoic acid shows that the C5-BPP ligand is able to completely displace the lipophilic anion from the inner coordination sphere, forming [Cm(C5-BPP) 3 ] 3+ complexes. This complex is also found in the organic phase of an extraction experiment performed with Cm(III), demonstrating that the lipophilic anion required for the extraction is not directly coordinated to the metal ion in the species formed during extraction. In case of Eu(III) the number of different species formed cannot be determined accurately. Nevertheless, the formation of the complex [EU(C5-BPP) 3 ] 3+ in the presence of 2-bromohexanoic acid is confirmed. (orig.)

Bis-ligated Ti and Zr complexes of chelating N-heterocyclic carbenes

KAUST Repository

El-Batta, Amer; Waltman, Andrew W.; Grubbs, Robert H.

2011-01-01

In this communication we report the synthesis of novel titanium and zirconium complexes ligated by bidentate "salicylaldimine-like" N-heterocyclic carbenes (NHC). Double addition of the NHC chelate to either TiCl4(thf)2 or ZrCl4 forms bis

Radical bonding: structure and stability of bis(phenalenyl) complexes of divalent metals from across the periodic table.

Science.gov (United States)

Craciun, Smaranda; Donald, Kelling J

2009-07-06

We examine the bonding possibilities of the bis(phenalenyl) MP(2) sandwich complexes of the divalent metals M = Be, Mg, Ca, Sr, Ba, Zn, Cd, and Hg, at the B3LYP level of theory. The outcome is an extraordinarily diverse class of low symmetry bis(phenalenyl)metal complexes in which bonding preferences and binding enthalpies differ dramatically. The lowest energy group 2 metal MP(2) complexes include an intriguing eta(1),eta(3) BeP(2) structure, and bent eta(6),eta(6) systems for M = Ca, Sr, and Ba. The group 12 bis(phenalenyl) complexes are thermodynamically unstable eta(1),eta(1) slip-sandwich structures. To better understand changes in the structural preferences going from the (eta(6),eta(6)) group 2 to the (eta(1),eta(1)) group 12 complexes, we explored the bonding in the bis(phenalenyl) complexes of transition metals with stable +2 oxidations states between Ca and Zn in period 4. The computed binding enthalpies are large and negative for nearly all of the minimum energy bis(phenalenyl) complexes of the group 2 and the transition metals; they are tiny for MgP(2), and are quite positive for the group 12 systems. The structural preferences and stability of the complexes is a subtle negotiation of several influences: the (un)availability of (n - 1)d and np, orbitals for bonding, the cost of the rehybridization at carbon sites in the phenalenyl rings in preparation for bonding to the metals, and the (P---P) interaction between the phenalenyl radicals.

Synthesis of Some New bis-Schiff Bases of Isatin and 5-Fluoroisatin in a Water Suspension Medium

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D. Khalili

2006-01-01

Full Text Available Condensation of aromatic primary bis-amines with isatin (1H-indole-2,3-dione and 5-flouroisatin occurred cleanly and efficiently in a water suspension mediumwithout using any organic solvent or acid catalyst. The corresponding bis-Schiff baseswere obtained in good yields and were easily isolated by filtration. Their structures wereconfirmed by 1H-NMR, 13C-NMR, IR and mass spectra.

3.2.1. Synthesis, crystal and molecular structure of catena-(bis(µ1-oxalic acid-µ3-hydrogen oxalate-di-aqua-sodium(I.

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Olga Kovalchukova*, Sergey Aldoshin, Andrey Utenyshev, Konstantin Bogenko, Valeriy Tkachev

2015-07-01

Full Text Available The crystal and molecular structure of catena-(bis(µ- oxalic acid-µ-hydrogen oxalate-di-aqua-sodium(I was detected by X-Ray analysis. The compound crystallizes in the triclinic space group P-1, with a(Å 6.2378(12; b(Å 7,1115(14; c(Å 10.489(2; α(° 94.65(3; β(° 100.12(3; γ(° 97.78(3. The sodium cation in the title compound is eight coordinated and forms a square antiprism. It is surrounded by two molecules of oxalic acid, one hydrogen oxalate anion and one water molecule. Both oxalic acid and hydrogen oxalate anion act as polydentate bridging ligands. Centrosymmetric sodium cations are bounded by hydrogen oxalate anions through a system of H bonds involving the molecules of oxalic acid. In the lattice, the 3D structure stabilized by H bonds is formed.

