Search results for "OXIDATION"

showing 10 items of 1913 documents

Redox-responsive organometallic foldamers from ferrocene amino acid: Solid-phase synthesis, secondary structure and mixed-valence properties

2011

Oligoferrocenes Fmoc-Fca(n)-OMe (n=3-5) are assembled in a stepwise precise manner from Fmoc-protected ferrocene amino acid Fmoc-Fca-OH (H-Fca-OH = 1-amino-1'-ferrocene carboxylic acid; Fmoc = 9-fluorenylmethyloxycarbonyl) via amide bonds on solid supports by sequential Fmoc deprotection, acid activation and coupling steps. The resulting well-defined oligomers form ordered zigzag structures in THF solution with characteristic hydrogen bonding patterns. Electrochemical experiments reveal sequential oxidations of the individual ferrocene units in these peptides giving mixed-valent cations. Optical intervalence electron transfer is detected by intervalence transitions in the near-IR.

Models MolecularMetallocenesStereochemistryCarboxylic acidProtein Structure SecondaryInorganic Chemistrychemistry.chemical_compoundElectron transferSolid-phase synthesisPolymer chemistryOrganometallic CompoundsFerrous CompoundsAmino AcidsProtein secondary structurechemistry.chemical_classificationFluorenesValence (chemistry)Hydrogen bondSpectrum AnalysisDipeptidesAmino acidSolutionschemistryFerrocenePeptidomimeticsOxidation-ReductionDalton Transactions
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Modification of Nanocrystalline WO3 with a Dicationic Perylene Bisimide: Applications to Molecular Level Solar Water Splitting

2015

[(N,N?-Bis(2-(trimethylammonium)ethylene) perylene 3,4,9,10-tetracarboxylic acid bisimide)(PF6)2] (1) was observed to spontaneously adsorb on nanocrystalline WO3 surfaces via aggregation/hydrophobic forces. Under visible irradiation (? > 435 nm), the excited state of 1 underwent oxidative quenching by electron injection (kinj > 108 s-1) to WO3, leaving a strongly positive hole (Eox ? 1.7 V vs SCE), which allows to drive demanding photo-oxidation reactions in photoelectrochemical cells (PECs). The casting of IrO2 nanoparticles (NPs), acting as water oxidation catalysts (WOCs) on the sensitized electrodes, led to a 4-fold enhancement in photoanodic current, consistent with hole transfer from …

Models MolecularMolecular ConformationNanoparticleImidesPhotochemistryBiochemistryTungstenCatalysisNOCatalysiElectron Transportchemistry.chemical_compoundColloid and Surface ChemistryTheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYWO3ComputingMethodologies_SYMBOLICANDALGEBRAICMANIPULATIONperylenePhotoelectrochemical cellIrO2Quenching (fluorescence)Chemistry (all)charge transferWaterOxidesGeneral ChemistryPhotoelectrochemical cellPhotochemical ProcessesSolar fuelChemistry (all); Catalysis; Biochemistry; Colloid and Surface ChemistryNanocrystalline materialperylene WO3 charge transfer IrO2MicrosecondchemistryWater SplittingSunlightVISIBLE-LIGHT; ARTIFICIAL PHOTOSYNTHESIS; PHOTOELECTROCHEMICAL CELL; OXIDATION CATALYSTS; ELECTRON-TRANSFER; FABRICATIONNanoparticlesPerylene bisimideWater splittingPeryleneMathematicsofComputing_DISCRETEMATHEMATICS
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Effects of sequence, connectivity, and counter ions in new amide-linked Ru(tpy)2-Re(bpy) chromophores on redox chemistry and photophysics.

2013

New cationic metallo ligands L1-L3 based on bis(terpyridine) ruthenium(II) complexes decorated with differently substituted 2,2'-bipyridines attached via amide groups (5-NHCO-bpy, 4-CONH-bpy, 5-CONH-bpy) were prepared. Coordination of Re(I)Cl(CO)(3) fragments to the bpy unit gives the corresponding bimetallic Ru~Re complexes 1-3. Hydrogen bonds of the bridging amide groups to [PF(6)](-) counterions or to water molecules are observed both in the solid state and in solution. The impact of the amide orientation, the connecting site, and the coordination of counterions on redox and photophysical properties is explored. Both the metallo ligands L1-L3 and the bimetallic complexes 1-3 are emissive…

Models MolecularMolecular Conformationchemistry.chemical_elementPhotochemistryCrystallography X-RayRutheniumlaw.inventionInorganic Chemistrychemistry.chemical_compoundlawAmideOrganometallic CompoundsMoleculePhysical and Theoretical ChemistryElectron paramagnetic resonanceBimetallic stripIonsHydrogen bondLigandPhotochemical ProcessesAmidesRutheniumCrystallographyRheniumchemistryQuantum TheoryTerpyridineOxidation-ReductionInorganic chemistry
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Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates

2020

[EN] The propensity of 5-formyluracil and 5-formylcytosine, i.e. oxidative lesions and epigenetic intermediates, in acting as intrinsic DNA photosensitizers is unraveled by using a combination of molecular modeling, simulation and spectroscopy. Exploration of potential energy surfaces and non-adiabatic dynamics confirm a higher intersystem crossing rate for 5-formyluracil, whereas the kinetic models evidence different equilibria in the excited states for both compounds.

