Search results for "COPP"

showing 10 items of 3147 documents

Functional superoxide dismutase mimics. Structural characterization and magnetic exchange interactions of copper(II)-N-substituted sulfonamide dimer …

2004

Dinuclear copper(II) complexes with N-substituted sulfonamide ligands as superoxide dismutase (SOD) mimics have been investigated. The new N-(thiazol-2-yl)toluenesulfonamide (Htz-tol) and N-(thiazol-2-yl)naphthalenesulfonamide (Htz-naf) ligands have been prepared and structurally characterized. The complexes derived from these ligands, [Cu(2)(tz-tol)(4)] (1) and [Cu(2)(tz-naf)(4)] (2), have been synthesized, and their crystal structure, magnetic properties, and EPR spectra were studied in detail. In both compounds the metal centers are bridged by four nonlinear triatomic NCN groups. The coordination geometry of the coppers in the dinuclear entity of 1 and 2 is distorted square planar with t…

Models MolecularStereochemistryDimerMolecular Conformationchemistry.chemical_elementCrystal structureCrystallography X-RayLigandslaw.inventionInorganic Chemistrychemistry.chemical_compoundMagneticslawOrganometallic CompoundsMoleculePhysical and Theoretical ChemistryElectron paramagnetic resonanceCoordination geometrychemistry.chemical_classificationMolecular StructureChemistrySuperoxide DismutaseMolecular MimicryElectron Spin Resonance SpectroscopyCopperMagnetic susceptibilitySulfonamideCrystallographyAlgorithmsCopperInorganic chemistry
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Rare Example of μ-Nitrito-1κ2O,O′:2κO Coordinating Mode in Copper(II) Nitrite Complexes with Monoanionic Tridentate Schiff Base Ligands: Structure, M…

2008

Three new copper(II) complexes, [CuL(1)(NO(2))](n) (1), [CuL(2)(NO(2))] (2), and [CuL(3)(NO(2))] (3), with three similar tridentate Schiff base ligands [HL(1) = 6-amino-3-methyl-1-phenyl-4-azahept-2-en-1-one, HL(2) = 6-amino-3-methyl-1-phenyl-4-azahex-2-en-1-one, and HL(3) = 6-diethylamino-3-methyl-1-phenyl-4-azahex-2-en-1-one] have been synthesized and characterized structurally and magnetically. In all three complexes, the tridentate Schiff base ligand and one oxygen atom of the nitrite ion constitute the equatorial plane around Cu(II), whereas the second oxygen atom of the nitrite ligand coordinates to one of the axial positions. In 1, this axially coordinated oxygen atom of the nitrite …

Models MolecularStereochemistryMolecular Conformationchemistry.chemical_elementCrystallography X-RayLigandsElectrochemistryIonInorganic ChemistryMagneticschemistry.chemical_compoundElectrochemistryPhysical and Theoretical ChemistryNitriteNitritesSchiff BasesSchiff baseLigandIntermolecular forceNitro CompoundsCopperOxygenCrystallographyMonomerchemistryThermodynamicsCopperInorganic Chemistry
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Pyrophosphate-mediated magnetic interactions in Cu(II) coordination complexes.

2010

The reaction in water of Cu(NO(3))(2)·2.5H(2)O with 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen), or 1,10-phenanthroline-5-amine (phenam), and sodium pyrophosphate (Na(4)P(2)O(7)), at various pHs, afforded three new copper(II)-pyrophosphate complexes, namely, {[Cu(bipy)(cis-H(2)P(2)O(7))](2)}·3H(2)O (1a), {[Cu(phen)(H(2)O)](4)(HP(2)O(7))(2)}(ClO(4))(2)·4H(2)O (2), and {[Cu(2)(phenam)(2)(P(2)O(7))](2)·25H(2)O}(n) (3). A solvent free crystalline phase of 1a was also isolated with formula {[Cu(bipy)(trans-H(2)P(2)O(7))](2)} (1b), which can be regarded as a pseudo-polymorph of 1a. Single crystal X-ray analyses revealed these compounds to have uncommon molecular architectures, with 3 being…

Models MolecularStereochemistryPolymersSodiumchemistry.chemical_elementCrystallography X-RayPyrophosphateInorganic Chemistrychemistry.chemical_compoundMagneticsStructure-Activity Relationship22'-DipyridylCoordination ComplexesMoleculePhysical and Theoretical ChemistryMathematical ComputingSolvent freeMolecular StructureCationic polymerizationHydrogen-Ion ConcentrationCopperDiphosphatesCrystallographychemistryThermodynamicsSingle crystalDimerizationCopperPhenanthrolinesInorganic chemistry
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Hydrogen and copper ion-induced molecular reorganizations in scorpionand-like ligands. A potentiometric, mechanistic, and solid-state study.

