Search results for "SITES"

showing 10 items of 2851 documents

A heteropentanuclear oxalato-bridged [ReIV 4GdIII] complex: synthesis, crystal structure and magnetic properties

2012

The compound (NBu 4) 5[Gd III{Re IVBr 4(μ-ox)} 4(H 2O)]·H 2O (1), with intramolecular antiferromagnetic coupling, is the first Re(iv) system incorporating a 4f ion. © 2012 The Royal Society of Chemistry.

StereochemistryChemistryMetals and AlloysGeneral ChemistryCrystal structureCatalysisAntiferromagnetic couplingSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsIonCrystallographyIntramolecular forceMaterials ChemistryCeramics and Composites
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Kinetic properties of hexameric tyrosinase from the crustacean Palinurus elephas.

2008

Tyrosinases catalyze hydroxylation of monophenols to o-diphenols and their subsequent oxidation to o-quinones, whereas catecholoxidases catalyze only the latter reaction. Both enzymes occur in all organisms and are Type 3 copper proteins that perform the first steps of melanin formation. In arthropods, they play an essential role in the sclerotization of the exoskeleton. Very few phenoloxidases are characterized structurally or kinetically and the existence of an actual tyrosinase activity has not been demonstrated in most cases. Here we present for the first time a complete kinetic characterization of a tyrosinase from a crustacean (Palinurus elephas) including the influence of inhibitors.…

StereochemistryCopper proteinTyrosinaseDopamineAllosteric regulationTyramineCooperativityBiologyBiochemistryBinding CompetitiveHydroxylationchemistry.chemical_compoundNon-competitive inhibitionAnimalsMimosinePhysical and Theoretical ChemistryEnzyme InhibitorsPalinuridaechemistry.chemical_classificationBinding SitesMolecular StructureMonophenol MonooxygenaseGeneral MedicinePhenylthioureaKineticsEnzymechemistryBiochemistryMimosineAllosteric SitePhotochemistry and photobiology
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A Comparative Structural and Magnetic Study of Three Compounds Based on the Cluster Unit M4Cl8(THF)6 (M=Mn, Fe, Co)

2001

Treatment of anhydrous M Cl 2 phases with THF under refluxing conditions leads to excision of the clusters M 4 Cl 8 (THF) 6 ( M =Fe (1), Co (3)) and dimensional reduction to the chain of clusters, {Mn 4 Cl 8 (THF) 6 (Mn(THF) 2 Cl 2 } ∞ , (2). All three compounds were isolated in high yields as crystalline materials and subjected to comprehensive magnetic studies. X-ray structures of the three compounds were performed to verify the nature of the compounds, but only the Mn derivative is discussed in detail due to the fact that the structures of the Fe and Co clusters were reported earlier. The molecular structures of M 4 Cl 8 (THF) 6 ( M =Fe, Co) consist of a rhombic arrrangement of metal ion…

StereochemistryCrystal structureCondensed Matter PhysicsMagnetic susceptibilityElectronic Optical and Magnetic MaterialsInorganic ChemistryMetalCrystallographyMagnetizationchemistry.chemical_compoundchemistryOctahedronvisual_artMaterials ChemistryCeramics and Compositesvisual_art.visual_art_mediumMoleculeAntiferromagnetismPhysical and Theoretical ChemistryTetrahydrofuranJournal of Solid State Chemistry
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[FeIILSCoIIILS]2⇔ [FeIIILSCoIIHS]2 photoinduced conversion in a cyanide-bridged heterobimetallic molecular square

2010

The self-assembly of [Fe(III){B(pz)(4)}(CN)(3)](-) and [Co(II)(bik)(2)(S)(2)](2+) affords the diamagnetic cyanide-bridged [Fe(II)(LS)Co(III)(LS)](2) molecular square which is converted into the corresponding magnetic [Fe(III)(LS)Co(II)(HS)](2) species under light irradiation at relatively low temperatures.

StereochemistryCyanideMetals and AlloysLight irradiationGeneral ChemistryCatalysisSquare (algebra)Surfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographychemistryMaterials ChemistryCeramics and CompositesDiamagnetismChemical Communications
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Synthesis and crystal structure of an unprecedented bismuth porphyrin containing ester pendant arms

2000

International audience; An easily prepared porphyrin with pendant arms is shown to form a stable complex with bismuth(III) ion; the complex is eight coordinate with a square antiprismatic coordination geometry; the solid-state structure exhibits the formation of a dimer assembled via mutual coordination of a terminal ester group.

StereochemistryDimerchemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciences[ CHIM ] Chemical SciencesCatalysisBismuthIonchemistry.chemical_compoundMaterials Chemistry[CHIM]Chemical SciencesCoordination geometrySquare antiprismatic molecular geometry010405 organic chemistryChemistryMetals and AlloysGeneral ChemistryPorphyrin0104 chemical sciences3. Good healthSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyCeramics and Composites
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Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a non-ligand-binding-p…

2014

We report the discovery of 1-benzyl-2-(3- fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole- 5-one as a novel non-ligand binding pocket (non-LBP) antagonist of the androgen receptor (AR) through the application of molecular topology techniques. This compound, validated through time-resolved fluorescence resonance energy transfer and fluorescence polarization biological assays, provides the basis for lead optimization and structure−activity relationship analysis of a new series of non-LBP AR antagonists. Induced-fit docking and molecular dynamics studies have been performed to establish a consistent hypothesis for the interaction of the new active molecule on the AR surface. Refereed/…

