2025
Conjugated Polymer Nanoparticles and Thin Films of Defect-Free Cyclic P3HT: Effects of Polymer Topology on the Nanostructure
Watanabe T, Maeki M, Tokeshi M, Gao T, Li F, Isono T, Tajima K, Satoh T, Sato S, Yamamoto T. Conjugated Polymer Nanoparticles and Thin Films of Defect-Free Cyclic P3HT: Effects of Polymer Topology on the Nanostructure. Molecules 2025, 30: 2490. PMID: 40572455, PMCID: PMC12196461, DOI: 10.3390/molecules30122490.Peer-Reviewed Original ResearchGrazing incidence X-ray scatteringConjugated polymer nanoparticlesEffect of polymer topologyPolymer topologyCP NPsPolymer nanoparticlesMolecular weight dependenceX-ray scatteringConjugation lengthP3HT filmsPoly(3-hexylthiopheneSolvatochromic propertiesHypsochromic shiftInterchain orderingAbsorption spectraMolecular orientationNanostructure regulationP3HTThin filmsReduced particle sizeWeight dependenceNanoscale materialsMicrofluidic devicesSteady responseParticle size
2021
Tuning the Conduction Band for Interfacial Electron Transfer: Dye-Sensitized Sn x Ti1–x O2 Photoanodes for Water Splitting
Spies J, Swierk J, Kelly H, Capobianco M, Regan K, Batista V, Brudvig G, Schmuttenmaer C. Tuning the Conduction Band for Interfacial Electron Transfer: Dye-Sensitized Sn x Ti1–x O2 Photoanodes for Water Splitting. ACS Applied Energy Materials 2021, 4: 4695-4703. DOI: 10.1021/acsaem.1c00305.Peer-Reviewed Original ResearchDFT calculationsAbsorption spectroscopyInterfacial electron transfer dynamicsUltrafast transient absorption spectroscopyInterfacial electron transferElectron transfer dynamicsUltrafast electron injectionConduction bandPeriodic DFT calculationsTransient absorption spectroscopyLinear absorption spectroscopyDye sensitizersWater splittingElectron transferTransfer dynamicsComposition of SnElectron acceptorAbsorption spectraElectron injectionD characterElectronic statesSpectroscopyPhotoanodeSnDye
2019
Vibronic Effects in the Ultrafast Interfacial Electron Transfer of Perylene-Sensitized TiO2 Surfaces
Oliboni R, Yan H, Fan H, Abraham B, Avenoso J, Galoppini E, Batista V, Gundlach L, Rego L. Vibronic Effects in the Ultrafast Interfacial Electron Transfer of Perylene-Sensitized TiO2 Surfaces. The Journal Of Physical Chemistry C 2019, 123: 12599-12607. DOI: 10.1021/acs.jpcc.9b02106.Peer-Reviewed Original ResearchVibronic effectsAbsorption spectraNonadiabatic quantum dynamics simulationsOptical gap decreasesUltrafast transient absorption spectroscopyUltrafast interfacial electron transferQuantum dynamics simulationsEnergy modesTransient absorption spectroscopyTransient absorption spectraQuantum dynamicsBroadband spectroscopyElectron transferVelocity autocorrelation functionClassical trajectoriesExcited statesEnergy shiftGap decreasesWide-band limitS1 stateElectronic populationAbsorption spectroscopyInterfacial electron transferCondon approximationNonequilibrium modes
2015
Coupled-Cluster Studies of Extensive Green Fluorescent Protein Models Using the Reduced Virtual Space Approach
Send R, Suomivuori C, Kaila V, Sundholm D. Coupled-Cluster Studies of Extensive Green Fluorescent Protein Models Using the Reduced Virtual Space Approach. The Journal Of Physical Chemistry B 2015, 119: 2933-2945. PMID: 25613980, DOI: 10.1021/jp5120898.Peer-Reviewed Original ResearchConceptsReduced virtual spaceProtonation stateExcited statesCoupled-clusterCalculation of excitation energiesMethods of theoretical chemistryExcitation energyCC2 excitation energiesCoupled-cluster studyCoupled-cluster singlesLowest excited stateQuantum mechanical calculationsExperimental absorption spectraCalculated energy splittingsStudy of excited statesQM regionVirtual orbitalsPhotoexcitation propertiesMechanical calculationsAbsorption spectraTheoretical chemistryEnergy splittingProtein modelsPredicted optical propertiesBiomolecular systems
2012
JBP1 and JBP2 Proteins Are Fe2+/2-Oxoglutarate-dependent Dioxygenases Regulating Hydroxylation of Thymidine Residues in Trypanosome DNA*
Cliffe L, Hirsch G, Wang J, Ekanayake D, Bullard W, Hu M, Wang Y, Sabatini R. JBP1 and JBP2 Proteins Are Fe2+/2-Oxoglutarate-dependent Dioxygenases Regulating Hydroxylation of Thymidine Residues in Trypanosome DNA*. Journal Of Biological Chemistry 2012, 287: 19886-19895. PMID: 22514282, PMCID: PMC3370173, DOI: 10.1074/jbc.m112.341974.Peer-Reviewed Original ResearchConceptsRegulation of gene expressionOxygen-sensitive regulatorTranscription initiationDioxygenase superfamilyHost nichesO(2)-dependent mannerSynthesis in vivoIn vivo analysisJBP1Inhibiting iron bindingThymidine residuesGene expressionFe(2+Trypanosome DNAIron bindingParasite virulenceHydroxylation in vitroOxidative decarboxylationDioxygenaseAbsorption spectraProteinAnaerobic conditionsSpectroscopic signaturesReduced levelsHydroxyl
