Search results for "Complexes"

showing 10 items of 875 documents

Two copper complexes from two novel naphthalene-sulfonyl-triazole ligands: different nuclearity and different DNA binding and cleavage capabilities.

2013

[EN] Two novel naphthalene-sulfonyl-triazole ligands, 5-amino-N1-(naphthalen-3-ylsulfony1)-1,2,4-triazole (anstrz) and 3,5-diamino-N1-(naphthalen-3-ylsulfony1)-1,2,4-triazole (danstrz), purposely designed to interact with DNA, have been prepared for the first time and then fully characterized by H-1, C-13 NMR and IR spectroscopy, mass spectrometry and elemental analysis. The crystal structures of two copper complexes of these derivatives, i.e. [Cu(anstrz)(4)(NO3)(2)]center dot 4CH(3)OH (1), mononuclear, and [Cu(danstrz)(mu-OAc)(2)](2)center dot 2(danstrz) (OAc = acetato) (2), dinuclear, have been determined by single-crystal X-ray diffraction. In both cases the ligand coordinates in a monod…

Models MolecularDenticity124-Triazole ligandsStereochemistryTriazolePaddle wheel type copper acetate compoundCrystal structureNaphthalenesCrystallography X-RayLigandsBiochemistryInorganic Chemistrychemistry.chemical_compoundX-Ray DiffractionCoordination ComplexesBIOQUIMICA Y BIOLOGIA MOLECULARSulfonesBinding siteDNA CleavageCu(II)-triazole complexesBond cleavageNuclease activitySulfonylchemistry.chemical_classificationSulfonamidesBinding SitesDeoxyribonucleasesChemistryLigandDNATriazolesBinding constantDNA interactionCrystallographyCopperJournal of inorganic biochemistry
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Antiferromagnetic porous metal-organic framework containing mixed-valence [Mn(II)4Mn(III)2(μ4-O)2]10+ units with catecholase activity and selective g…

2012

A multifunctional porous metal organic framework based on mixed-valence hexa-nuclear [Mn(III)(2)Mn(II)(4)O(2)(pyz)(2)(C(6)H(5)CH(2)COO)(10)] (pyz = pyrazine) units has been synthesized. The complex has been characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis, and variable-temperature magnetic measurements. The structural analysis reveals that the bidentate pyz molecules connect each [Mn(6)] unit to its four [Mn(6)] neighbors through the peripheral Mn(II) centers, giving rise to a three-dimensional (3D) distorted diamond-like porous framework. Variable-temperature (2-300 K) magnetic susceptibility measurements show the presence of dominant antiferr…

Models MolecularDenticityAcetonitrilesPyrazineStereochemistryCatecholsInfrared spectroscopyCrystallography X-RayInorganic Chemistrychemistry.chemical_compoundCoordination ComplexesAntiferromagnetismMoleculePhysical and Theoretical ChemistryAcetonitrileManganeseValence (chemistry)Molecular StructureChemistryHydrolysisMagnetic PhenomenaTemperatureCarbon DioxideMagnetic susceptibilityCrystallographyKineticsPyrazinesAdsorptionGasesOxidation-ReductionPorosityInorganic chemistry
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Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

2018

Three new tetranuclear iron(III) and zinc(II) complexes, [Fe4(cpdp)2(phth)2(OH)2]·8H2O (1), [Fe4(cpdp)2(terephth)2(OH)2] (2), and [Zn4(Hcpdp)2(suc)]Br2·12H2O (3), have been synthesized as models for the active site of phosphoester hydrolases by utilizing a polydentate ligand, N, N'-bis[2-carboxybenzomethyl]- N, N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (H3cpdp) in combination with exogeneous phthalate (phth), terephthalate (terephth), and succinate (suc). Single crystal X-ray analyses reveal that the metallic core of complex 1 consists of four distorted octahedral iron(III) ions with average intraligand Fe---Fe separation of 3.656(2) A, while the structure 3 represents a tetranuclear m…

Models MolecularDenticityIronDimerchemistry.chemical_elementZincCrystallography X-Ray010402 general chemistry01 natural sciencesMass SpectrometryInorganic Chemistrychemistry.chemical_compoundDrug StabilityCoordination ComplexesCatalytic DomainMoleculePhysical and Theoretical Chemistrybiology010405 organic chemistryLigandChemistryActive siteHydrogen-Ion ConcentrationPhosphoric Monoester Hydrolases0104 chemical sciencesSolutionsZincCrystallographyTrigonal bipyramidal molecular geometryOctahedronbiology.proteinQuantum TheoryInorganic Chemistry
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Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids

2013

Solution and solid state studies on Cu(II) complexes of pyridine-2-hydroxamic acid (HPicHA) and pyridine-2,6-dihydroxamic acid (H2PyDHA) were carried out. The use of methanol/water solvent allowed us to investigate the Cu(II)-HPicHA equilibria under homogeneous conditions between pH 1 and 11. In agreement with ESI-MS indication, the potentiometric data fitted very well with the model usually reported for copper(II) complexes of α-aminohydroxamate complexes ([CuL](+), [Cu5(LH-1)4](2+), [CuL2], [CuL2H-1](-)), however with much higher stability of the 12-MC-4 species. A series of copper(II) complexes has been isolated in the solid state and characterized by a variety of spectroscopic methods, …

Models MolecularDenticityPyridinesPotentiometric titrationInorganic chemistrychemistry.chemical_elementCrystallography X-RayHydroxamic AcidsMedicinal chemistryMagnetic susceptibilityCopperInorganic ChemistrySolventchemistry.chemical_compoundchemistryCoordination ComplexesPyridineChelationMethanolProtonsPhysical and Theoretical Chemistryta116CopperInorganic Chemistry
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Translocation versus cyclisation in radicals derived from N-3-alkenyl trichloroacetamides

2011

Under radical reaction conditions, two different and competitive reaction pathways were observed for N-(alpha-methylbenzyl)trichloroacetamides with a N-3-cyclohexenyl substituent: 1,4-hydrogen translocation and radical addition to a double bond. However, for radicals with an acyclic alkenyl side chain, the direct cyclisation process was exclusively observed. The dichotomy between translocation and direct radical cyclisation in these substrates has been theoretically studied using density functional theory (DFT) methods at the B3LYP/6-31G** computational level.

Models MolecularFree RadicalsDouble bondStereochemistryRadicalSubstituentChromosomal translocationAlkenesBiochemistryPolarizable continuum modelchemistry.chemical_compoundQUIMICA ORGANICAAcetamidesQUIMICA ANALITICASide chainMoleculeTOOLChloroacetatesTrichloroacetic AcidPhysical and Theoretical ChemistryAMIDESchemistry.chemical_classificationMolecular StructureChemistryOrganic ChemistryCOPPER-COMPLEXESCyclizationPOLARIZABLE CONTINUUM MODELDensity functional theory
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Aminobisphenolate supported tungsten disulphido and dithiolene complexes

2015

Dioxotungsten(vi) complexes with tetradentate amino bisphenolates were converted into the corresponding Cs-symmetric amino bisphenolate disulphido complexes by a reaction with either Lawesson's reagent or P2S5. Further reaction with diethyl acetylenedicarboxylate leads to the formation of diamagnetic tungsten(iv) dithiolene compounds. The syntheses, crystal structures, spectroscopic and electrochemical characterization of such disulphido and dithiolene complexes are presented.

Models MolecularInorganic chemistryMolecular Conformationchemistry.chemical_elementOxidestungsten disulphidoCrystal structureSulfidesTungstenElectrochemistryTungstenInorganic ChemistryDiethyl acetylenedicarboxylatechemistryReagentPolymer chemistryElectrochemistryHydroxybenzoatesOrganometallic Compoundsdithiolene complexesta116Dalton Transactions
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Electrical Conductivity and Luminescence in Coordination Polymers Based on Copper(I)-Halides and Sulfur-Pyrimidine Ligands

2011

The solvothermal reactions between pyrimidinedisulfide (pym(2)S(2)) and CuI or CuBr(2) in CH(2)Cl(2):CH(3)CN lead to the formation of [Cu(11)I(7)(pymS)(4)](n) (pymSH = pyrimidine-2(1H)-thione) (1) and the dimer [Cu(II)(μ-Br)(Br)L](2) (L = 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde) (2). In the later reaction, there is an in situ S-S, S-C(sp(2)), and C(sp(2))-N multiple bond cleavage of the pyrimidinedisulfide resulting in the formation of 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carbaldehyde. Interestingly, similar reactions carried out just with a change in the solvent (H(2)O:CH(3)CN instead of CH(2)Cl(2):CH(3)CN) give rise to the formation of coordination polymers with rather diffe…