Photoluminescence and Coordination Behaviour of Lanthanide Complexes of Tris (Aminomethyl)Ethane-5-Oxine in Aqueous Solution.

Science.gov (United States)

Akbar, Rifat; Baral, Minati; Kanungo, B K

2017-01-01

Photophysical properties of a multidentate tripodal ligand, 5,5'-(2-(((8-hydroxyquinolin-5-yl) methylamino)methyl)-2-methylpropane-1,3-diyl) bis (azanediyl)bis (methylene)diquinolin-8-ol, (TAME5OX), with La 3+ and Er 3+ ions have been examined for photonics applications. The change in behavior in electronic spectra of these complexes reveals the use of TAME5OX as a sensitive optical pH based sensor to detect Ln 3+ ions whereas indication of strong green fluorescence allows simultaneous sensing within the visible region in competitive medium. The intense fluorescence intermittently gets quenched under acidic and basic conditions due to photoinduced intramolecular electron transfer from the excited 8-hydroxyquinoline (8-HQ) moiety to the metal ion. This renders these compounds the OFF-ON-OFF type of pH-dependent fluorescent sensor. The thermodynamic stability and coordination behaviour of the chelator with the said lanthanide ions have also been probed by potentiometric, UV - visible and fluorescence spectrophotometric method. TAME5OX forms protonated complex [Ln (H 4 L)] 4+ below pH ~4.0 which sequentially deprotonates through one proton process with increase of pH. The stability constants of neutral complexes have been determined to be in the range log β 110  = 32-34 and pLn in the range of 14-20, indicating TAME5OX is a good synthetic lanthanide chelator. Theoretical spectra were also calculated by ZINDO/s methodology at single excitations (CIS) level on PM7 as sparkle energy-minimized geometries.

Solvent effect on thermodynamics of Ag(I) coordination to tripodal polypyridine ligands

DEFF Research Database (Denmark)

Del Piero, Silvia; Melchior, Andrea; Menotti, Davide

2009-01-01

  An investigation on the thermodynamics of complex formation between Ag(I) ion and different tripodal ligands (tris[(2-pyridyl)methyl]amine) (TPA) and 6,6'-bis[bis(2-pyridylmethyl)aminomethyl]-2,2'-bipyridine (BTPA) has been carried out in the aprotic solvents dimethylsulfoxide (DMSO) and dimeth......  An investigation on the thermodynamics of complex formation between Ag(I) ion and different tripodal ligands (tris[(2-pyridyl)methyl]amine) (TPA) and 6,6'-bis[bis(2-pyridylmethyl)aminomethyl]-2,2'-bipyridine (BTPA) has been carried out in the aprotic solvents dimethylsulfoxide (DMSO......)ethyl)amine  (Me3TREN) as a result of  combination of structural rigidity of TPA and lower s-donor ability of pyridinic moieties with respect to primary and secondary amines. The same trend is found if the stability of Ag(I) complex with TPA is compared with that of tris(2-(dimethylamino)ethyl)amine  (ME6TREN...... is largely influenced by the different solvational properties of the solvents towards Ag(I) ion rather than by the significative difference in the dielectric constants. Udgivelsesdato: Oktober...

