Search results for "Photochemical Processes"

showing 10 items of 50 documents

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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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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Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form

2021

The front cover artwork is provided by Dr. Javier Segarra-Martí (University of Valencia, Spain) and Prof. Michael J. Bearpark (Imperial College London, UK). The image shows the ultrafast photoionisation of DNA canonical nucleobase cytosine and the slower ionization process in non-canonical base isocytosine embedded within a DNA backbone. Read the full text of the Article at 10.1002/cphc.202100402.

Models MolecularPhysicsMolecular StructurebiologyUltraviolet RaysDNAKetonesPhotochemical Processesbiology.organism_classificationAtomic and Molecular Physics and OpticsNucleobaseCytosinechemistry.chemical_compoundCrystallographyFront coverchemistryCationsIonizationExcited stateA-DNAIsocytosinePhysical and Theoretical ChemistryValenciaChemPhysChem
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Tips and turns of bacteriophytochrome photoactivation

2020

Phytochromes are ubiquitous photosensor proteins, which control the growth, reproduction and movement in plants, fungi and bacteria. Phytochromes switch between two photophysical states depending on the light conditions. In analogy to molecular machines, light absorption induces a series of structural changes that are transduced from the bilin chromophore, through the protein, and to the output domains. Recent progress towards understanding this structural mechanism of signal transduction has been manifold. We describe this progress with a focus on bacteriophytochromes. We describe the mechanism along three structural tiers, which are the chromophore-binding pocket, the photosensory module,…

Models MolecularProtein Conformation116 Chemical sciencesHISTIDINE KINASESSIGNAL-TRANSDUCTIONfotobiologiabacteriophytochrome photoactivation010402 general chemistry01 natural sciencesbakteeritPhytochrome B03 medical and health sciencesProtein structureBacterial ProteinsINDUCED PROTON RELEASEPHYTOCHROME-BCRYSTAL-STRUCTUREPhysical and Theoretical Chemistry030304 developmental biologyINDUCED CONFORMATIONAL-CHANGESPhysics0303 health sciencesRESONANCE RAMANMechanism (biology)AGROBACTERIUM-TUMEFACIENSPhotochemical ProcessesMolecular machine0104 chemical sciencesINFRARED FLUORESCENT PROTEINSCHROMOPHORE-BINDING DOMAINBiophysics1182 Biochemistry cell and molecular biologyvalokemiaproteiinitPhytochromeSignal TransductionPhotochemical & Photobiological Sciences
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Synthesis of a potent photoreactive acidic γ-secretase modulator for target identification in cells.

2012

Supramolecular self-assembly of amyloidogenic peptides is closely associated with numerous pathological conditions. For instance, Alzheimer´s disease (AD) is characterized by abundant amyloid plaques originating from the proteolytic cleavage of the amyloid precursor protein (APP) by β- and γ-secretases. Compounds named γ-secretase modulators (GSMs) can shift the substrate cleavage specificity of γ-secretase toward the production of non-amyloidogenic, shorter Aβ fragments. Herein, we describe the synthesis of highly potent acidic GSMs, equipped with a photoreactive diazirine moiety for photoaffinity labeling. The probes labeled the N-terminal fragment of presenilin (the catalytic subunit of …

Models MolecularStereochemistryProtein subunitClinical BiochemistrySupramolecular chemistryPharmaceutical ScienceCHO CellsCleavage (embryo)BiochemistryPresenilinStructure-Activity Relationshipchemistry.chemical_compoundCricetinaeDrug DiscoveryAmyloid precursor proteinAnimalsMoietyMolecular BiologyDose-Response Relationship DrugMolecular StructurePhotoaffinity labelingbiologyAzirinesChemistryOrganic ChemistryPhotochemical ProcessesBiochemistryDiazirinebiology.proteinMolecular MedicineAmyloid Precursor Protein Secretases
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Chemistry and Photochemistry of 2,6-Bis(2-hydroxybenzilidene)cyclohexanone. An Example of a Compound Following the Anthocyanins Network of Chemical R…

2014

The kinetics and thermodynamics of the 2,6-bis(2-hydroxybenzilidene)cyclohexanone chemical reactions network was studied at different pH values using NMR, UV-vis, continuous irradiation, and flash photolysis. The chemical behavior of the system partially resembles anthocyanins and their analogue compounds. 2,6-Bis(2-hydroxybenzilidene)cyclohexanone exhibits a slow color change from yellow to red styrylflavylium under extreme acidic conditions. The rate constant for this process (5 × 10(-5) s(-1)) is pH independent and controlled by the cis-trans isomerization barrier. However, the interesting feature is the appearance of the colorless compound, 7,8-dihydro-6H-chromeno[3,2-d]xanthene, isolat…