2007

Two aza scorpionand-like macrocycles (L2 and L3) have been prepared. L2 consists of a tren amine with two of its arms cyclizized with a 2,6-bis(bromomethyl)pyridine. In L3, the remaining pendant arm has been further functionalized with a fluorophoric naphthalene group. X-ray data on the compounds [H(L3)]ClO4.H2O (1) and [H3(L3)](H2PO4)3.H2O (2) as well as solution studies (pH-metry, UV-vis, and fluorescence data) show the movement of the pendant arm as a result of the protonation degree of the macrocycles and of the formation of intramolecular hydrogen bonds. X-ray data on the complexes [Cu(L2)](ClO4)2]2.H2O (3) and [Cu(L3)](ClO4)2 (4) and solution studies on Cu2+ coordination show the impl…

Models MolecularStereochemistryPotentiometric titrationProtonationLigandsInorganic ChemistryMetalchemistry.chemical_compoundX-Ray DiffractionPyridinePolymer chemistryMoleculePhysical and Theoretical ChemistryIonsMolecular StructureHydrogen bondWaterHydrogen-Ion ConcentrationPhosphorus AcidsKineticschemistryvisual_artIntramolecular forcevisual_art.visual_art_mediumPotentiometryAmine gas treatingCopperHydrogenInorganic chemistry
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An "S"-shaped pentanuclear CuII cluster derived from the metal-assisted hydrolysis of pyCOpyCOpy: structural, magnetic and spectroscopic studies.

2007

Reaction of [Cu2(O2CMe)4(H2O)2] with 2,6-di-(2-pyridylcarbonyl)-pyridine (pyCOpyCOpy or dpcp) in MeCN–H2O 10 : 1, led to the pentanuclear copper(II) complex [Cu5(O2CMe)6{pyC(O)(OH)pyC(O)(OH)py}2] (1) which crystallizes in the triclinic P space group. The copper(II) atoms are arranged in an “S”-shaped configuration, and are bridged by the doubly deprotonated bis(gem-diol) form of the ligand, pyC(O)(OH)pyC(O)(OH)py2−. Magnetic susceptibility data indicate the interplay of both ferro- and antiferromagnetic intramolecular interactions stabilizing an S = 3/2 ground state. Fitting of the data according to a next-nearest-neighbour model {Ĥ = −[J1(Ŝ1Ŝ2 + Ŝ1′Ŝ2′) + J2(Ŝ2Ŝ3 + Ŝ3′Ŝ2′) + J3(Ŝ1Ŝ3 + Ŝ3′Ŝ…

Models MolecularStereochemistryPyridineschemistry.chemical_elementTriclinic crystal systemCrystallography X-Raylaw.inventionInorganic ChemistryMagneticsDeprotonationlawOrganometallic CompoundsElectron paramagnetic resonanceMolecular StructureLigandHydrolysisSpectrum AnalysisHydrogen BondingCopperMagnetic susceptibilityCrystallographychemistryModels ChemicalIntramolecular forceGround stateCopperDalton transactions (Cambridge, England : 2003)
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Two Novel Ternary Dicopper(II) μ-Guanazole Complexes with Aromatic Amines Strongly Activated by Quantum Dots for DNA Cleavage

2013

Two novel (μ-guanazole)-bridged binuclear copper(II) complexes with 1,10-phenanthroline (phen) or 2,2'-bipyridine (bipy), [Cu2(μ-N2,N4-Hdatrz)(phen)2(H2O)(NO3)4] (1) and [Cu2(μ-N1,N2-datrz)2(μ-OH2)(bipy)2](ClO4)2 (2) (Hdatrz = 3,5-diamino-1,2,4-triazole = guanazole), have been prepared and characterized by X-ray diffraction, spectroscopy, and susceptibility measurements. Compounds 1 and 2 differ in the aromatic amine, which acts as a coligand, and in the Cu···Cu'-bridging system. Compound 1, which contains two mono-bridged copper ions, represents the first example of a discrete Cu-(NCN-trz)-Cu' complex. Compound 2, with two triply bridged copper ions, is one of the few compounds featuring a…

Models MolecularStereochemistryTriazolechemistry.chemical_elementSulfidesCrystallography X-RayCleavage (embryo)Inorganic Chemistrychemistry.chemical_compoundGuanazoleQuantum DotsCadmium CompoundsOrganometallic CompoundsMoleculeAminesDNA CleavagePhysical and Theoretical ChemistrySelenium CompoundsGroup 2 organometallic chemistrychemistry.chemical_classificationMolecular StructureAromatic amineDNAFluorescenceCopperCrystallographychemistryZinc CompoundsTernary operationCopper
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Synthesis, in vitro activity, and three-dimensional quantitative structure-activity relationship of novel hydrazine inhibitors of human vascular adhe…

