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 catalystsModeling Electrochemical Vacancy Regeneration in Single-Walled Carbon Nanotubes
Jelušić J, Menzel J, Bertrand Q, Crabtree R, Wang H, Brudvig G, Batista V. Modeling Electrochemical Vacancy Regeneration in Single-Walled Carbon Nanotubes. The Journal Of Physical Chemistry Letters 2024, 15: 7788-7792. PMID: 39048317, DOI: 10.1021/acs.jpclett.4c01293.Peer-Reviewed Original ResearchProton-coupled electron transferDensity functional theorySingle-walled carbon nanotubesC-H bondsQuantum mechanics/molecular mechanicsDiverse catalytic reactionsCarbene characterCarbon nanotubesC-HAdjacent carbonWater dissociationElectron transferCatalytic reactionsCatalytic intermediatesFunctional theoryHydrogen atomsKetone groupForce-fieldCarbon atomsHydroxyl groupsElectrochemical regenerationZigzag single-walled carbon nanotubesElectrochemical potentialKetonesVacancy defects