Search results for "Metals"

showing 10 items of 2013 documents

Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and Sr…

2015

The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gap…

Models MolecularBand gapMolecular ConformationElectronsElectronic structureElectron holeSelenic AcidCrystallography X-RayVibrationMolecular physicsInorganic ChemistryX-RAY-DIFFRACTIONAb initio quantum chemistry methodsHIGH-PRESSUREChromatesPhysical and Theoretical ChemistryChemistrySemimetalCrystallographyELECTRONIC-STRUCTURELeadStrontiumMolecular vibrationQuantum TheoryMetals Rare EarthDirect and indirect band gapsX-RAY-DIFFRACTION; HIGH-PRESSURE; ELECTRONIC-STRUCTURE;Quasi Fermi level
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A new enneanuclear nickel(II) cluster with a rectangular face-centered trigonal prism structure and cluster glass behavior.

2011

An enneanuclear nickel(II) complex with a rectangular face-centered trigonal prism structure bridged by μ(2)-pyrazolate, μ(6)-CO(3)(2-) and μ(3)-OH(-) groups was synthesized. It displays cluster glass-like magnetic behavior assigned to the single molecule magnet properties of {Ni(9)} clusters and weak intercluster interaction.

Models MolecularChemistryMetals and AlloysStructure (category theory)chemistry.chemical_elementGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsCrystallographyNickelTrigonal prismCoordination ComplexesNickelFace (geometry)Materials ChemistryCeramics and CompositesCluster (physics)MagnetsPyrazolesSingle-molecule magnetChemical communications (Cambridge, England)
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Modulation of DNA binding by reversible metal-controlled molecular reorganizations of scorpiand-like ligands.

2012

DNA interaction with scorpiand azamacrocycles has been achieved through modulation of their binding affinities. Studies performed with different experimental techniques provided evidence that pH or metal-driven molecular reorganizations of these ligands regulate their ability to interact with calf thymus DNA (ctDNA) through an intercalative mode. Interestingly enough, metal-driven molecular reorganizations serve to increase or decrease the biological activities of these compounds significantly.

Models MolecularCircular dichroismMacrocyclic CompoundsStereochemistryCell SurvivalDna interactionAntineoplastic AgentsNucleic Acid DenaturationBiochemistryCatalysisMetalchemistry.chemical_compoundColloid and Surface ChemistryCell Line TumorNeoplasmsAnimalsHumansBinding affinitiesCircular DichroismGeneral ChemistryDNAIntercalating AgentsDNA metabolismchemistryCell cultureMetalsvisual_artvisual_art.visual_art_mediumCattleSpectrophotometry UltravioletProtonsDNAJournal of the American Chemical Society
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Coordination polymers based on diiron tetrakis(dithiolato) bridged by alkali metals, electrical bistability around room temperature, and strong antif…

2015

Coordination polymer chains have been formed by the direct reaction between HSC6H2Cl2SH and FeCl3·6H2O in the presence of an aqueous solution of the corresponding alkali-metal hydroxide (M = Li, Na, and K) or carbonate (M = Rb and Cs). The structures consist of dimeric [Fe2(SC6H2Cl2S)4](2-) entities bridged by [M2(THF)4] [M = K (1), Rb (2), and Cs (3); THF = tetrahydrofuran] or {[Na2(μ-H2O)2(THF)2] (5 and 5') units. The smaller size of the lithium atom yields an anion/cation ion-pair molecule, [Li(THF)4]2[Fe2(SC6H2Cl2S)4] (4), in which the dianionic moieties are held together by Cl···Cl interactions. Electrical characterization of these compounds shows a general semiconductor behavior in wh…

Models MolecularCoordination polymerMetals AlkaliPolymersInorganic chemistryElectric ConductivityTemperatureAlkali metalIonInorganic Chemistrychemistry.chemical_compoundCrystallographychemistrySemiconductorsAntiferromagnetismHydroxideMoleculeFerrous CompoundsSulfhydryl CompoundsPhysical and Theoretical ChemistryTetrahydrofuranLithium atomInorganic chemistry
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Synergy between quantum dots and 1,10-phenanthroline–copper(ii) complex towards cleaving DNA

2011

We have found that the DNA cleaving activity of quantum dots and 1,10-phenanthroline-Cu(II) complex is significantly enhanced when they are combined.