Models MolecularLuminescencePyrimidinePolymersDimerInorganic chemistryElectric ConductivityHalidechemistry.chemical_elementSulfidesCrystallography X-RayLigandsSulfurCopperInorganic ChemistrySolventchemistry.chemical_compoundPyrimidineschemistryCoordination ComplexesPolymer chemistryPhysical and Theoretical ChemistryLuminescenceCopperBond cleavageInorganic Chemistry
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Luminescent alkynyl-gold(i) coumarin derivatives and their biological activity

2013

The synthesis and characterization of three propynyloxycoumarins are reported in this work together with the formation of three different series of gold(i) organometallic complexes. Neutral complexes are constituted by water soluble phosphines (PTA and DAPTA) which confer water solubility to them. The X-ray crystal structure of 7-(prop-2-in-1-yloxy)-1-benzopyran-2-one and its corresponding dialkynyl complex is also shown and the formation of rectangular dimers for the gold derivative in the solid state can be observed. A detailed analysis of the absorption and emission spectra of both ligands and complexes allows us to attribute the luminescent behaviour to the coumarin organic ligand. More…

Models MolecularLuminescenceThioredoxin-Disulfide ReductasePhosphinesAntineoplastic AgentsCrystal structureCrystallography X-RayPhotochemistryInorganic ChemistryMetalchemistry.chemical_compoundCoumarinsCell Line TumorNeoplasmsPolymer chemistryHumansPropynyloxycoumarins; Gold(I) complexes; X-ray crystallography; Luminiscence; Biological activityta116Aqueous solutionLigandWaterBiological activityCoumarinSolubilitychemistryvisual_artvisual_art.visual_art_mediumDrug Screening Assays AntitumorLuminescencePhosphorescenceOrganogold CompoundsDalton Trans.
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Imidazolate bridged Cu(II)-Cu(II) and Cu(II)-Zn(II) complexes of a terpyridinophane azamacrocycle: a solution and solid state study.

2007

The dinuclear Cu2+ and Zn2+ as well as the mixed Cu2+-Zn2+ complexes of a 5,5''-pentaazaterpyridinophane ligand (L) are able to incorporate imidazolate (Im-) as a bridging ligand. The crystal structure of [Cu(2)L(Im)(Br)(H2O)](CF(3)SO(3))(2).3H2O (1) shows one copper coordinated by the three pyridine nitrogens of the terpyridine unit, one nitrogen of the imidazolate bridge (Im-) and one bromide anion occupying the axial position of a distorted square pyramid. The second copper atom is coordinated by the remaining imidazolate nitrogen, the three secondary nitrogens at the centre of the polyamine bridge and one water molecule that occupies the axial position. Magnetic measurements have been p…

Models MolecularMacrocyclic CompoundsMagnetic Resonance SpectroscopyPyridinesInorganic chemistrychemistry.chemical_elementCrystal structureCrystallography X-RayLigandsInorganic Chemistrychemistry.chemical_compoundMagneticsImidazolateElectrochemistryOrganometallic CompoundsImidazoleAza CompoundsMolecular StructureChemistryLigandSuperoxide DismutaseImidazolesTemperatureBridging ligandHydrogen-Ion ConcentrationCopperEnzyme ActivationSolutionsCrystallographyZincStability constants of complexesTerpyridineCopperDalton transactions (Cambridge, England : 2003)
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Remarkable Inertness of Copper(II) Chelates of Cyclen-Based Macrobicycles with Two trans-N-Acetate Arms

2013

Two cross-bridged cyclen-based macrocycles with two trans-N-acetic acid arms, one having a dibenzofuran (DBF) moiety as the bridge, H2L1, and the other a diphenyl ether (DPE) one, H2L2, were synthesized. Both compounds behave as "proton sponges." The thermodynamic stability constants for the Cu(2+), Zn(2+), Al(3+), and Ga(3+) complexes of both compounds were determined. They exhibit an excellent thermodynamic selectivity for copper(II), ensuring that metal ions largely present in the human body do not interfere with the copper(II) chelates. All complexes are very slow to form, and [CuL2] and [CuL1] are extremely inert to demetallate, especially [CuL2]. The acid-assisted dissociation of [CuL…

Models MolecularMacrocyclic CompoundsStereochemistrychemistry.chemical_elementAcetatesCrystallography X-RayCyclamsInorganic Chemistrychemistry.chemical_compoundCyclenCoordination ComplexesHeterocyclic CompoundsPolymer chemistryMoietyChelationPhysical and Theoretical ChemistryBenzofuransChelating AgentsChemistryPhenyl EthersSpectrum AnalysisDiphenyl etherCopperDibenzofuranThermodynamicsCopperInorganic Chemistry
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