2000
Femtosecond Multicolor Pump−Probe Spectroscopy of Ferrous Cytochrome c †
Wang W, Ye X, Demidov A, Rosca F, Sjodin T, Cao W, Sheeran M, Champion P. Femtosecond Multicolor Pump−Probe Spectroscopy of Ferrous Cytochrome c †. The Journal Of Physical Chemistry B 2000, 104: 10789-10801. DOI: 10.1021/jp0008602.Peer-Reviewed Original ResearchFemtosecond coherence spectroscopyLigand photolysisQuantum yieldAbsorption spectraTransient absorption spectraFerrous cytochrome cHigh quantum yieldUltrafast laser spectroscopyTi:sapphire laserInduce coherent oscillationsLigand recombinationMethionine ligandGeminate rebindingPhotolysis timeQ-bandCm-1Pulsed photoexcitationVibrational modesStructural relaxationCoherence spectroscopyHeme ironMP-8PhotolysisCoherent oscillationsLaser spectroscopyNonadiabatic photodissociation dynamics of ICN in the à continuum: A semiclassical initial value representation study
Coronado E, Batista V, Miller W. Nonadiabatic photodissociation dynamics of ICN in the à continuum: A semiclassical initial value representation study. The Journal Of Chemical Physics 2000, 112: 5566-5575. DOI: 10.1063/1.481130.Peer-Reviewed Original ResearchFull quantum mechanical calculationsNonadiabatic photodissociation dynamicsPhotodissociation dynamicsMechanical calculationsQuantum mechanical calculationsSemiclassical initial value representation methodSemiclassical resultsNonadiabatic processesRotational distributionsSemiclassical techniquesAbsorption spectraModel HamiltonianExcellent agreementHamiltonianExperimental dataCalculationsContinuumDynamicsSpectraDirect comparisonQuantizationAgreementICN
1999
Determination of molecular masses of proteins in solution: Implementation of an HPLC size exclusion chromatography and laser light scattering service in a core laboratory.
Folta-Stogniew E, Williams KR. Determination of molecular masses of proteins in solution: Implementation of an HPLC size exclusion chromatography and laser light scattering service in a core laboratory. Journal Of Biomolecular Techniques 1999, 10: 51-63. PMID: 19499008, PMCID: PMC2291588.Peer-Reviewed Original ResearchRefractive indexLaser lightSEC/LSEmission spectraAbsorption spectraLight scatteringSize exclusion chromatographyInstrument configurationLS experimentsProtein oligomerizationNative proteinRI detectorMolecular massNonglobular shapeSpectraMolecular weightProteinHPLC size exclusion chromatographyMW determinationLaserLightScatteringExclusion chromatographyProtein standardsDetector
1992
BACTERIORHODOPSIN RECONSTITUTED FROM TWO INDIVIDUAL HELICES AND THE COMPLEMENTARY FIVE‐HELIX FRAGMENT IS PHOTOACTIVE
Kataoka M, Kahn T, Tsujiuchi Y, Engelman D, Tokunaga F. BACTERIORHODOPSIN RECONSTITUTED FROM TWO INDIVIDUAL HELICES AND THE COMPLEMENTARY FIVE‐HELIX FRAGMENT IS PHOTOACTIVE. Photochemistry And Photobiology 1992, 56: 895-901. PMID: 1492135, DOI: 10.1111/j.1751-1097.1992.tb09710.x.Peer-Reviewed Original Research
1989
p10 single-stranded nucleic acid binding protein from murine leukemia virus binds metal ions via the peptide sequence Cys26-X2-Cys29-X4-His34-X4-Cys39.
Roberts W, Pan T, Elliott J, Coleman J, Williams K. p10 single-stranded nucleic acid binding protein from murine leukemia virus binds metal ions via the peptide sequence Cys26-X2-Cys29-X4-His34-X4-Cys39. Biochemistry 1989, 28: 10043-7. PMID: 2695161, DOI: 10.1021/bi00452a024.Peer-Reviewed Original ResearchConceptsChemical shiftsMetal ionsSolid-phase synthesis approachCharge transfer bandD absorption bandsMetal binding propertiesChelate complexesUltraviolet absorption spectraCharge transferNMR spectraAbsorption bandsIntense bandAbsorption spectraSynthesis approachBinding propertiesNucleic acidsOligonucleotide bindingIonsComplexesCys residuesSpectraConsiderable interestPpmResiduesBand
1985
Stability of transmembrane regions in bacteriorhodopsin studied by progressive proteolysis
Dumont M, Trewhella J, Engelman D, Richards F. Stability of transmembrane regions in bacteriorhodopsin studied by progressive proteolysis. The Journal Of Membrane Biology 1985, 88: 233-247. PMID: 3913776, DOI: 10.1007/bf01871088.Peer-Reviewed Original ResearchConceptsMolecular weight distributionFragments of bacteriorhodopsinVisible absorption spectraX-ray diffractionX-ray diffraction patternsDiffraction patternsAqueous mediaNative purple membraneUrea-polyacrylamide gel electrophoresisWeight distributionSmall soluble peptidesAbsorption spectraHydrophobic segmentsBacteriorhodopsin sequenceAmino acid analysisHigh-pressure liquid chromotographyPolyacrylamide gel electrophoresisDigestion conditionsPurple membraneOptical absorptionSoluble peptidesBacteriorhodopsinMembrane-embedded regionsLiquid chromotographyProducts of digestion
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