Tax penalty payment and the “non bis in idem” principle

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Marie Karfíková

2017-01-01

Full Text Available The subject. This paper deals with problems related to tax law with a special focus on legalregulation of the tax procedure contained in the Czech Tax Procedure Code. Attention ispaid in particular to tax penalty payments and the “non bis in idem” principle.The purpose to identify ratio between penalty payments in tax procedure and in criminalprocedure in context of “non bis in idem” principle.The methodological basis of the article is analysis of legislation and court practice of Czechrepublic, Austria, European Union, including formal legal analysis, comparative analysis,synthesis, systematic approach.The results and scope of application. The existing case law of the Czech criminal courts andof the Supreme Court was based on the legal opinion that a penalty payment imposed bythe tax administration in a tax procedure constitutes no punishment, i.e. it is no sanction ofcriminal nature, so that even the final (enforceable decision of the tax administration doesnot create a “ne bis in idem”1 barrier in relation to criminal sanctions for the same taxesrelatednon-compliant action (tax evasion in respect of the penalty payment imposed bythe tax administration.Conclusions. It would probably be advisable for the legislation to amend the relevant provisionsof the Tax Procedure Code in a way that the tax authorities concentrate within thelimits of their powers on proper tax collection and that the law enforcement authorities areauthorized to punishments for deliberate tax evasion. A suggested amendment may thereforebe the removal of the penalty payments from the Tax Procedure Code as the defaultinterest itself is sufficient instrument enough to penalize the taxpayers. Another option is to keep the tax penalty payment in the Tax Procedure Code, but its imposition would only be considered after making sure that the result of any criminal proceedings does not constitute a “ne bis in idem” prohibition within the meaning of Art. 40 (5 of the

Comparative Study of Structure-Property Relationships in Polymer Networks Based on Bis-GMA, TEGDMA and Various Urethane-Dimethacrylates

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Izabela Barszczewska-Rybarek

2015-03-01

Full Text Available The effect of various dimethacrylates on the structure and properties of homo- and copolymer networks was studied. The 2,2-bis-[4-(2-hydroxy-3- methacryloyloxypropoxyphenyl]-propane (Bis-GMA, triethylene glycol dimethacrylate (TEGDMA and 1,6-bis-(methacryloyloxy-2-ethoxycarbonylamino-2,4,4-trimethylhexane (HEMA/TMDI, all popular in dentistry, as well as five urethane-dimethacrylate (UDMA alternatives of HEMA/TMDI were used as monomers. UDMAs were obtained from mono-, di- and tri(ethylene glycol monomethacrylates and various commercial diisocyanates. The chemical structure, degree of conversion (DC and scanning electron microscopy (SEM fracture morphology were related to the mechanical properties of the polymers: flexural strength and modulus, hardness, as well as impact strength. Impact resistance was widely discussed, being lower than expected in the case of poly(UDMAs. It was caused by the heterogeneous morphology of these polymers and only moderate strength of hydrogen bonds between urethane groups, which was not high enough to withstand high impact energy. Bis-GMA, despite having the highest polymer morphological heterogeneity, ensured fair impact resistance, due to having the strongest hydrogen bonds between hydroxyl groups. The TEGDMA homopolymer, despite being heterogeneous, produced the smoothest morphology, which resulted in the lowest brittleness. The UDMA monomer, having diethylene glycol monomethacrylate wings and the isophorone core, could be the most suitable HEMA/TMDI alternative. Its copolymer with Bis-GMA and TEGDMA had improved DC as well as all the mechanical properties.

Thermal studies on a mechanical prototype of A BIS MDT chamber

CERN Document Server

Petridou, C; Wotschack, J; Zisis, A

1998-01-01

The deformations of a BIS MDT chamber owing to temperature gradients between the two multilayers and between the two Faraday cages were studied on a mechanical prototype. The influence of thermal insulation on the thermal behaviour of the chamber is also reported.

