Search results for "Chemical process"

showing 10 items of 103 documents

Raman and nuclear magnetic resonance investigation of alkali metal vapor interaction with alkene-based anti-relaxation coating.

2016

The use of anti-relaxation coatings in alkali vapor cells yields substantial performance improvements by reducing the probability of spin relaxation in wall collisions by several orders of magnitude. Some of the most effective anti-relaxation coating materials are alpha-olefins, which (as in the case of more traditional paraffin coatings) must undergo a curing period after cell manufacturing in order to achieve the desired behavior. Until now, however, it has been unclear what physicochemical processes occur during cell curing, and how they may affect relevant cell properties. We present the results of nondestructive Raman-spectroscopy and magnetic-resonance investigations of the influence …

Materials scienceDouble bondphysics.chem-phFOS: Physical sciencesGeneral Physics and Astronomyengineering.material010402 general chemistry01 natural sciencessymbols.namesakeEngineeringCoatingPhysics - Chemical Physics0103 physical sciencesPhysical and Theoretical Chemistry010306 general physicsSpin relaxationCuring (chemistry)Chemical Physics (physics.chem-ph)chemistry.chemical_classificationPhysicochemical ProcessesCondensed Matter - Materials ScienceChemical PhysicsAlkeneMaterials Science (cond-mat.mtrl-sci)Alkali metalcond-mat.mtrl-sci0104 chemical sciences3. Good healthchemistryChemical engineeringPhysical SciencesChemical SciencessymbolsengineeringRaman spectroscopyBiotechnologyThe Journal of chemical physics
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Toward Photopatternable Thin Film Optical Sensors Utilizing Reactive Polyphenylacetylenes

2013

Substituted polyphenylacetylenes featuring reactive pentafluorophenyl (PFP) ester moieties are synthesized. Parts of the reactive PFP groups are then converted with a mono ortho-nitrobenzyl-protected diamine in variable ratios. Thin films are prepared from these copolymers and irradiated with UV light (λ = 365 nm), resulting in crosslinking of the irradiated areas and hence enabling a photopatterning. We found that during the photocrosslinking process, the excess of PFP ester moieties is stable and remained intact, enabling a subsequent post-polymerization modification step with amines. Noteworthy, this subsequent modification with amines results in a dramatically shift in the UV-vis absorp…

Materials sciencePolymers and PlasticsAbsorption spectroscopyPolymersUltraviolet RaysConjugated systemPhotochemistrylaw.inventionchemistry.chemical_compoundlawDiamineSpectroscopy Fourier Transform InfraredPolymer chemistryMaterials ChemistryCopolymerIrradiationAminesThin filmchemistry.chemical_classificationOrganic ChemistryOptical DevicesEstersPolymerPhotochemical ProcesseschemistryAlkynesPhotolithographyMacromolecular Rapid Communications
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Site-by-site tracking of signal transduction in an azidophenylalanine-labeled bacteriophytochrome with step-scan FTIR spectroscopy

2021

Signal propagation in photosensory proteins is a complex and multidimensional event. Unraveling such mechanisms site-specifically in real time is an eligible but a challenging goal. Here, we elucidate the site-specific events in a red-light sensing phytochrome using the unnatural amino acid azidophenylalanine, vibrationally distinguishable from all other protein signals. In canonical phytochromes, signal transduction starts with isomerization of an excited bilin chromophore, initiating a multitude of processes in the photosensory unit of the protein, which eventually control the biochemical activity of the output domain, nanometers away from the chromophore. By implementing the label in pri…

Models MolecularAzidesProtein ConformationPhenylalaninespektroskopiaTongue regionGeneral Physics and Astronomyfotobiologia010402 general chemistryTracking (particle physics)01 natural sciences03 medical and health scienceschemistry.chemical_compoundBacterial ProteinsSpectroscopy Fourier Transform InfraredAmino Acid SequenceAmino AcidsPhysical and Theoretical ChemistryFourier transform infrared spectroscopyBilin030304 developmental biology0303 health sciencesBinding SitesStaining and LabelingbiologyPhytochromeChemistryDeinococcus radioduransChromophorePhotochemical Processesbiology.organism_classification0104 chemical sciencesKineticsBiophysicsPhytochromeproteiinitvalokemiaSignal transductionProtein BindingSignal TransductionPhysical Chemistry Chemical Physics
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Modelling Photoionisation in Isocytosine: Potential Formation of Longer‐Lived Excited State Cations in its Keto Form

