2024
Occupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations
Kaur D, Reiss K, Wang J, Batista V, Brudvig G, Gunner M. Occupancy Analysis of Water Molecules inside Channels within 25 Å Radius of the Oxygen-Evolving Center of Photosystem II in Molecular Dynamics Simulations. The Journal Of Physical Chemistry B 2024, 128: 2236-2248. PMID: 38377592, DOI: 10.1021/acs.jpcb.3c05367.Peer-Reviewed Original ResearchOxygen-evolving centerWater moleculesPhotosystem IIPositions of water moleculesAnalysis of water moleculesCatalyze water oxidationHydrogen bond networkOccupancy of water moleculesMolecular dynamics simulationsD1-D61Electron density mapsMolecular dynamics analysisProton transferWater oxidationCrystallographic dataIce latticeMD simulationsMolecular dynamicsStructural transitionDynamics simulationsSubstrate waterOxygen-evolvingRoom temperatureProtein residuesMolecules
2023
Electrocatalytic, Homogeneous Ammonia Oxidation in Water to Nitrate and Nitrite with a Copper Complex
Liu H, Lant H, Troiano J, Hu G, Mercado B, Crabtree R, Brudvig G. Electrocatalytic, Homogeneous Ammonia Oxidation in Water to Nitrate and Nitrite with a Copper Complex. ECS Meeting Abstracts 2023, MA2023-01: 2691-2691. DOI: 10.1149/ma2023-01552691mtgabs.Peer-Reviewed Original ResearchWater oxidationAmmonia oxidationO bond formationInitial mechanistic studiesMolecular catalystsCopper complexesMetal electrocatalystsFaradaic efficiencyAqueous mediaBond formationHigh selectivityOxidation processN2 productTitle reactionOxidationMechanistic studiesCatalysisComplexesRoom temperatureFriendly productionWaterElectrocatalystsElectrocatalyticNitrateCatalyst
2016
Surface-Induced Deprotection of THP-Protected Hydroxamic Acids on Titanium Dioxide
Brennan B, Koenigsmann C, Materna K, Kim P, Koepf M, Crabtree R, Schmuttenmaer C, Brudvig G. Surface-Induced Deprotection of THP-Protected Hydroxamic Acids on Titanium Dioxide. The Journal Of Physical Chemistry C 2016, 120: 12495-12502. DOI: 10.1021/acs.jpcc.6b02635.Peer-Reviewed Original ResearchDye-sensitized photoelectrochemical cellsMetal oxidesMetal oxide surfacesDirect surface functionalizationSurface-bound speciesConvenient new methodHydroxamic acidDye aggregationSurface speciesSurface functionalizationCovalent interactionsOxide surfaceHydroxamate groupHydrolytic stabilityPhotoelectrochemical cellsTiO2 surfaceStable complexesTitanium dioxideDeprotectionChelation methodBinding propertiesMK-2Room temperatureHydroxamateOxide
2015
Comparison of dppf‐Supported Nickel Precatalysts for the Suzuki–Miyaura Reaction: The Observation and Activity of Nickel(I)
Guard L, Beromi M, Brudvig G, Hazari N, Vinyard D. Comparison of dppf‐Supported Nickel Precatalysts for the Suzuki–Miyaura Reaction: The Observation and Activity of Nickel(I). Angewandte Chemie 2015, 127: 13550-13554. DOI: 10.1002/ange.201505699.Peer-Reviewed Original ResearchSuzuki–Miyaura reactionNi II complexesSimilar catalytic activityDppf ligandNickel precatalystsNi precatalystsOxidation stateCatalytic activityPrecatalystHeterocyclic substratesNi 0Potential chemicalI speciesReactionII complexesRoom temperaturePd systemLigandsComplexesChemicalsNiSignificant amountSubstrate
2013
Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands
Dai W, Chalkley M, Brudvig G, Hazari N, Melvin P, Pokhrel R, Takase M. Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands. Organometallics 2013, 32: 5114-5127. DOI: 10.1021/om400687m.Peer-Reviewed Original Research
1992
Photooxidation of cytochrome b559 in oxygen-evolving photosystem II.
Buser C, Diner B, Brudvig G. Photooxidation of cytochrome b559 in oxygen-evolving photosystem II. Biochemistry 1992, 31: 11449-59. PMID: 1445880, DOI: 10.1021/bi00161a025.Peer-Reviewed Original ResearchConceptsCyt b559Photosystem II protein complexDark reductionOptical spectroscopyElectron transfer kineticsOxygen-evolving photosystem IIPSII-enriched membranesCytochrome b559Redox stateS2QA- charge recombinationExtent of photooxidationRate of photooxidationPrimary electron acceptorPH range 5.0Plastoquinone poolPSII samplesAcidic pH valuesRoom temperatureElectron acceptorPhotosystem IIPhotooxidationRate of reductionRedox equilibriumRange 5.0P680
1990
Electron-transfer reactions in manganese-depleted photosystem II.
Buser C, Thompson L, Diner B, Brudvig G. Electron-transfer reactions in manganese-depleted photosystem II. Biochemistry 1990, 29: 8977-85. PMID: 2176840, DOI: 10.1021/bi00490a014.Peer-Reviewed Original ResearchConceptsMn-depleted photosystem II membranesElectron donation reactionsManganese-depleted photosystem IIElectron donationCytochrome b559Photosystem II membranesElectron paramagnetic resonance spectroscopyGlobal fitPSII samplesParamagnetic resonance spectroscopyEnergy differenceP680Room temperaturePhotosystem IIElectron transfer reactionsTime scalesLifetimeDecayFree energy differenceElectron transferRate constantsB559Resonance spectroscopySame orderRate of photooxidation