Adhesion of Streptococcus Mutans to Glass Ionomer, BisCem Cement and Enamel: An In Vitro Study

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Ezzatollah Jalalian

2016-05-01

Full Text Available Objectives: Considering the adhesion of some microorganisms such as Streptococcus mutans (S. mutans to restorative materials and the unrecognized consequences of this phenomenon, and due to the controversies in this regard, it is important to discover the materials to which the lowest adhesion of S. mutans occurs. The objective of this study was to assess the level of adhesion of S. mutans to glass ionomer (GI, BisCem Cement and enamel.Materials and Methods:In this in vitro experimental study, 12 specimens including five GI blocks (GC America Inc., Alsip, IL, USA, five BisCem blocks (Bisco Inc., Schaumburg, IL, USA and two enamel blocks were exposed to a bacterial suspension (1×106 mg/mL. After incubation for one hour at 37˚C, the swab samples were taken and cultured in blood agar. The S. mutans colonies were counted by unaided vision after 48 hours of incubation. The results were analyzed using ANOVA followed by the Tukey’s test.Results:The number of colonies attributed to enamel, GI, and BisCem blocks was 24±2, 24.2±2.7 and 14.8±1.7 colonies/mm2, respectively. There was no difference between enamel and GI in terms of adhesion of S. mutans (P=0.08 and P>0.001, respectively; however, the difference between these two and BisCem was statistically significant (P= 0.00075 and P<0.001, respectively.Conclusion:Within the limitations of this study, BisCem cement is superior to GI for the cementation of indirect restorations.  Normal 0 false false false EN-US JA AR-SA Modulation of the conflict monitoring intensity: the role of aversive reinforcement, cognitive demand, and trait-BIS.

Science.gov (United States)

Leue, Anja; Lange, Sebastian; Beauducel, André

2012-06-01

According to Botvinick's (2007) integrative account, conflict monitoring is aversive because individuals anticipate cognitive demand, whereas the revised reinforcement sensitivity theory (rRST) predicts that conflict processing is aversive because individuals anticipate aversive reinforcement of erroneous responses. Because these accounts give different reasons for the aversive aspects of conflict, we manipulated cognitive demand and the aversive reinforcement as a consequence of wrong choices in a go/no-go task. Thereby, we also aimed to investigate whether individual differences in conflict sensitivity (i.e., in trait anxiety, linked to high sensitivity of the behavioral inhibition system [trait-BIS]) represent the effects of aversive reinforcement and cognitive demand in conflict tasks. We expected that these manipulations would have effects on the frontal N2 component representing activity of the anterior cingulate cortex. Moreover, higher-trait-BIS individuals should be more sensitive than lower-trait-BIS individuals to aversive effects in conflict situations, resulting in a more negative frontal N2 for higher-trait-BIS individuals. In Study 1, with N = 104 students, and Study 2, with N = 47 students, aversive reinforcement was manipulated in three levels (within-subjects factor) and cognitive demand in two levels (between-subjects factor). The behavioral findings from the go/no-go task with noncounterbalanced reinforcement levels (Study 1) could be widely replicated in a task with counterbalanced reinforcement levels (Study 2). The frontal mean no-go N2 amplitude and the frontal no-go N2 dipole captured predicted reinforcement-related variations of conflict monitoring, indicating that the anticipation of aversive reinforcement induces variations in conflict monitoring intensity in frontal brain areas. The aversive nature of conflict was underlined by the more pronounced conflict monitoring in higher- than in lower-trait-BIS individuals.

Next-generation bis-locked nucleic acids with stacking linker and 2'-glycylamino-LNA show enhanced DNA invasion into supercoiled duplexes

DEFF Research Database (Denmark)

Geny, Sylvain; Moreno, Pedro M D; Krzywkowski, Tomasz

2016-01-01

Targeting and invading double-stranded DNA with synthetic oligonucleotides under physiological conditions remain a challenge. Bis-locked nucleic acids (bisLNAs) are clamp-forming oligonucleotides able to invade into supercoiled DNA via combined Hoogsteen and Watson-Crick binding. To improve the b...

[Karin Hallas. Das Tallinner Mietshaus. Vom Historismus bis zum Jugendstil] / Paul Kaegbein

Index Scriptorium Estoniae

Kaegbein, Paul

2006-01-01

Arvustus: Karin Hallas. Das Tallinner Mietshaus. Vom Historismus bis zum Jugendstil. In: Architektur und bildende Kunst im Baltikum um 1900. Frankfurt am Main, Berlin, Bern, Bruxelles, New York, Wien: Lang 1999. S. 173-192.

