Search results for "Complexe"

showing 10 items of 920 documents

A Binuclear MnIII Complex of a Scorpiand-Like Ligand Displaying a Single Unsupported MnIII–O–MnIII Bridge

2012

The crystal structure of a binuclear Mn(III) complex of a scorpiand-like ligand (L) displays an unsupported single oxo bridging ligand with a Mn(III)-O-Mn(III) angle of 174.7°. Magnetic susceptibility measurements indicate strong antiferromagnetic coupling between the two metal centers. DFT calculations have been carried out to understand the magnetic behavior and to analyze the nature of the observed Jahn-Teller distortion. Paramagnetic (1)H NMR has been applied to rationalize the formation and magnetic features of the complexes formed in solution.

Models MolecularManganeseMagnetic Resonance SpectroscopyChemistryLigandBridging ligandNuclear magnetic resonance spectroscopyCrystal structureCrystallography X-RayLigandsMagnetic susceptibilityInorganic ChemistryMetalCrystallographyParamagnetismCoordination Complexesvisual_artMagnetsvisual_art.visual_art_mediumProton NMRPhysical and Theoretical ChemistryOxygen CompoundsInorganic Chemistry
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Designing binuclear transition metal complexes: a new example of the versatility of N,N′-bis(2-aminobenzyl)-4,13-diaza-18-crown-6

2005

[Abstract] N,N′-Bis(2-aminobenzyl)-4,13-diaza-18-crown-6 (L) is a versatile receptor able to adapt to the coordinative preferences of different metal cation guests. With first-row transition metal ions, L tends to form binuclear complexes but, depending on the nature of the particular metal ion, the structure of the binuclear complex may be very different. Herein we report a study of the structure and magnetic properties of the corresponding nickel(II) and cobalt(II) complexes. The X-ray crystal structure of the nickel complex (1), with formula [Ni2(L)(CH3CN)4](ClO4)4·CH3CN, shows that this compound presents a symmetric coordination environment with L adopting an anti arrangement. Each Ni(I…

Models MolecularMetal ions in aqueous solutionCoordination numberchemistry.chemical_elementCrystal structureCrystallography X-RayInorganic Chemistrychemistry.chemical_compoundMagneticsMacrocyclic ligandsTransition metalNickelCationsCrown EthersOrganometallic CompoundsCrown ethersAza Compounds18-Crown-6TemperatureBinuclear complexesCobaltCrystallographyNickelchemistryOctahedronCrystal structuresTransition-metal complexesCobalt
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Conformational and structural studies of N-methylacetohydroxamic acid and of its mono- and bis-chelated uranium(VI) complexes

2015

The thermodynamics and kinetics of the cis/trans isomerism of N-methylacetohydroxamic acid (NMAH) and its conjugated base (NMA(-)) have been reinvestigated in aqueous media by (1)H NMR spectroscopy. Hindered rotation around the central C-N bond due to electronic delocalization becomes slow enough on the NMR time scale to observe both rotamers in equilibrium in D2O at room temperature. By properly assigning the methyl group resonances, evidence for the prevalence of the E over the Z form is unambiguously provided [K300=[E]/[Z]=2.86(2) and 9.63(5) for NMAH and NMA(-), respectively], closing thereby a long-lasting dispute about the most stable conformer. To that end, calculations of the chemic…

Models MolecularMolecular ConformationX-ray crystal structuresCrystallography X-RayHydroxamic AcidsSpectrum Analysis RamanBiochemistryInorganic Chemistrychemistry.chemical_compoundDelocalized electronReaction rate constantEXSY spectroscopyCoordination ComplexesSpectroscopyConformational isomerismChelating AgentsUranium(VI) complexesChemical shiftWater[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryCrystallographyHydroxamic acidchemistry[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryRaman spectroscopyProton NMRQuantum TheoryUraniumDensity functional theoryMethyl group
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Peptides Derived from Apoptotic Bax and Bid Reproduce the Poration Activity of the Parent Full-Length Proteins

2005

Bax and Bid are proapoptotic proteins of the Bcl-2 family that regulate the release of apoptogenic factors from mitochondria. Although they localize constitutively in the cytoplasm, their apoptotic function is exerted at the mitochondrial outer membrane, and is related to their ability to form transbilayer pores. Here we report the poration activity of fragments from these two proteins, containing the first alpha-helix of a colicinlike hydrophobic hairpin (alpha-helix 5 of Bax and alpha-helix 6 of Bid). Both peptides readily bind to synthetic lipid vesicles, where they adopt predominantly alpha-helical structures and induce the release of entrapped calcein. In planar lipid membranes they fo…

