2021
Toward understanding the S2-S3 transition in the Kok cycle of Photosystem II: Lessons from Sr-substituted structure
Amin M, Kaur D, Gunner M, Brudvig G. Toward understanding the S2-S3 transition in the Kok cycle of Photosystem II: Lessons from Sr-substituted structure. Inorganic Chemistry Communications 2021, 133: 108890. DOI: 10.1016/j.inoche.2021.108890.Peer-Reviewed Original ResearchDensity functional theoryS3 transitionPhotosystem IIWater oxidation mechanismS2-S3 transitionKok cycleOxidation mechanismContinuum electrostaticsHydrogen fuelFunctional theoryS2 stateSolar energyArtificial systemsCatalystDeprotonationWaterMn4CalculationsElectrostaticsSr2OxygenEnergeticsTransitionFuelStructure
2008
Ligation Of The C-Terminus Of The D1 Polypeptide Of Photosystem Ii To The Oxygen Evolving Complex: A Dft-Qm/Mm Study
Gascón J, Sproviero E, McEvoy J, Brudvig G, Batista V. Ligation Of The C-Terminus Of The D1 Polypeptide Of Photosystem Ii To The Oxygen Evolving Complex: A Dft-Qm/Mm Study. 2008, 363-368. DOI: 10.1007/978-1-4020-6709-9_82.Peer-Reviewed Original ResearchOxygen-evolving complexC-terminal carboxylateD1-Ala344OEC of PSIIQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsX-ray diffraction modelPhotosystem IID1 polypeptideFTIR difference spectraX-ray diffraction experimentsMM studyFTIR dataCalcium ligationElectronic propertiesVibrational frequenciesS2 stateSymmetric stretchPSII particlesXRD modelFTIRCarboxylateDiffraction experimentsDifference spectraComplexes
2004
Q-Band EPR of the S2 State of Photosystem II Confirms an S=5/2 Origin of the X-Band g=4.1 Signal
Haddy A, Lakshmi K, Brudvig G, Frank H. Q-Band EPR of the S2 State of Photosystem II Confirms an S=5/2 Origin of the X-Band g=4.1 Signal. Biophysical Journal 2004, 87: 2885-2896. PMID: 15454478, PMCID: PMC1304705, DOI: 10.1529/biophysj.104.040238.Peer-Reviewed Original ResearchConceptsSame spin systemS2 stateSpin systemsZero-field splitting valuesMiddle Kramers doubletPhotosystem IILight-induced signalsS2 oxidation stateX-bandKramers doubletX-band signalQ-band EPRPSII-enriched membrane fragmentsSplitting valuesLow-field signalMn clusterQ-bandState originEPR signalOxidation stateStateDoubletSpectraSignalsGHz
2000
Low-Frequency Resonance Raman Characterization of the Oxygen-Evolving Complex of Photosystem II
Cua A, Stewart D, Reifler M, Brudvig G, Bocian D. Low-Frequency Resonance Raman Characterization of the Oxygen-Evolving Complex of Photosystem II. Journal Of The American Chemical Society 2000, 122: 2069-2077. DOI: 10.1021/ja9932885.Peer-Reviewed Original ResearchO2-evolving complexMn4 clusterS2 statePhotosystem IIRedox-active tyrosinesLow-energy electronic transitionsRaman spectraElectronic transitionsS1 stateVibrational modesOxygen-Evolving ComplexRaman studiesS2 oxidation stateRaman scatteringResonance Raman CharacterizationExcitation Raman spectroscopyTetramanganese clusterCoordination environmentNIR transitionsVibrational spectroscopyOxidation stateMolecular structureD2O/H2O exchangeOH groupsRaman spectroscopy
1998
A Structural and Mechanistic Model of the O2-Evolving Complex of Photosystem II
Szalai V, Stone D, Brudvig G. A Structural and Mechanistic Model of the O2-Evolving Complex of Photosystem II. 1998, 1403-1406. DOI: 10.1007/978-94-011-3953-3_331.Peer-Reviewed Original ResearchElectron paramagnetic resonanceMn4 clusterO bond-forming stepReactivity of MnBond-forming stepWater oxidation siteWater/hydroxidePhotosystem II membranesPoint-dipole approximationMN4 complexesElectron transferO speciesParamagnetic resonanceEPR signalS2 stateSpectral simulationsPhotosystem IIYZComplexesMn atomsStructural modelCluster orientationChemistryHydroxideAtoms
1996
Reversible Binding of Nitric Oxide to Tyrosyl Radicals in Photosystem II. Nitric Oxide Quenches Formation of the S3 EPR Signal Species in Acetate-Inhibited Photosystem II†
Szalai V, Brudvig G. Reversible Binding of Nitric Oxide to Tyrosyl Radicals in Photosystem II. Nitric Oxide Quenches Formation of the S3 EPR Signal Species in Acetate-Inhibited Photosystem II†. Biochemistry 1996, 35: 15080-15087. PMID: 8942675, DOI: 10.1021/bi961117w.Peer-Reviewed Original ResearchConceptsS3 EPR signalOxygen-evolving complexMultiline EPR signalEPR signalS2 statePhotosystem IIManganese-depleted photosystem IIS2-state multiline EPR signalRedox-active tyrosinesPhotosystem II samplesRadical EPR signalSignal speciesNitric oxide (NO) bindsTyrosyl radicalsAmmonia resultsReversible bindingOxideYZDipolar interactionsRibonucleotide reductase
1987
The tetranuclear manganese complex of Photosystem II
