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, 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 catalystsMapping the Oxygens in the Oxygen-Evolving Complex of Photosystem II by Their Nucleophilicity Using Quantum Descriptors
Amin M, Kaur D, Brudvig G, Brooks B. Mapping the Oxygens in the Oxygen-Evolving Complex of Photosystem II by Their Nucleophilicity Using Quantum Descriptors. Journal Of Chemical Theory And Computation 2024, 20: 1414-1422. PMID: 38306696, DOI: 10.1021/acs.jctc.3c00926.Peer-Reviewed Original ResearchConceptual density functional theoryOxygen-evolving complexQuantum descriptorsBridging oxygenSolar energy to chemical energyEnergy to chemical energyWater splitting reactionOxygen-evolving complex of photosystem IIReactivity of moleculesDensity functional theoryComplex of photosystem IIDual descriptorFukui functionsNucleophilic attackTerminal waterArtificial catalystsAtomic contributionsModel compoundsFunctional theoryReaction mechanismNucleophilesPhotosystem IIElectrophilesMn4Chemical energy