Models MolecularMolecular Sequence DataBiophysicsApoptosisPeptideIn Vitro TechniquesBiophysical PhenomenaIon ChannelsPermeabilityProtein Structure Secondarychemistry.chemical_compoundBcl-2-associated X proteinSpectroscopy Fourier Transform InfraredHumansChannels Receptors and Electrical SignalingAmino Acid SequencePeptide sequenceIon channelbcl-2-Associated X Proteinchemistry.chemical_classificationbiologyChemistryCircular DichroismPeptide FragmentsCell biologyCalceinMembraneProto-Oncogene Proteins c-bcl-2CytoplasmMultiprotein ComplexesLiposomesbiology.proteinPèptidsCarrier ProteinsBacterial outer membraneProteïnesBH3 Interacting Domain Death Agonist ProteinBiophysical Journal
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Field-induced slow relaxation of magnetisation in two one-dimensional homometallic dysprosium(iii) complexes based on alpha- and beta-amino acids.

2020

Two one-dimensional dysprosium(III) complexes based on α-glycine (gly) and β-alanine (β-ala) amino acids, with the formula {[Dy2(gly)6(H2O)4](ClO4)6·5H2O}n (1) and {[Dy2(β-ala)6(H2O)4](ClO4)6·H2O}n (2), have been synthesised and characterised structurally and magnetically. Both compounds crystallise in the triclinic system with the space group P. In 1, two DyIII ions are eight-coordinate and bound to six oxygen atoms from six gly ligands and two oxygen atoms from two water molecules, showing different geometries (bicapped trigonal prism and square antiprism). In 2, two DyIII ions are nine-coordinate and bound to seven oxygen atoms from six β-ala ligands and two oxygen atoms from two water m…

Models MolecularMolecular StructureMagnetic PhenomenaRelaxation (NMR)chemistry.chemical_elementTriclinic crystal systemCrystallography X-RayMagnetic susceptibilitySquare antiprismInorganic ChemistryCrystalCrystallographyMagnetizationchemistryCoordination ComplexesDysprosiumDysprosiumMoleculeAmino AcidsDalton transactions (Cambridge, England : 2003)
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Multifunctional coordination polymers based on copper with modified nucleobases, easily modulated in size and conductivity.

2019

This Accepted Manuscript will be available for reuse under a CC BY-NC-ND licence after 24 months of embargo period

Models MolecularNanoprocessingCoordination polymerPolymersSupramolecular chemistrychemistry.chemical_elementConductivity010402 general chemistry01 natural sciencesBiochemistryOxalateNucleobaseInorganic Chemistrychemistry.chemical_compoundBipyridineCoordination ComplexesCoordination polymerNucleobasesMolecular Structure010405 organic chemistryChemistryHydrogen bondQuímicaCopperMagnetic and electrical properties0104 chemical sciencesCrystallographyCopperJournal of inorganic biochemistry
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Lhca5 interaction with plant photosystem I

2006

AbstractIn the outer antenna (LHCI) of higher plant photosystem I (PSI) four abundantly expressed light-harvesting protein of photosystem I (Lhca)-type proteins are organized in two heterodimeric domains (Lhca1/Lhca4 and Lhca2/Lhca3). Our cross-linking studies on PSI-LHCI preparations from wildtype Arabidopsis and pea plants indicate an exclusive interaction of the rarely expressed Lhca5 light-harvesting protein with LHCI in the Lhca2/Lhca3-site. In PSI particles with an altered LHCI composition Lhca5 assembles in the Lhca1/Lhca4 site, partly as a homodimer. This flexibility indicates a binding-competitive model for the LHCI assembly in plants regulated by molecular interactions of the Lhca…

Models MolecularPhotosystem IArabidopsisLight-Harvesting Protein ComplexesBiophysicsPhotosystem IBiochemistrychemistry.chemical_compoundLight harvesting complex IStructural BiologyArabidopsisGeneticsMolecular BiologyLhca5Molecular interactionsPhotosystem I Protein ComplexbiologyArabidopsis ProteinsPeasWild typefood and beveragesArabidopsis ProteinsCell BiologyLight-Harvesting Protein Complexesbiology.organism_classificationCrystallographychemistryChlorophyllBiophysicsLight-harvesting complex ICross-linkingFEBS Letters
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Triphenylphosphane Pt(II) complexes containing biologically active natural polyphenols: Synthesis, crystal structure, molecular modeling and cytotoxi…

