2024
Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels
Flesher D, Liu J, Wang J, Gisriel C, Yang K, Batista V, Debus R, Brudvig G. Mutation-induced shift of the photosystem II active site reveals insight into conserved water channels. Journal Of Biological Chemistry 2024, 300: 107475. PMID: 38879008, PMCID: PMC11294709, DOI: 10.1016/j.jbc.2024.107475.Peer-Reviewed Original ResearchOxygen-evolving complexPhotosystem II active sitePhotosystem IIJahn-Teller distortionPhotosystem II complexD1-Asp170Jahn-TellerResolution cryo-EM structureMutation-induced structural changesCryo-EM structureMagnetic propertiesD1 subunitActive siteOxygenic photosynthesisMutagenesis studiesLight-driven water oxidationSpectroscopic propertiesStructural basisSpectroscopic dataAmino acidsWater oxidation mechanismPhotosystemMutationsMutation-induced shiftWater oxidation
2018
Chapter 5 Magnetic Particle Imaging (MPI)
Zanganeh S, Aieneravaie M, Erfanzadeh M, Ho J, Spitler R. Chapter 5 Magnetic Particle Imaging (MPI). 2018, 115-133. DOI: 10.1016/b978-0-08-101925-2.00004-8.Peer-Reviewed Original ResearchSuperparamagnetic iron oxide nanoparticlesMagnetic particle imagingIron oxide nanoparticlesBiomedical applicationsMapping magnetic nanoparticlesOxide nanoparticlesMagnetic nanoparticlesIn vivo biomedical applicationsApplications of iron oxide nanoparticlesParticle imagesNanoparticlesMagnetic propertiesAlloyImaging modalitiesBiocompatibilityApplications
2007
Magnetic structure of free cobalt clusters studied with Stern-Gerlach deflection experiments
Payne F, Jiang W, Emmert J, Deng J, Bloomfield L. Magnetic structure of free cobalt clusters studied with Stern-Gerlach deflection experiments. Physical Review B 2007, 75: 094431. DOI: 10.1103/physrevb.75.094431.Peer-Reviewed Original ResearchDeflection experimentsSuperparamagnetic modelMagnetic structureAdiabatic magnetizationCobalt clustersMagnetic momentMagnetic propertiesLangevin functionMagnetization behaviorFree clustersCluster sizeCluster temperatureExhibit behaviorShell structureMomentSuperparamagnetismMagnetizationAtomsModelOscillationsClustersFluctuations
2006
Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: Evaluation of the DFT/B3LYP level of theory
Sproviero EM, Gascon JA, McEvoy JP, Brudvig GW, Batista VS. Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: Evaluation of the DFT/B3LYP level of theory. Journal Of Inorganic Biochemistry 2006, 100: 786-800. PMID: 16510187, DOI: 10.1016/j.jinorgbio.2006.01.017.Peer-Reviewed Original ResearchConceptsDFT/B3LYP levelOxomanganese complexesDFT/B3LYPB3LYP levelDensity functional theory (DFT) B3LYP levelBecke-3-LeeOxygen-evolving complexPhotosystem IISpin electronic statesInorganic coreImidazole ligandsMn complexesMu-oxoMagnetic experimental dataElectronic propertiesModest basis setsBasis setHybrid densityMechanistic studiesMn trimersComplexesMagnetic propertiesB3LYPTetramerBenchmark calculationsDensity Functional Theory and DFT+U Study of Transition Metal Porphines Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields
Leung K, Rempe S, Schultz P, Sproviero E, Batista V, Chandross M, Medforth C. Density Functional Theory and DFT+U Study of Transition Metal Porphines Adsorbed on Au(111) Surfaces and Effects of Applied Electric Fields. Journal Of The American Chemical Society 2006, 128: 3659-3668. PMID: 16536538, DOI: 10.1021/ja056630o.Peer-Reviewed Original ResearchDensity functional theoryPorphine moleculeTransition metal ion complexesFunctional theoryMetal ion complexesLow-spin ground stateIon spin statesSpin-state orderingIon complexesGold substrateSubstituted porphyrinsDFT calculationsErnzerhof (PBE) exchange correlationCovalent bondingUseful general methodApplied Electric FieldPorphine macrocycleD electronsState orderingPerdew-BurkeAdsorptionMagnetic propertiesExchange correlationSpin statesMn d electrons
2003
Structure and magnetic properties of perovskite Sr2CuNbO6−δ
Sun Z, Chen X, Fan R, Luo X, Li L. Structure and magnetic properties of perovskite Sr2CuNbO6−δ. Journal Of Physics And Chemistry Of Solids 2003, 64: 59-62. DOI: 10.1016/s0022-3697(02)00211-1.Peer-Reviewed Original Research
1997
The Tetranuclear Manganese Cluster in Photosystem II: Location and Magnetic Properties of the S2 State As Determined by Saturation−Recovery EPR Spectroscopy †
Koulougliotis D, Schweitzer R, Brudvig G. The Tetranuclear Manganese Cluster in Photosystem II: Location and Magnetic Properties of the S2 State As Determined by Saturation−Recovery EPR Spectroscopy †. Biochemistry 1997, 36: 9735-9746. PMID: 9245405, DOI: 10.1021/bi970326t.Peer-Reviewed Original ResearchConceptsFirst excited spin stateSpin-lattice relaxationSpin statesMagnetic propertiesExcited spin statesS2-state multiline EPRNuclear spin-lattice relaxationSpin-lattice relaxation propertiesEffective magnetic momentLine shapeUntreated photosystem IIMagnetic momentDifferent spin statesDipolar modelNear resonanceGround spin stateSaturation-recovery EPR spectroscopyNuclear relaxation processesLarmor frequencyOrbach mechanismGreater relaxation enhancementTemperature-dependent enhancementDipole-dipole interactionTetranuclear manganese clusterS2-state multiline EPR signal
1995
High-valent oxomanganese clusters: structural and mechanistic work relevant to the oxygen-evolving center in photosystem II
Manchanda R, Brudvig G, Crabtree R. High-valent oxomanganese clusters: structural and mechanistic work relevant to the oxygen-evolving center in photosystem II. Coordination Chemistry Reviews 1995, 144: 1-38. DOI: 10.1016/0010-8545(95)01147-h.Peer-Reviewed Original ResearchO2-evolving centerActive siteOxygen-evolving centerPhotosystem IIOxomanganese clusterBioinorganic chemistryInorganic chemistsWater oxidationComplex chemistryMechanistic aspectsBiophysical studiesChemistryMagnetic propertiesNative enzymeMechanistic workPS IINuclearityChemistsMetalloproteinsSuch clustersConsiderable interestOxidationRecent effortsChemicalsTetramer
1990
Electron Spin-Lattice Relaxation of the Stable Tyrosine Radical D+ in Photosystem II
Beck W, Innes J, Brudvig G. Electron Spin-Lattice Relaxation of the Stable Tyrosine Radical D+ in Photosystem II. 1990, 817-820. DOI: 10.1007/978-94-009-0511-5_188.Peer-Reviewed Original ResearchMn complexesO2-evolving centerDark stable S1 statePhotosystem IIPhotosynthetic H2O oxidationElectron paramagnetic resonance spectraRedox-active sitesWeak dipolar couplingsParamagnetic resonance spectraH2O oxidationOxidation stateTyrosine radicalsDipolar couplingsResonance spectraS0 stateS1 stateTyr-160D2 polypeptidesRelaxation propertiesSpin-lattice relaxation rateMagnetic propertiesElectron spin-lattice relaxation rateSpin-lattice relaxationComplexesRelaxation rate
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
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