Models MolecularMolecular modelLightOxidative phosphorylation010402 general chemistry01 natural sciencesCatalysisEpigenesis Geneticchemistry.chemical_compoundCytosineQUIMICA ORGANICAMaterials Chemistry[CHIM]Chemical SciencesHumansComputer SimulationEpigeneticsSpectroscopyUracilComputingMilieux_MISCELLANEOUS010405 organic chemistryChemistryMetals and AlloysGeneral ChemistryDNAPotential energy0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsKineticsIntersystem crossingExcited stateCeramics and CompositesBiophysicsOxidation-ReductionDNAMutagens
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Cubane-Type Mo3FeS44+,5+ Complexes Containing Outer Diphosphane Ligands: Ligand Substitution Reactions, Spectroscopic Studies, and Electronic Structu…

2012

A general protocol to access Mo(3)FeS(4)(4+) clusters selectively modified at the Fe coordination site is presented starting from the all-chlorine Mo(3)(FeCl)S(4)(dmpe)(3)Cl(3) (1) [dmpe = 1,2-bis(dimethylphosphane-ethane)] cluster and tetrabutylammonium salts (n-Bu(4)NX) (X = CN(-), N(3)(-), and PhS(-)). Clusters Mo(3)(FeX)S(4)(dmpe)(3)Cl(3) [X = CN(-) (2), N(3)(-) (3), and PhS(-) (4)] are prepared in high yield, and comparison of geometric and redox features upon modification of the coordination environment at the Fe site at parity of ligands at the Mo sites is also presented. The existence of the cubane-type Mo(3)FeS(4)(4+,5+) redox couple is demonstrated by cyclic voltammetry and for co…

Models MolecularPhosphinesIronInorganic chemistryMolecular ConformationElectronsInorganic chemicalsLigandsRedoxlaw.inventionInorganic Chemistrychemistry.chemical_compoundlawOrganometallic CompoundsReactionsDiphosphanePhysical and Theoretical ChemistryElectron paramagnetic resonanceMolybdenumLigandMagnetic PhenomenaSpectrum AnalysisDiphosphane ligandsMagnetic susceptibilityCrystallographychemistryCubaneQuantum TheoryDensity functional theoryCyclic voltammetryOxidation-ReductionSulfurInorganic Chemistry
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Experimental and Theoretical Study on the Cycloreversion of a Nucleobase-Derived Azetidine by Photoinduced Electron Transfer.

2018

[EN] Azetidines are interesting compounds in medicine and chemistry as bioactive scaffolds and synthetic intermediates. However, photochemical processes involved in the generation and fate of azetidine-derived radical ions have scarcely been reported. In this context, the photoreduction of this four-membered heterocycle might be relevant in connection with the DNA (6-4) photoproduct obtained from photolyase. Herein, a stable azabipyrimidinic azetidine (AZT(m)), obtained from cycloaddition between thymine and 6-azauracil units, is considered to be an interesting model of the proposed azetidine-like intermediate. Hence, its photoreduction and photo-oxidation are thoroughly investigated throug…

Models MolecularPhotochemistryRadicalAzetidinePyrimidine dimer010402 general chemistryPhotochemistry01 natural sciencesCatalysisPhotoinduced electron transferNucleobaseCyclobutaneElectron transferElectron Transportchemistry.chemical_compoundElectron transferQUIMICA ORGANICAUracilCycloadditionAza CompoundsCycloaddition Reaction010405 organic chemistryOrganic ChemistryGeneral ChemistryRadicalsPhotochemical Processes0104 chemical sciencesThymineDensity functional calculationsPyrimidineschemistryPyrimidine DimersAzetidinesOxidation-ReductionThymineChemistry (Weinheim an der Bergstrasse, Germany)
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Stepwise sequential redox potential modulation possible on a single platform.

2011

Step by step: The cluster [3,3'-Co(1,2-C(2)B(9)H(11))(2)](-) is an excellent platform for making a stepwise tunable redox potential system by dehydroiodination. With the addition of up to eight iodine substituents (purple; see picture), there is a fall in the E(1/2)(Co(III)/Co(II)) value from -1.80 V to -0.68 V (vs. Fc(+)/Fc; Fc = ferrocene). A practical application of this tunability has been observed in the growth of polypyrrole.