2016

Platinum complexes bearing phosphane ligands in cis configuration with deprotonated flavonoids (3-hydroxyflavone, quercetin) and deprotonated ethyl gallate were synthesized starting from cis-[PtCl2(PPh3)(2)]. In all cases, O,O' chelate structures were obtained. While quercetin and ethyl gallate complexes are quite stable in solution, the 3-hydroxyflavonate complex undergoes a slow aerobic photodegradation in solution with formation of salicylic and benzoic acids. The X-ray diffraction structures of quercetin and ethyl gallate complexes are reported. Cell cycle studies (in the dark) of the complexes in two human cell lines revealed that the cytotoxic activity of the complex bearing 3-hydroxy…

Models MolecularPlatinum(II) complexesOrganoplatinum CompoundsMolecular modelStereochemistryPlatinum(II) complexes; Cytotoxic activity; Natural polyphenols; Flavonoids; DFTEthyl gallateCrystal structureCytotoxic activity; DFT; Flavonoids; Natural polyphenols; Platinum(II) complexesCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistryDFTInorganic ChemistryHydrolysischemistry.chemical_compoundDeprotonationHumansChelationPhotodegradationCytotoxic activity DFT Flavonoids Natural polyphenols Platinum(II) complexesFlavonoidsCytotoxic activityCytotoxins010405 organic chemistryChemistryPolyphenols0104 chemical sciencesMCF-7 CellsNatural polyphenolsCis–trans isomerism
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Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases

2013

Four new copper(II) coordination complexes, obtained by reaction of CuX2 (X = acetate or chloride) with thymine-1-acetic acid and uracil-1-propionic acid as ligands, of formulas [Cu(TAcO)2(H2O)4]·4H2O (1), [Cu(TAcO)2(H2O)2]n (2), [Cu3(TAcO)4(H2O)2(OH)2]n·4H2O (3), and [Cu3(UPrO)2Cl2(OH)2(H2O)2]n (4) (TAcOH = thymine-1-acetic acid, UPrOH = uracil-1-propionic acid) are described. While 1 is a discrete complex, 2-4 are one-dimensional coordination polymers. Complexes 2-4 present dc conductivity values between 10(-6) and 10(-9) S/cm(-1). The magnetic behavior of complex 2 is typical for almost isolated Cu(II) metal centers. Moderate-weak antiferromagnetic interactions have been found in complex…

Models MolecularPolymersInorganic chemistrychemistry.chemical_elementChlorideNucleobaseInorganic ChemistryMetalMagneticsCoordination ComplexesmedicineAntiferromagnetismPhysical and Theoretical Chemistrychemistry.chemical_classificationMolecular StructureNucleotidesPolymerInductive couplingCopperCrystallographySemiconductorschemistrySuperexchangevisual_artvisual_art.visual_art_mediumCoppermedicine.drugInorganic Chemistry
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Effect of temperature and ligand protonation on the electronic ground state in Cu( ii ) polymers having unusual secondary interactions: a magnetic an…

2018

International audience; Two new copper(II) polymeric complexes, {[Cu(HPymat)(H2O)](NO3)}n (1) and [Cu2(Pymat)2(H2O)3]n (2), have been synthesized using the Schiff base ligand H2Pymat [H2Pymat = (E)-2-(1-(pyridin-2-yl)-methyleneamino)terephthalic acid]. Complex 1 is a cationic 1D polymer, whereas complex 2 is a two dimensional polymer. Both complexes were crystallographically, spectroscopically and magnetically characterized. Theoretical studies were performed and the catecholase activity of the complexes was also examined. Complex 1 is a ferromagnetically coupled complex with J = 2.8 cm−1 and 2 shows antiferromagnetic coupling with J = −1.6 cm−1. Both complexes show notable features in the …

Models MolecularPolymerschemistry.chemical_elementProtonation010402 general chemistryCrystallography X-RayLigands01 natural scienceslaw.inventionInorganic Chemistrychemistry.chemical_compoundlawCoordination ComplexesMolecule[CHIM]Chemical SciencesElectron paramagnetic resonanceSchiff baseMolecular Structure010405 organic chemistryLigandMagnetic PhenomenaTemperatureTwo-dimensional polymer[CHIM.MATE]Chemical Sciences/Material chemistryHydrogen-Ion ConcentrationCopper0104 chemical sciencesCrystallography[CHIM.POLY]Chemical Sciences/PolymerschemistryQuantum TheoryProtonsGround stateCatechol OxidaseCopper
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