StereochemistryGeneral Chemical EngineeringMolecular ConformationLibrary and Information SciencesMolecular Dynamics Simulationmolecular topologySmall Molecule LibrariesMolecular dynamicschemistry.chemical_compoundStructure-Activity RelationshipUser-Computer Interfaceexperimental validationDrug DiscoveryFluorescence Resonance Energy TransferMoleculeHumansPyrrolesPyrroleBinding SitesChemistryAntagonistAndrogen AntagonistsGeneral Chemistryvirtual screeningComputer Science ApplicationsHigh-Throughput Screening AssaysAndrogen receptorMolecular Docking SimulationFörster resonance energy transferDocking (molecular)Receptors AndrogenThermodynamicsFluorescence anisotropyProtein Binding
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Single chain magnet behaviour in an enantiopure chiral cobalt(II)–copper(II) one-dimensional compound

2010

The self-assembly of an enantiomerically pure, chiral dianionic oxamatocopper(II) complex with cobalt(II) ions leads to neutral oxamato-bridged heterobimetallic chains that combine chirality and slow magnetic relaxation, providing thus the first example of ‘‘chiral single chain magnets (CSCMs). Ruiz Garcia, Rafael, Rafael.Ruiz@uv.es ; Lloret Pastor, Francisco, Francisco.Lloret@uv.es

StereochemistryHigh Energy Physics::LatticeUNESCO::QUÍMICAchemistry.chemical_elementSingle chainComputer Science::Computational Geometry010402 general chemistry01 natural sciences:QUÍMICA [UNESCO]CatalysisIonMagnetic RelaxationMaterials ChemistryMagnetic relaxation[CHIM.COOR]Chemical Sciences/Coordination chemistrySelf-assembly ; Dianionic oxamatocopper ; Cobalt ; Ions ; Magnetic RelaxationComputingMilieux_MISCELLANEOUSIons010405 organic chemistryUNESCO::QUÍMICA::Química inorgánicaHigh Energy Physics::PhenomenologyMetals and AlloysGeneral ChemistrySelf-assemblyCobalt:QUÍMICA::Química inorgánica [UNESCO]Copper3. Good health0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyEnantiopure drugchemistryMagnetCeramics and CompositesDianionic oxamatocopperChirality (chemistry)Cobalt
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Synthesis and Characterization of New Bivalent Agents as Melatonin- and Histamine H3-Ligands

2014

Melatonin is an endogenous molecule involved in many pathophysiological processes. In addition to the control of circadian rhythms, its antioxidant and neuroprotective properties have been widely described. Thus far, different bivalent compounds composed by a melatonin molecule linked to another neuroprotective agent were synthesized and tested for their ability to block neurodegenerative processes in vitro and in vivo. To identify a novel class of potential neuroprotective compounds, we prepared a series of bivalent ligands, in which a prototypic melatonergic ligand is connected to an imidazole-based H3 receptor antagonist through a flexible linker. Four imidazolyl-alkyloxy-anilinoethylami…

StereochemistryHistamine AntagonistsLigandsMelatonin receptorMT<sub>2</sub>ArticleCatalysisInorganic Chemistrylcsh:ChemistryHistamine receptorPiperidinesH<sub>3</sub> antagonistsHumansReceptors Histamine H3Physical and Theoretical ChemistryBinding siteReceptormelatonin receptorMolecular Biologylcsh:QH301-705.5SpectroscopyBinding SitesReceptor Melatonin MT2ChemistryReceptor Melatonin MT1MT1Organic ChemistryMT2ImidazolesHistaminergicMT<sub>1</sub>General Medicinemelatonin receptor; MT1; MT2; H3 antagonists; bivalent ligandsLigand (biochemistry)Protein Structure TertiaryComputer Science ApplicationsMelatonergicMolecular Docking SimulationBiochemistrylcsh:Biology (General)lcsh:QD1-999bivalent ligandsHistamine H3 receptorH3 antagonistsProtein BindingInternational Journal of Molecular Sciences
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Template synthesis of multi-macrocycles by metathesis reaction.

2004

Selective heterodimerisation of tetraurea calix[4]arenes containing four or eight ω-alkenyl groups with a tetratosyl urea calix[4]arene has been effectively used to synthesize multi-macrocycles via metathesis reaction.

StereochemistryMetals and AlloysGeneral ChemistryTemplate synthesisCombinatorial chemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryMaterials ChemistryCeramics and CompositesSalt metathesis reactionUreaChemical communications (Cambridge, England)
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Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity

2014

Structural, magnetic, calorimetric and Mo¨ssbauer studies of the cooperative spin crossover naphthalene and nitrobenzene clathrates of the novel FeII Hofmann-like porous metal–organic framework {Fe(bpb)[Pt(CN)4]}2Guest are described (bpb = bis(4-pyridyl)butadiyne).

StereochemistryMetals and AlloysOne-StepGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsNitrobenzeneCrystallographychemistry.chemical_compoundchemistrySpin crossoverFISICA APLICADAMössbauer spectroscopyMaterials ChemistryCeramics and CompositesSpin (physics)NaphthaleneChem. Commun.
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