Brudvig G. The tetranuclear manganese complex of Photosystem II. Journal Of Bioenergetics And Biomembranes 1987, 19: 91-104. PMID: 3034873, DOI: 10.1007/bf00762719.Peer-Reviewed Original ResearchConceptsManganese complexesElectron paramagnetic resonance (EPR) spectroscopic studiesManganese ionsS2 stateTetranuclear manganese complexPhotosystem IIFour-electron oxidationIntermediate oxidation statesDisplacement of O2Coordination chemistryOxidation stateO bondSpectroscopic studiesS4 stateMagnetic propertiesComplexesIonsLike structureManganeseMn4O4ChemistryStructureBondsOxidationPropertiesFormation of the S2 state and structure of the Mn complex in photosystem II lacking the extrinsic 33 kilodalton polypeptide
Miller A, de Paula J, Brudvig G. Formation of the S2 state and structure of the Mn complex in photosystem II lacking the extrinsic 33 kilodalton polypeptide. Photosynthesis Research 1987, 12: 205-218. PMID: 24435688, DOI: 10.1007/bf00055121.Peer-Reviewed Original ResearchS2-state multiline EPR signalState multiline EPR signalStable charge separationPSII membranesMultiline EPR signalEPR signalCharge separationManganese sitesElectron paramagnetic resonance spectroscopyUntreated PSII membranesElectron transfer eventsParamagnetic resonance spectroscopyPhotosystem II membranesMn complexesElectron donorResonance spectroscopyS2 stateReaction centersExtrinsic polypeptidesHigh yieldsMagnetic propertiesPhotosystem IISeparationTemperature rangeSpectroscopy
1986
Binding of amines to the O2-evolving center of photosystem II.
Beck W, Brudvig G. Binding of amines to the O2-evolving center of photosystem II. Biochemistry 1986, 25: 6479-86. PMID: 3024709, DOI: 10.1021/bi00369a021.Peer-Reviewed Original ResearchConceptsO2-evolving centerMultiline EPR spectrumMultiline EPR signalEPR signalS2 statePSII membranesLow-temperature electron paramagnetic resonance (EPR) spectroscopyEPR spectraElectron paramagnetic resonance spectroscopyS2-state multiline EPR signalPhotosystem IIBinding of NH3Untreated PSII membranesDirect spectroscopic evidenceParamagnetic resonance spectroscopySpinach PSII membranesMn sitesBinding of aminesDifferent EPR signalsNH3 moleculesSpectroscopic evidencePrimary aminesSteric factorsParamagnetic sitesResonance spectroscopyMechanism for photosynthetic O2 evolution.
Brudvig G, Crabtree R. Mechanism for photosynthetic O2 evolution. Proceedings Of The National Academy Of Sciences Of The United States Of America 1986, 83: 4586-4588. PMID: 3460059, PMCID: PMC323785, DOI: 10.1073/pnas.83.13.4586.Peer-Reviewed Original ResearchConceptsO2-evolving complexManganese complexesPhotosynthetic O2 evolutionS2 stateCubane-like complexCubane-like structureIntermediate oxidation statesEPR spectral dataO2 evolutionSpectral dataDisplacement of O2Coordination chemistryOxidation stateO bondS4 stateRecent EPRUV spectral dataManganese sitesStructural conversionComplexesMolecular mechanismsMn4O4ChemistryStructureEPR
1985
Electron transfer in photosystem II at cryogenic temperatures.
De Paula J, Innes J, Brudvig G. Electron transfer in photosystem II at cryogenic temperatures. Biochemistry 1985, 24: 8114-20. PMID: 3004575, DOI: 10.1021/bi00348a042.Peer-Reviewed Original ResearchConceptsS2-state multiline EPR signalMultiline EPR signalElectron donationEPR signalS1 stateCytochrome b559Electron paramagnetic resonance spectroscopyParamagnetic resonance spectroscopyStable charge separationPhotosystem IIChemical oxidationChlorophyll cationElectron transferReaction center concentrationCharge separationElectron donorResonance spectroscopyS2 stateReaction centersTemperature rangeP680Signal speciesCenter concentrationB559Donation pathway
1983
The effect of temperature on the formation and decay of the multiline EPR signal species associated with photosynthetic oxygen evolution
Brudvig G, Casey J, Sauer K. The effect of temperature on the formation and decay of the multiline EPR signal species associated with photosynthetic oxygen evolution. Biochimica Et Biophysica Acta (BBA) - Bioenergetics 1983, 723: 366-371. DOI: 10.1016/0005-2728(83)90042-7.Peer-Reviewed Original ResearchPROPERTIES OF THE S2 STATE ASSOCIATED WITH O2 EVOLUTION
Brudvig G, Casey J, Sauer K. PROPERTIES OF THE S2 STATE ASSOCIATED WITH O2 EVOLUTION. 1983, 159-164. DOI: 10.1016/b978-0-12-372360-4.50023-7.Peer-Reviewed Original ResearchS2 stateMultiline electron paramagnetic resonance (EPR) signalParamagnetic speciesO2 evolutionOxidation state changesPhotosynthetic water oxidationFinal oxidation productsElectron paramagnetic resonance signalS2 state EPR signalsCharge separation eventsS-state advancementMolecule of O2State EPR signalsParamagnetic resonance signalO2-evolving complexWater oxidationPhotosystem IIUnpaired electronOxidation productsEPR signalHyperfine structureResonance signalsSpinach chloroplastsSpeciesHyperfine lines