2010

Vascular adhesion protein-1 (VAP-1) belongs to the semicarbazide-sensitive amine oxidases (SSAOs) that convert amines into aldehydes. SSAOs are distinct from the mammalian monoamine oxidases (MAOs), but their substrate specificities are partly overlapping. VAP-1 has been proposed as a target for anti-inflammatory drug therapy because of its role in leukocyte adhesion to endothelium. Here, we describe the synthesis and in vitro activities of novel series of VAP-1 selective inhibitors. In addition, the molecular dynamics simulations performed for VAP-1 reveal that the movements of Met211, Ser496, and especially Leu469 can enlarge the ligand-binding pocket, allowing larger ligands than those s…

Models MolecularSubstrate SpecificitiesQuantitative structure–activity relationshipMolecular ConformationQuantitative Structure-Activity RelationshipMolecular Dynamics SimulationLigandsMolecular dynamicsCricetulusCricetinaeDrug DiscoveryAnimalsHumansMonoamine OxidaseBinding SitesChemistryStereoisomerismIn vitrorespiratory tract diseasesRatsMonoamine neurotransmitterHydrazinesBiochemistryDocking (molecular)Molecular MedicineAmine gas treatingAmine Oxidase (Copper-Containing)Cell Adhesion MoleculesVASCULAR ADHESION PROTEIN 1Protein BindingJournal of medicinal chemistry
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Electrical conductivity and strong luminescence in copper Iodide double chains with isonicotinato derivatives

2015

Direct reactions between CuI and isonicotinic acid (HIN) or the corresponding esters, ethyl isonicotinate (EtIN) or methyl isonicotinate (MeIN), give rise to the formation of the coordination polymers [CuI(L)] with L=EtIN (1), MeIN (2) and HIN (3). Polymers 1-3 show similar structures based on a CuI double chain in which ethyl-, methyl isonicotinate or isonicotinic acid are coordinated as terminal ligands. Albeit, their supramolecular architecture differs considerably, affecting the distances and angles of the central CuI double chains and thereby their physical properties. Hence, the photoluminescence shows remarkable differences; 1 and 2 show a strong yellow emission, whereas 3 displays a…

Models MolecularThermogravimetric analysisPhotoluminescenceLuminescencePolymersInorganic chemistrySupramolecular chemistrychemistry.chemical_elementConductivityIsonicotinic acidLigandsNiacinCatalysisCopper iodidechemistry.chemical_compoundCoordination ComplexesElectrical conductivityCarboxylateMolecular StructureStructure elucidationOrganic ChemistryElectric ConductivityGeneral ChemistryIodidesCopperCoordination polymersCrystallographychemistryLuminescenceCopper
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Equilibrium, Kinetic, and Computational Studies on the Formation of Cu2+ and Zn2+ Complexes with an Indazole-Containing Azamacrocyclic Scorpiand: Evi…

2015

Cu(2+) and Zn(2+) coordination chemistry of a new member of the family of scorpiand-like macrocyclic ligands derived from tris(2-aminoethyl)amine (tren) is reported. The new ligand (L1) contains in its pendant arm not only the amine group derived from tren but also a 6-indazole ring. Potentiometric studies allow the determination of four protonation constants. UV-vis and fluorescence data support that the last protonation step occurs on the indazole group. Equilibrium measurements in the presence of Cu(2+) and Zn(2+) reveal the formation of stable [ML1](2+), [MHL1](3+), and [ML1(OH)](+) complexes. Kinetic studies on the acid-promoted decomposition of the metal complexes were carried out usi…

Models Molecularchemistry.chemical_classificationAza CompoundsIndazoleIndazolesMacrocyclic CompoundsMolecular StructureLigandPotentiometric titrationProtonationPhotochemistryMedicinal chemistryTautomerCoordination complexInorganic ChemistryKineticsZincchemistry.chemical_compoundchemistryOrganometallic CompoundsQuantum TheoryMoleculeAmine gas treatingPhysical and Theoretical ChemistryCopper
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Solid-State Aggregation of Metallacyclophane-Based MnIICuII One-Dimensional Ladders

2012

Two distinct one-dimensional (1) and two-dimensional (2) mixed-metal-organic polymers have been synthesized by using the "complex-as-ligand" strategy. The structure of 1 consists of isolated ladderlike Mn(II)(2)Cu(II)(2) chains separated from each other by neutral Mn(II)(2) dimers, whereas 2 possesses an overall corrugated layer structure built from additional coordinative interactions between adjacent Mn(II)(2)Cu(II)(2) ladders. Interestingly, 1 and 2 show overall ferri- and antiferromagnetic behavior, respectively, as a result of their distinct crystalline aggregation in the solid state.

Models Molecularchemistry.chemical_classificationManganeseMolecular StructureTemperatureSolid-statePolymerCrystallography X-RayInorganic ChemistryCrystallographychemistryOrganometallic CompoundsAntiferromagnetismPhysical and Theoretical ChemistryLayer (electronics)CopperInorganic Chemistry
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