Models MolecularXantheneMolecular StructureCyclohexanonesKineticsCyclohexanoneHydrogen-Ion ConcentrationPhotochemical ProcessesPhotochemistryChemical reactionAnthocyaninschemistry.chemical_compoundReaction rate constantchemistryBenzyl CompoundsProton NMRFlash photolysisPhysical and Theoretical Chemistryta116IsomerizationThe Journal of Physical Chemistry A
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Chemical and photochemical properties of chloroharmine derivatives in aqueous solutions

2015

Thermal and photochemical stability (ΦR), room temperature UV-vis absorption and fluorescence spectra, fluorescence quantum yields (ΦF) and lifetimes (τF), quantum yields of hydrogen peroxide (ΦH2O2) and singlet oxygen (ΦΔ) production, and triplet lifetimes (τT) have been obtained for the neutral and protonated forms of 6-chloroharmine, 8-chloroharmine and 6,8-dichloroharmine, in aqueous media. When it was possible, the effect of pH and oxygen concentration was evaluated. The nature of electronic transitions of protonated and neutral species of the three investigated chloroharmines was established using Time-Dependent Density Functional Theory (TD-DFT) calculations. The impact of all the fo…

PHOTOCHEMICALGeneral Physics and Astronomychemistry.chemical_elementProtonationTriplet lifetime02 engineering and technology010402 general chemistryPhotochemistry01 natural sciencesOxygenFluorescence//purl.org/becyt/ford/1 [https]chemistry.chemical_compoundCHLOROHARMINE//purl.org/becyt/ford/1.4 [https]MoleculePhysical and Theoretical ChemistryAqueous solutionSINGLET OXYGENMolecular StructureChemistrySinglet oxygenPhotochemicalSinglet oxygenOtras Ciencias QuímicasTRIPLET LIFETIMECiencias QuímicasWaterHydrogen PeroxideQuímica021001 nanoscience & nanotechnologyPhotochemical Processes0104 chemical sciencesOxygenSolutionsHarmineSpectrometry FluorescenceAtomic electron transitionChloroharmineDensity functional theoryAbsorption (chemistry)0210 nano-technologyCIENCIAS NATURALES Y EXACTAS
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Porphyrin amino acids-amide coupling, redox and photophysical properties of bis(porphyrin) amides.

2013

New trans-AB2C meso-substituted porphyrin amino acid esters with meso-substituents of tunable electron withdrawing power (B = mesityl, 4-C6H4F, 4-C6H4CF3, C6F5) were prepared as free amines 3a-3d, as N-acetylated derivatives Ac-3a-Ac-3d and corresponding zinc(II) complexes Zn-Ac-3a-Zn-Ac-3d. Several amide-linked bis(porphyrins) with a tunable electron density at each porphyrin site were obtained from the amino porphyrin precursors by condensation reactions (4a-4d) and mono- and bis(zinc(II)) complexes Zn(2)-4d and Zn(1)Zn(2)-4d were prepared. The electronic interaction between individual porphyrin units in bis(porphyrins) 4 is probed by electrochemical experiments (CV, EPR), electronic abso…

PorphyrinsAbsorption spectroscopyMetalationchemistry.chemical_elementZincPhotochemistryRedoxlaw.inventionInorganic Chemistrychemistry.chemical_compoundlawAmidePolymer chemistryOrganometallic CompoundsAmino AcidsElectron paramagnetic resonanceMolecular StructureElectron Spin Resonance SpectroscopyCondensation reactionPhotochemical ProcessesPorphyrinAmidesZincchemistryQuantum TheoryOxidation-ReductionDalton transactions (Cambridge, England : 2003)
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On the Intrinsically Low Quantum Yields of Pyrimidine DNA Photodamages: Evaluating the Reactivity of the Corresponding Minimum Energy Crossing Points

2020

The low quantum yield of photoformation of cyclobutane pyrimidine dimers and pyrimidine-pyrimidone (6-4) adducts in DNA bases is usually associated with the presence of more favorable nonreactive decay paths and with the unlikeliness of exciting the system in a favorable conformation. Here, we prove that the ability of the reactive conical intersection to bring the system either back to the absorbing conformation or to the photoproduct must be considered as a fundamental factor in the low quantum yields of the mentioned photodamage. In support of the proposed model, the one order of magnitude difference in the quantum yield of formation of the cyclobutane thymine dimer with respect to the t…

PyrimidineUltraviolet RaysQuantum yieldPyrimidine dimer010402 general chemistryPhotochemistry01 natural sciencesNucleobaseAdductCyclobutanechemistry.chemical_compound0103 physical sciencesComputer SimulationGeneral Materials SciencePhysical and Theoretical Chemistry010304 chemical physicsChemistryDNAConical intersectionPhotochemical Processes0104 chemical sciences3. Good healthThymineEstructura químicaPyrimidine DimersFisicoquímica
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