2021

Abstract Studying the effects of UV and VUV radiation on non‐canonical DNA/RNA nucleobases allows us to compare how they release excess energy following absorption with respect to their canonical counterparts. This has attracted much research attention in recent years because of its likely influence on the origin of our genetic lexicon in prebiotic times. Here we present a CASSCF and XMS‐CASPT2 theoretical study of the photoionisation of non‐canonical pyrimidine nucleobase isocytosine in both its keto and enol tautomeric forms. We analyse their lowest energy cationic excited states including 2π+ , 2nO+ and 2nN+ and compare these to the corresponding electronic states in cytosine. Investigat…

Models MolecularCASPT2Ultraviolet RaysADNPhysics Atomic Molecular & ChemicalRELAXATION DYNAMICSCASSCFArticleCytosineMOLECULAR WAVE-FUNCTIONSCationsIMPLEMENTATION0307 Theoretical and Computational ChemistryPhysical and Theoretical Chemistry0306 Physical Chemistry (incl. Structural)Radiació ionitzantScience & TechnologyChemical PhysicsMolecular StructureChemistry PhysicalConical IntersectionsPhysicsSPECTROSCOPIC FINGERPRINTSDNAArticlesKetonesPhotochemical ProcessesURACILAtomic and Molecular Physics and OpticsChemistryPhotostability2ND-ORDER PERTURBATION-THEORYPhotoionisationPhysical SciencesANO BASIS-SETSSIMULATION0202 Atomic Molecular Nuclear Particle and Plasma PhysicsCASSCF/CASPT2RNAELECTRON CORRELATIONDNA/RNAChemPhysChem
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Synthesis, photophysical properties and structures of organotin-Schiff bases utilizing aromatic amino acid from the chiral pool and evaluation of the…

2017

Abstract Five new organotin(IV) complexes of compositions [Me 2 SnL 1 ] ( 1 ), [Me 2 SnL 2 ] n ( 2 ), [Me 2 SnL 3 ] ( 3 ), [Ph 3 SnL 1 H] n ( 4 ) and [Ph 3 SnL 3 H] ( 5 ) (where L 1  = (2 S )-2-(( E )-(( Z )-4-hydroxypent-3-en-2-ylidene)amino)-3-(1 H -indol-3-yl)propanoate, L 2  = (2 S )-( E )-2-((2-hydroxybenzylidene)amino)-3-(1 H -indol-3-yl)propanoate and L 3  = (2 S )-( E )-2-((1-(2-hydroxyphenyl)ethylidene)amino)-3-(1 H -indol-3-yl)propanoate were synthesized and spectroscopically characterized. The crystal structures of 1 – 4 were determined. For the dimethyltin derivative 2 , a polymeric chain structure was observed as a result of a long Sn∙∙∙O contact involving the exocyclic carbony…

Models MolecularCell SurvivalStereochemistryAntineoplastic AgentsCrystal structureChiral Schiff baseCrystallography X-Ray010402 general chemistry01 natural sciencesBiochemistryInorganic ChemistryAmino Acids AromaticInhibitory Concentration 50chemistry.chemical_compoundBromideCell Line TumorRiboseOrganotin CompoundsHumansSchiff BasesSpectroscopyX-ray crystallographyCoordination geometrychemistry.chemical_classificationCyclodextrin010405 organic chemistryLigandA375 (human melanoma) cell lineTryptophanStereoisomerismPhotochemical ProcessesOrganotin(IV) compound0104 chemical sciencesMolecular Docking SimulationMonomerchemistrySettore CHIM/03 - Chimica Generale E InorganicaDerivative (chemistry)Journal of Inorganic Biochemistry
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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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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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