Approaches to lung cancer treatment using the CD3E x GP-2-directed bispecific monoclonal antibody BIS-1

NARCIS (Netherlands)

Kroesen, BJ; Nieken, J; Sleijfer, DT; Molema, G; deVries, EGE; Groen, HJM; Helfrich, W; The, TH; Mulder, NH; deLeij, L

1997-01-01

The bispecific monoclonal antibody (bsAb) BIS-1 combines a monoclonal-antibody(mAb)-defined specificity for the CD3 complex, as present on all T lymphocytes, with a mAb-defined specificity for the pancarcinoma/epithelium associated glycoprotein EGP-2. In vitro studies indicate that BIS-1 can direct

Diminished excretion of polyamines from BHK-21/C13 cells exposed to methylglyoxal bis(guanylhydrazone).

Science.gov (United States)

Melvin, M A; Keir, H M

1978-01-01

Methylglyoxal bis(guanylhydrazone) (1,1'-[methylethanediylidine)dinitrilo]diguanidine) inhibited the growth of BHK-21/C13 cells in monolayer cultures. Accumulation of spermidine and spermine was inhibited, whereas the accumulation of putrescine was increased. The intracellular spermidine/spermine molar ratio decreased conly slightly after exposure of the cells to 20 micrometer-methylglyoxal bis(guanylhydrazone) for 1 day. Cells incubated in the presence of the drug released less polyamine into the culture medium that did control cells, the polyamine released consisting almost exclusively of spermidine, both free and as a conjugated form. PMID:697761

Translation and cultural adaptation of Barratt Impulsiveness Scale (BIS-11) for administration in Brazilian adults

OpenAIRE

Malloy-Diniz, Leandro Fernandes; Mattos, Paulo; Leite, Wellington Borges; Abreu, Neander; Coutinho, Gabriel; Paula, Jonas Jardim de; Tavares, Hermano; Vasconcelos, Alina Gomide; Fuentes, Daniel

2010-01-01

OBJETIVOS: Os objetivos deste estudo foram traduzir, adaptar culturalmente e verificar a equivalência literal, semântica e idiomática da Barratt Impulsiveness Scale (BIS-11), que avalia a presença de manifestações da impulsividade tendo como base o modelo teórico proposto por Ernst Barratt. MÉTODOS: Inicialmente, a versão original em inglês da BIS-11 foi traduzida para o português por seis pesquisadores bilíngues. Em seguida, foi realizada uma tradução reversa para o inglês por uma tradutora ...

Bis-spirochromanones as potent inhibitors of Mycobacterium tuberculosis: synthesis and biological evaluation.

Science.gov (United States)

Dongamanti, Ashok; Aamate, Vikas Kumar; Devulapally, Mohan Gandhi; Gundu, Srinivas; Balabadra, Saikrishna; Manga, Vijjulatha; Yogeeswari, Perumal; Sriram, Dharmarajan; Balasubramanian, Sridhar

2017-11-01

On the basis of reported antimycobacterial property of chroman-4-one pharmacophore, a series of chemically modified bis-spirochromanones were synthesized starting from 2-hydroxyacetophenone and 1,4-dioxaspiro[4.5] decan-8-one using a Kabbe condensation approach. The synthesized bis-spirochromanones were established based on their spectral data and X-ray crystal structure of 6e. All synthesized compounds were evaluated against Mycobacterium tuberculosis H37Rv (ATCC 27294) strain, finding that some products exhibited good antimycobacterial activity with minimum inhibitory concentration as low as [Formula: see text]. Docking studies were carried out to identify the binding interactions of compounds II, 6a and 6n with FtsZ. Compounds exhibiting good in vitro potency in the MTB MIC assay were further evaluated for toxicity using the HEK cell line.

