Search results for "COPP"

showing 10 items of 3147 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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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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A Unique Discrete Tetranuclear Cu′–Cu(N-N)2Cu–Cu′ Copper(II) Complex, Built from a μ3-1,2,4-Triazolato-μ-carboxylato Ligand, as an Effective DNA Clea…

2012

The title compound, characterized by means of an X-ray structure analysis, represents an easy example of a noncatena "1 + 2 + 1" tetranuclear copper(II) μ(3)-triazolate compound. [Cu(4)(atc)(2)(dien)(4)(ClO(4))(2)](ClO(4))(2)·2H(2)O (1), where H(2)atc = 5-amino-l,2,4-triazole-3-carboxylic acid and dien = diethylenetriamine = 1,4,7-triazaheptane, contains two copper atoms linked by a double diazinic bridge, each of which is further connected to a third and fourth copper atom (Cu') through the triply bridging triazolato ring and the bidentate carboxylato group of the atc(2-) ligands. The copper-copper distances within the tetranuclear unit are Cu-Cu = 4.059 Å, Cu-Cu' = 5.686 and 6.370 Å, and …

Models MolecularDenticityStereochemistryCarboxylic Acidschemistry.chemical_elementCrystallography X-RayLigandsInorganic Chemistrychemistry.chemical_compoundDna cleavageOrganometallic CompoundsAntiferromagnetismMoleculeDNA CleavagePhysical and Theoretical ChemistryCoupling constantMolecular StructureLigandDNATriazolesCopperCrystallographychemistryDiethylenetriamineCopperPlasmidsInorganic Chemistry
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Syntheses, crystal structures, and oxidative DNA cleavage of some Cu(II) complexes of 5-amino-3-pyridin-2-yl-1,2,4-triazole

2004

Three new monomeric Cu(II) complexes of 5-amino-3-pyridin-2-yl-1,2,4-triazole (Hapt), [Cu(Hapt)(H(2)O)(2)(SO(4))] (1), [Cu(Hapt)(2)(H(2)O)(NO(3))](NO(3)) (2), and [Cu(Hapt)(2)(NCS-N)](NCS).H(2)O (3), have been prepared and characterized by single crystal X-ray diffraction. One distorted [CuN(2)O(2)+O(')] square-pyramidal (1), one distorted [CuN(3)O+N(')+O(')] octahedral (2), and one distorted [CuN(4)+N(')] intermediate between square-pyramidal and trigonal-bipyramidal (3) coordination configuration were found and are suggested to be due to the chelating nature of the ligand, which interacts with Cu(II) through the N4(triazole) and N(pyridine) atoms. Spectral properties of these chelates are…

Models MolecularDeoxyribonucleasesMolecular StructureStereochemistryDimethyl sulfoxideLigandSpectrum AnalysisMolecular Sequence Data124-TriazoleDNAFree Radical ScavengersCrystal structureTriazolesCrystallography X-RayBiochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundMonomerchemistryOctahedronSodium azideChelationOxidation-ReductionCopperJournal of Inorganic Biochemistry
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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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Comparison of Protective Effects against Reactive Oxygen Species of Mononuclear and Dinuclear Cu(II) Complexes with N-Substituted Benzothiazolesulfon…

2005

Copper(II) complexes of N-benzothiazolesulfonamides (HL1=N-2-(4-methylphenylsulfamoyl)-6-nitro-benzothiazole, HL2=N-2-(phenylsulfamoyl)-6-chloro-benzothiazole, and HL3=N-2-(4-methylphenylsulfamoyl)-6-chloro-benzothiazole) with ammonia have been synthesized and characterized. The crystal structures of the [Cu(L1)2(NH3)2].2MeOH, [Cu(L2)2(NH3)2], and [Cu(L3)2(NH3)2] compounds have been determined. Compounds and present a distorted square planar geometry. In both compounds the metal ion is coordinated by two benzothiazole N atoms from two sulfonamidate anions and two NH3 molecules. Complex is distorted square-pyramidal. The Cu(II) ion is linked to the benzothiazole N and sulfonamidate O atoms o…

Models MolecularFree RadicalsStereochemistrychemistry.chemical_elementSaccharomyces cerevisiaeCrystal structureIn Vitro TechniquesCrystallography X-RayMedicinal chemistryIonInorganic ChemistryMetalSuperoxide dismutaseStructure-Activity RelationshipAmmoniachemistry.chemical_compoundOrganometallic CompoundsMoleculeBenzothiazolesPhysical and Theoretical ChemistrySulfonamidesMolecular StructurebiologySuperoxide DismutaseCopperchemistryBenzothiazolevisual_artvisual_art.visual_art_mediumbiology.proteinCrystallizationReactive Oxygen SpeciesCopperInorganic Chemistry
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Characterization and metal-induced gene transcription of two new copper zinc superoxide dismutases in the solitary ascidian Ciona intestinalis

