2024
An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the S1 and S3 states revealed by serial femtosecond crystallography
Yehia S, Wang J, Brudvig G, Gunner M, Brooks B, Amin M. An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the S1 and S3 states revealed by serial femtosecond crystallography. Biochimica Et Biophysica Acta (BBA) - Bioenergetics 2024, 1866: 149531. PMID: 39694218, PMCID: PMC11911099, DOI: 10.1016/j.bbabio.2024.149531.Peer-Reviewed Original ResearchX-ray crystallographyMn coordinationReaction mechanismEfficient solar energy conversionFemtosecond X-ray crystallographyWater splitting reactionX-raySolar energy conversionElectronic structure changesCoordination chemistrySplitting reactionOxygen-evolving complexArtificial catalystsReaction intermediatesPhotosystem IICatalytic intermediatesWater moleculesOxidation stateFemtosecond crystallographyUltra-short laser pulsesOxidation intermediatesCrystallographyS3 stateStructural changesNatural catalystsTailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO2 Reduction
Shang B, Zhao F, Suo S, Gao Y, Sheehan C, Jeon S, Li J, Rooney C, Leitner O, Xiao L, Fan H, Elimelech M, Wang L, Meyer G, Stach E, Mallouk T, Lian T, Wang H. Tailoring Interfaces for Enhanced Methanol Production from Photoelectrochemical CO2 Reduction. Journal Of The American Chemical Society 2024, 146: 2267-2274. PMID: 38207288, DOI: 10.1021/jacs.3c13540.Peer-Reviewed Original ResearchFaradaic efficiencyReduction of CO<sub>2</sub>Conversion of CO<sub>2</sub>Accumulation of reaction intermediatesParasitic side reactionsPartial current densityOne-electron reductionCO2 reduction efficiencyEnhanced methanol productionCurrent densityElectrode surface areaThermodynamic driving forceMolecular catalystsPhotoelectrochemical conversionCatalyst loadingCatalyst surfaceSilicon photoelectrodesReaction intermediatesSide reactionsMicropillar array structureLight absorptionCarbon layerGaseous intermediatesSurface areaMethanol production
2014
A Lewis Acid Catalyzed Annulation to 2,1-Benzisoxazoles
Otley KD, Ellman JA. A Lewis Acid Catalyzed Annulation to 2,1-Benzisoxazoles. The Journal Of Organic Chemistry 2014, 79: 8296-8303. PMID: 25157596, PMCID: PMC4156248, DOI: 10.1021/jo5015432.Peer-Reviewed Original ResearchConceptsInitial mechanistic investigationsLewis Acid‐Catalyzed AnnulationFriedel-Crafts cyclizationConvergent routeSubstrate scopeReaction intermediatesCompound classesGlyoxylate estersCatalyzed AnnulationO-selectivityUmpolung additionMechanistic investigationsConvenient conditionsHigh yieldsAnnulationBenzisoxazoleDeveloped methodNitrosoarenesNitrosobenzeneCyclizationNew typeIntermediatesSynthesisReactionEsters
2008
Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II. Journal Of The American Chemical Society 2008, 130: 3428-3442. PMID: 18290643, DOI: 10.1021/ja076130q.Peer-Reviewed Original ResearchConceptsSubstrate water moleculesWater moleculesMu-oxo bridgeOxygen-evolving complexWater splittingQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsQuantum Mechanics/Molecular Mechanics StudySolar fuel production systemsPhotosystem IIX-ray diffraction structureMolecular mechanics studySecond coordination shellCyanobacterium Thermosynechococcus elongatusOxomanganese clusterDioxygen evolutionTerminal ligandsXRD structureCatalytic clustersCP43-R357Ligand exchangeCatalytic reactionCatalytic cycleReaction intermediatesS0 stateNucleophilic attack
1998
Catalytic Mechanism of Kdo8P Synthase: Transient Kinetic Studies and Evaluation of a Putative Reaction Intermediate †
Liang P, Lewis J, Anderson K, Kohen A, D'Souza F, Benenson Y, Baasov T. Catalytic Mechanism of Kdo8P Synthase: Transient Kinetic Studies and Evaluation of a Putative Reaction Intermediate †. Biochemistry 1998, 37: 16390-16399. PMID: 9819231, DOI: 10.1021/bi981374w.Peer-Reviewed Original ResearchConceptsTransient kinetic studiesKDO8P synthaseRapid chemical quench experimentsIntermediate 2Chemical quench experimentsKinetic studiesBeta-pyranose formPutative reaction intermediatesChemical synthesisNMR spectroscopySynthetic 2Anomeric phosphatesReaction intermediatesCatalytic pathwayReaction pathwaysEnzyme catalysisCatalytic mechanismTurnover conditionsMechanistic pathwaysPutative reactionsReactionPhosphate hydrolysisSubstrate activityCorresponding control experimentsAlternate substrates
1997
Detection and Identification of Transient Enzyme Intermediates Using Rapid Mixing, Pulsed-Flow Electrospray Mass Spectrometry †
Paiva A, Tilton R, Crooks G, Huang L, Anderson K. Detection and Identification of Transient Enzyme Intermediates Using Rapid Mixing, Pulsed-Flow Electrospray Mass Spectrometry †. Biochemistry 1997, 36: 15472-15476. PMID: 9398276, DOI: 10.1021/bi971883i.Peer-Reviewed Original ResearchConceptsTetrahedral intermediateElectrospray ionization ion trap mass spectrometerIon trap mass spectrometerNegative ion mass spectraElectrospray ionization mass spectrometryCollision-induced dissociationEnzyme intermediateIon mass spectraTrap mass spectrometerIonization mass spectrometryEnzyme reaction intermediatesElectrospray ionizationDaughter ionsSubsecond time scaleEnzyme active siteReaction intermediatesAtomic mass unitsMass spectraMass spectrometerChemical quench studiesQuenching studiesMass spectrometryRapid mixing deviceQuenching methodActive site
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