Bis(pyrrolo)tetrathiafulvalene - An Efficient Pi-Donor in Supramolecular Chemistry

DEFF Research Database (Denmark)

Lau, Jesper; Nielsen, Mogens Brøndsted; Thorup, Niels

1999-01-01

The synthesis of three novel macrocycles 3-5 based on the two electron donors bis(2,5-dimethyl- pyrrolo)[3,4-d]tetrathiafulvalene (1) and 1,4-hydroquinone is presented. Their abilities to include the electron acceptor paraquat (6) have been investigated by UV/Vis and sup 1 H NMR spectroscopy and ...

The differences of saliva pH before and after application of Bis-GMA resin based-pit and fissure sealant

Directory of Open Access Journals (Sweden)

Ayub Irmadani Anwar

2016-06-01

Full Text Available Pit and fissure sealant applications is one way to prevent caries. One of the effective ingredient as a pit and fissure sealant is a Bis-GMA resin. One of the active components  of  Bis-GMA  resin  is  sodium  fluoride,  which is capable  of releasing fluoride ions to the tooth surface and able to improve the repair and remineralization process through the replacement  of  calcium and phosphate ions found in saliva to increase the pH of saliva. This study was to determine the effect of pit and fissure sealant applications made from Bis-GMA resin to pH of saliva in children aged 6-12 years. The study design is pre and post test with control group design. Saliva samples were derived from 15 pediatric patients has met the criteria. The pH of saliva were taken before and after the application of pit and fissure sealant made from Bis-GMA and measured with pH meter. This study used a non-parametric test, the Wilcoxon Signed Rank test. The results of this study are also supported by the results of statistical tests showed p-: 0.005 (p<0.05 value, which means that there are significant differences in pH of saliva before and after the application of pit and fissure sealant made from Bis-GMA resin.

Crystal structures of bis(phenoxysilicon phthalocyanines: increasing π–π interactions, solubility and disorder and no halogen bonding observed

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Benoît H. Lessard

2016-07-01

Full Text Available We report the syntheses and characterization of three solution-processable phenoxy silicon phthalocyanines (SiPcs, namely bis(3-methylphenoxy(phthalocyaninesilicon [(3MP2-SiPc], C46H30N8O2Si, bis(2-sec-butylphenoxy(phthalocyaninesilicon [(2secBP2-SiPc], C44H24I2N8O2Si, and bis(3-iodophenoxy(phthalocyaninesilicon [(3IP2-SiPc], C52H42N8O2Si. Crystals grown of these compounds were characterized by single-crystal X-ray diffraction and the π–π interactions between the aromatic SiPc cores were studied. It was determined that (3MP2-SiPc has similar interactions to previously reported bis(3,4,5-trifluorophenoxysilicon phthalocyanines [(345 F2-SiPc] with significant π–π interactions between the SiPc groups. (3IP2-SiPc and (2secBP2-SiPc both experienced a parallel stacking of two of the peripheral aromatic groups. In all three cases, the solubility of these molecules was increased by the addition of phenoxy groups while maintaining π–π interactions between the aromatic SiPc groups. The solubility of (2secBP2-SiPc was significantly higher than other bis-phenoxy-SiPcs and this was exemplified by the higher observed disorder within the crystal structure.

Transition metal complexes of oxazolinylboranes and cyclopentadienyl-bis(oxazolinyl)borates: Catalysts for asymmetric olefin hydroamination and acceptorless alcohol decarbonylation

Energy Technology Data Exchange (ETDEWEB)

Manna, Kuntal [Ames Lab., Ames, IA (United States)