Models MolecularDNA SuperhelicalPhenanthrolineMetals and Alloyschemistry.chemical_elementDrug SynergismNanotechnologyDNAGeneral ChemistryCopperhumanitiesCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialschemistry.chemical_compoundchemistryQuantum dotQuantum DotsOrganometallic CompoundsMaterials ChemistryCeramics and CompositesNucleic Acid ConformationDNA CleavageDNAPhenanthrolinesChemical Communications
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A new family of "clicked" estradiol-based low-molecular-weight gelators having highly symmetry-dependent gelation ability.

2011

Reported herein is the discovery of a novel family of "clicked" estradiol-based LMWGs whose gelation ability highly depends on the gelator symmetry. These LMWGs that gel different organic solvents in the presence of H(2)O even at concentrations as low as 0.04 wt% are readily accessible using "click" chemistry.

Models MolecularEstradiolChemistryMetals and AlloysMolecular ConformationGeneral ChemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsMolecular Weightotorhinolaryngologic diseasesMaterials ChemistryCeramics and CompositesOrganic chemistryClick ChemistrySymmetry (geometry)GelsChemical communications (Cambridge, England)
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Subphthalocyanines: addressing water-solubility, nano-encapsulation, and activation for optical imaging of B16 melanoma cells

2014

Water-soluble disulfonato-subphthalocyanines (SubPcs) or hydrophobic nano-encapsulated SubPcs are efficient probes for the fluorescence imaging of cells. 20 nm large liposomes (TEM and DLS) incorporated about 13% SubPc. Moreover, some of these fluorophores were found to be pH activatable.

Models MolecularFluorescence-lifetime imaging microscopyNanostructureIndolesMelanoma ExperimentalIsoindoles010402 general chemistryPhotochemistryCrystallography X-Ray01 natural sciencesCatalysisMiceMaterials ChemistryMoleculeAnimals[CHIM]Chemical SciencesSolubilityFluorescent DyesLiposomeAqueous solutionMolecular Structure010405 organic chemistryChemistryMetals and AlloysWaterGeneral ChemistryHydrogen-Ion Concentration0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsMolecular ImagingNanostructuresNano encapsulationSolubilityLiposomesCeramics and CompositesMolecular imaging
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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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DOTASQ as a prototype of nature-inspired G-quadruplex ligand

2011

DOTASQ (for DOTA-templated Synthetic G-quartet) is the first prototype of nature-inspired G-quadruplex ligand: its design, founded on a possible intramolecular G-quartet formation, enables it to interact with G-quadruplex DNA via an unprecedented nature-mimicking binding mode, based on the association between two G-quartets, one being native (quadruplex) and the other one artificial (ligand).

Models MolecularGuanineMacrocyclic CompoundsStereochemistryAntineoplastic AgentsLigands010402 general chemistryG-quadruplex01 natural sciencesCatalysischemistry.chemical_compoundMaterials ChemistryHumans[CHIM]Chemical SciencesNature inspiredTerbiumComputingMilieux_MISCELLANEOUSBinding SitesFourier Analysis010405 organic chemistryMetals and AlloysGeneral ChemistryLigand (biochemistry)0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsG-QuadruplexeschemistryMolecular ProbesIntramolecular forceCeramics and CompositesNucleic Acid ConformationHydrophobic and Hydrophilic InteractionsDNA
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Temperature-controlled release by changes in the secondary structure of peptides anchored onto mesoporous silica supports

2014

Changes in the conformation of a peptide anchored onto the external surface of mesoporous silica nanoparticles have been used to design novel temperature-controlled delivery systems.

Models MolecularINGENIERIA DE LA CONSTRUCCIONSurface PropertiesSilicon dioxideNanoparticlePeptideProtein Structure SecondaryCatalysischemistry.chemical_compoundQUIMICA ORGANICAMaterials ChemistryCombinatorial libraryParticle Sizeskin and connective tissue diseasesPorosityProtein secondary structurechemistry.chemical_classificationResponsive Controlled-ReleaseQUIMICA INORGANICATemperatureMetals and AlloysGeneral ChemistryMesoporous silicaSilicon DioxideCombinatorial chemistryControlled releaseValvesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChemistrychemistryChemical engineeringCeramics and CompositesNanoparticlessense organsParticle sizePeptidesAmino-acidsPorosity
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