Models MolecularPolymersInorganic chemistryGeneral MedicineGeneral ChemistryCobaltPolypyrroleCrystallography X-RayElectron transport chainRedoxCatalysisCrystallographychemistry.chemical_compoundFerrocenechemistryModulationOrganometallic CompoundsPyrrolesFullerenesBoranesOxidation-ReductionAngewandte Chemie (International ed. in English)
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Exploring the redox reactivity of magnesium porphine. Insight into the origins of electropolymerisation.

2010

International audience; Magnesium(II) porphine, MgP (1), was synthesised according to the Lindsey procedure allowing to isolate and crystallise 1-formyldipyrromethane (2) as a synthetic intermediate. Unprecedented Xray diffraction studies revealed multiple intermolecular associations in the crystal between neighbouring units of 2, namely hydrogen bond and CH … π. The electrochemical behaviour of 1 was examined by means of cyclic voltammetry. In oxydation, two well-defined and distinct steps are assigned to macrocycle concerned electron transfers yielding initially the π-cation radical and π dication, respectively. The highly reactive dication condenses neutral magnesium porphine to form a d…

Models MolecularPorphyrinsInorganic chemistrychemistry.chemical_element010402 general chemistryElectrochemistryCrystallography X-Ray01 natural sciencesRedoxOligomerInorganic Chemistrychemistry.chemical_compound[CHIM.ANAL]Chemical Sciences/Analytical chemistryPolymer chemistryElectrochemistryOrganometallic Compounds[CHIM.COOR]Chemical Sciences/Coordination chemistryReactivity (chemistry)Magnesium[CHIM.ORGA]Chemical Sciences/Organic chemistry010405 organic chemistryHydrogen bondChemistryMagnesiumHydrogen Bonding[CHIM.MATE]Chemical Sciences/Material chemistry0104 chemical sciencesDicationCyclic voltammetryOxidation-ReductionDalton transactions (Cambridge, England : 2003)
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Electrochemical synthesis and structural characterization of Co(II), Ni(II) and Cu(II) complexes of N,N-bis(4,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridy…

2009

The electrochemical oxidation of anodic metal (cobalt, nickel or copper) in a cell containing an acetonitrile solution of the ligand N,N-bis(4,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine (H2L) affords complexes [Co2L2].H2O (1), [Ni3L3] (2) and [Cu2L2] 3H2O (4). On using nickel as the anode and the addition to the solution electrolytic phase of the amount of water necessary to saturate the solution, the electrolytic process gave rise to the new compound [Ni2L2(H2O)1.5].CH3CN (3). Compounds 1 and 4 are dimeric and the metal atoms are pentacoordinated. Compound 3 also consists of dimeric neutral molecules with the nickel atoms in both penta- and hexacoordinated environments. The cryst…

Models MolecularPyridinesInorganic chemistrychemistry.chemical_elementCrystal structureCrystallography X-RayLigandsInorganic ChemistryMetalchemistry.chemical_compoundNickelElectrochemistryOrganometallic CompoundsMoleculeAminesAcetonitrileMolecular StructureLigandCobaltNickelCrystallographychemistryIntramolecular forcevisual_artvisual_art.visual_art_mediumCobaltOxidation-ReductionCopperDalton transactions (Cambridge, England : 2003)
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Structures of yeast peroxisomal Δ(3),Δ(2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks f…

2015

Δ3,Δ2-Enoyl-CoA isomerases (ECIs) catalyze the shift of a double bond from 3Z- or 3E-enoyl-CoA to 2E-enoyl-CoA. ECIs are members of the crotonase superfamily. The crotonase framework is used by many enzymes to catalyze a wide range of reactions on acyl-CoA thioesters. The thioester O atom is bound in a conserved oxyanion hole. Here, the mode of binding of acyl-CoA substrate analogues to peroxisomalSaccharomyces cerevisiaeECI (ScECI2) is described. The best defined part of the bound acyl-CoA molecules is the 3′,5′-diphosphate-adenosine moiety, which interacts with residues of loop 1 and loop 2, whereas the pantetheine part is the least well defined. The catalytic base, Glu158, is hydrogen-bo…

Models MolecularSaccharomyces cerevisiae ProteinsDouble bondStereochemistryProtein ConformationIsomeraseSaccharomyces cerevisiaeEnoyl CoA isomeraseThioesterPhotochemistryDodecenoyl-CoA Isomerasebeta-oxidationSubstrate SpecificityStructural Biologyddc:570Catalytic DomainEnzyme StabilitySide chainMoietyta116chemistry.chemical_classificationHydrogen bondenoyl-CoA isomeraseta1182Hydrogen BondingGeneral Medicinehydrogen-bond networkcrotonaseoxyanion holechemistryAcyl Coenzyme AOxyanion holeOxidation-ReductionProtein BindingActa crystallographica. Section D, Biological crystallography
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