2012-12-17

The research presented and discussed in this dissertation involves the synthesis of transition metal complexes of oxazolinylboranes and cyclopentadienyl-bis(oxazolinyl)borates, and their application in catalytic enantioselective olefin hydroamination and acceptorless alcohol decarbonylation. Neutral oxazolinylboranes are excellent synthetic intermediates for preparing new borate ligands and also developing organometallic complexes. Achiral and optically active bis(oxazolinyl)phenylboranes are synthesized by reaction of 2-lithio-2-oxazolide and 0.50 equiv of dichlorophenylborane. These bis(oxazolinyl)phenylboranes are oligomeric species in solid state resulting from the coordination of an oxazoline to the boron center of another borane monomer. The treatment of chiral bis(oxazolinyl)phenylboranes with sodium cyclopentadienide provide optically active cyclopentadienyl-bis(oxazolinyl)borates H[PhB(C₅H₅)(Ox^R)₂] [Ox^R = Ox^4S-iPr,Me2, Ox^4R-iPr,Me2, Ox^4S-tBu]. These optically active proligands react with an equivalent of M(NMe₂)₄ (M = Ti, Zr, Hf) to afford corresponding cyclopentadienyl-bis(oxazolinyl)borato group 4 complexes {PhB(C₅H₄)(Ox^R)₂}M(NMe₂)₂ in high yields. These group 4 compounds catalyze cyclization of aminoalkenes at room temperature or below, providing pyrrolidine, piperidine, and azepane with enantiomeric excesses up to 99%. Our mechanistic investigations suggest a non-insertive mechanism involving concerted C-N/C-H bond formation in the turnover limiting step of the catalytic cycle. Among cyclopentadienyl-bis(oxazolinyl)borato group 4 catalysts, the zirconium complex {PhB(C₅H₄)(Ox4^S-iPr,Me2)₂}Zr(NMe₂)₂ ({S-2}Zr(NMe₂)₂) displays highest activity and enantioselectivity. Interestingly, _S-2

A two-dimensional zinc(II) coordination polymer based on mixed dimethyl succinate and bipyridine ligands: synthesis, structure, thermostability and luminescence properties.

Science.gov (United States)

Liu, Yang; Feng, Yong Lan; Fu, Wei Wei

2016-04-01

From the viewpoint of crystal engineering, the construction of crystalline polymeric materials requires a rational choice of organic bridging ligands for the self-assembly process. Multicarboxylate ligands are of particular interest due to their strong coordination activity towards metal ions, as well as their various coordination modes and versatile conformations. The structural chemistry of dicarboxylate-based coordination polymers of transition metals has been developed through the grafting of N-containing organic linkers into carboxylate-bridged transition metal networks. A new luminescent two-dimensional zinc(II) coordination polymer containing bridging 2,2-dimethylsuccinate and 4,4'-bipyridine ligands, namely poly[[aqua(μ2-4,4'-bipyridine-κ(2)N:N')bis(μ3-2,2-dimethylbutanedioato)-κ(4)O(1),O(1'):O(4):O(4');κ(5)O(1):O(1),O(4):O(4),O(4')-dizinc(II)] dihydrate], {[Zn2(C6H8O4)2(C10H8N2)(H2O)]·2H2O}n, has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction and elemental, IR and thermogravimetric analyses. In the structure, the 2,2-dimethylsuccinate ligands link linear tetranuclear Zn(II) subunits into one-dimensional chains along the c axis. 4,4'-Bipyridine acts as a tethering ligand expanding these one-dimensional chains into a two-dimensional layered structure. Hydrogen-bonding interactions between the water molecules (both coordinated and free) and carboxylate O atoms strengthen the packing of the layers. Furthermore, the luminescence properties of the complex were investigated. The compound exhibits a blue photoluminescence in the solid state at room temperature and may be a good candidate for potential hybrid inorganic-organic photoactive materials.

Bis[1-(3-cyanobenzylpyridinium] bis(1,2-dicyanoethene-1,2-dithiolatonickelate(II

Directory of Open Access Journals (Sweden)

Hai-Bao Duan

2011-01-01

Full Text Available In the ionic title complex, (C13H11N22[Ni(C4N2S22], the NiII ion is located on an inversion centre so the asymmetric unit contains one-half [Ni(mnt2]2− dianion (mnt2− is maleonitriledithiolate and one 1-(3-cyanobenzylpyridinium cation ([CNBzPy]+. The NiII ion in the [Ni(mnt2]2− anion is coordinated by four S atoms of two mnt2− ligands, and exhibits square-planar coordination geometry. In the [CNBzPy]+ cation, the benzene and pyridine rings are twisted with respect to the C/C/N plane incorporating the methylene C atom that links them. The crystal structure is stabilized by Coulombic interactions.