2013

Antioxidant enzymes are known to protect living organisms against the oxidative stress risk, also induced by metals. In the present study, we describe the purification and molecular characterization of two Cu,Zn superoxide dismutases (SODs), referred to as Ci-SODa and Ci-SODb, from Ciona intestinalis, a basal chordate widely distributed in temperate shallow seawater. The putative amino acid sequences were compared with Cu,Zn SODs from other metazoans and phylogenetic analyses indicate that the two putative Ci-SODs are more related to invertebrate SODs than vertebrate ones. Both phylogenetic and preliminary homology modeling analyses suggest that Ci-SODa and Ci-SODb are extracellular and int…

Models MolecularGene isoformHemocytesCiona intestinaliHealth Toxicology and MutagenesisIn silicoSettore BIO/05 - ZoologiaSuperoxide dismutaseAquatic ScienceGene Expression Regulation EnzymologicSuperoxide dismutaseOvarian FollicleConsensus sequenceAnimalsSUPEROXIDE-DISMUTASECiona intestinalisGeneCiona intestinalis; SUPEROXIDE-DISMUTASE; ascidiansPhylogenybiologyEcologyCadmium; Ciona intestinalis; Copper; Reactive oxygen species; Superoxide dismutase; ZincPromoterbiology.organism_classificationProtein Structure TertiaryCiona intestinalisascidiansCionaZincBiochemistryMetalsbiology.proteinReactive oxygen specieFemaleWater Pollutants ChemicalCopperCadmium
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An NMR view of the unfolding process of rusticyanin: Structural elements that maintain the architecture of a β-barrel metalloprotein

2005

The unfolding process of the blue copper protein rusticyanin (Rc) as well as its dynamic and D(2)O/H(2)O exchange properties in an incipient unfolded state have been studied by heteronuclear NMR spectroscopy. Titrations of apo, Cu(I), and Cu(II)Rc with guanidinium chloride (GdmCl) show that the copper ion stabilizes the folded species and remains bound in the completely unfolded state. The oxidized state of the copper ion is more efficient than the reduced form in this respect. The long loop of Rc (where the first ligand of the copper ion is located) is one of the most mobile domains of the protein. This region has no defined secondary structure elements and is prone to exchange its amide p…

Models MolecularGuanidinium chlorideProtein FoldingProtein ConformationLigandChemistryCopper proteinBiochemistryArticleCrystallographychemistry.chemical_compoundProtein structureAzurinRusticyaninEscherichia coliProtein foldingAzurinNuclear Magnetic Resonance BiomolecularMolecular BiologyProtein secondary structureCopperGuanidineProtein Science
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Guanine-containing copper(ii) complexes: synthesis, X-ray structures and magnetic properties

2008

Three new compounds of formula {[Cu(gua)(H(2)O)(3)](BF(4))(SiF(6))(1/2)}(n) (1), {[Cu(gua)(H(2)O)(3)](CF(3)SO(3))(2).H(2)O}(n) (2) and [Cu(gua)(2)(H(2)O)(HCOO)]ClO(4).H(2)O.1/2HCOOH] (3) [gua = 2-amino-1H-purin-6(9H)-one] showing the unprecedented coordination of neutral guanine, have been synthesised and structurally characterized. The structures of the compounds 1 and 2 contain uniform copper(II) chains of formula [Cu(gua)(H(2)O)(3)](n)(2n+), where the copper atoms are bridged by guanine ligands coordinated via N(3) and N(7). The electroneutrality is achieved by uncoordinated tetrafluoroborate and hexafluorosilicate (1) and triflate (2). Each copper atom in 1 and 2 is five-coordinated in …

Models MolecularGuanineMagnetic Resonance SpectroscopyDenticityTetrafluoroborateGuanineStereochemistryLigandIonic bondingchemistry.chemical_elementCrystallography X-RayCopperSquare pyramidal molecular geometryInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryMoleculeCopperDalton Trans.
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One-dimensional metal-organic framework with unprecedented heptanuclear copper units.

2007

The reaction of copper(II) sulfate, copper(II) chloride, 3,5-diacetylamino-1,2,4-triazole, and 3-acetylamino-5-amino-1,2,4-triazole in water yields green, plate-shaped crystals of [[{Cu3(mu3-OH(1/2))L(H2O)2Cl}2{mu-Cu(H2O)2Cl2}].12H2O]n (1), where L is a new triazole-derived macrocyclic ligand. The structure of 1 consists of heptanuclear (H)OCuII(3)-CuII-CuII(3)O(H) entities linked in pairs through symmetric mu3-O...H...O-mu3 hydrogen bonds to form a double-stranded one-dimensional network. A significant overall antiferromagnetic behavior has been observed for 1.

Models MolecularHydrogen bondInorganic chemistrychemistry.chemical_elementHydrogen BondingLigandsChlorideCopperInorganic ChemistryCrystallographychemistry.chemical_compoundchemistrymedicineAntiferromagnetismMetal-organic frameworkMacrocyclic ligandPhysical and Theoretical ChemistrySulfateCoppermedicine.drugInorganic chemistry
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