2024
Water Ligands Regulate the Redox Leveling Mechanism of the Oxygen-Evolving Complex of the Photosystem II
Liu J, Yang K, Long Z, Armstrong W, Brudvig G, Batista V. Water Ligands Regulate the Redox Leveling Mechanism of the Oxygen-Evolving Complex of the Photosystem II. Journal Of The American Chemical Society 2024, 146: 15986-15999. PMID: 38833517, DOI: 10.1021/jacs.4c02926.Peer-Reviewed Original ResearchProton-coupled electron transferOxygen-evolving complexWater insertionWater ligandsCatalytic cycleMolecular dynamicsO-O bondQuantum mechanics/molecular mechanicsConformational changesFree energy changeLigand environmentElectron transferLigand exchangePhotosystem IIOxygen evolutionWater binding mechanismsEnergy changeLigandBinding mechanismAqueous environmentRedoxWater bindingLigand bindingCatalystIsomerizationMultiplexable and Scalable Aqueous Synthesis Platform for Oleate‐Based, Bilayer‐Coated Gold Nanoparticles
Backhaus A, Albrecht J, Alzhanova G, Long A, Arnold W, Lee J, Tse H, Su T, Cruz‐Gomez S, Lee S, Menges F, Parent L, Ratjen L, Burtness B, Fortner J, Zimmerman J. Multiplexable and Scalable Aqueous Synthesis Platform for Oleate‐Based, Bilayer‐Coated Gold Nanoparticles. Small 2024, 20: e2309919. PMID: 38377304, DOI: 10.1002/smll.202309919.Peer-Reviewed Original ResearchGold nanoparticlesReaction scale-upLigand exchangeSpectroscopic investigationsSelf-AssemblyGram levelReaction efficiencyCapping agentSodium oleateSynthesis platformPreparation procedureGold-based nanomaterialsPhysiological pHReactionNanoparticlesSynthesis limitationsSynthesisGrowth processControl resultsParticle concentrationMultiplexingSize precisionConventional thermocyclerScale-upGold
2008
Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Quantum Mechanics/Molecular Mechanics Study of the Catalytic Cycle of Water Splitting in Photosystem II. Journal Of The American Chemical Society 2008, 130: 3428-3442. PMID: 18290643, DOI: 10.1021/ja076130q.Peer-Reviewed Original ResearchConceptsSubstrate water moleculesWater moleculesMu-oxo bridgeOxygen-evolving complexWater splittingQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsQuantum Mechanics/Molecular Mechanics StudySolar fuel production systemsPhotosystem IIX-ray diffraction structureMolecular mechanics studySecond coordination shellCyanobacterium Thermosynechococcus elongatusOxomanganese clusterDioxygen evolutionTerminal ligandsXRD structureCatalytic clustersCP43-R357Ligand exchangeCatalytic reactionCatalytic cycleReaction intermediatesS0 stateNucleophilic attack
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