2024
Mapping 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
2011
Photosynthesis: Energy Conversion
Ulas G, Brudvig G. Photosynthesis: Energy Conversion. 2011 DOI: 10.1002/9781119951438.eibc0455.Peer-Reviewed Original ResearchSolar fuel productionSustainable solar fuel productionWater oxidation catalysisWater oxidation catalystsLight-driven oxidationNatural photosynthetic systemsHigh-energy chemicalsEnergy conversionCarbon dioxide reductionSolar energy conversionFuel productionArtificial photosynthesisWater oxidationRedox levelingHalf reactionOxygenic photosynthesisElectron transferCatalytic turnoverCatalytic mechanismChemical energyDirect light absorptionElectron transport machineryLight absorptionPhotosynthetic systemsLight energy capture
2005
The mechanism of photosynthetic water splitting
McEvoy J, Gascon J, Batista V, Brudvig G. The mechanism of photosynthetic water splitting. Photochemical & Photobiological Sciences 2005, 4: 940-949. PMID: 16307106, DOI: 10.1039/b506755c.Peer-Reviewed Original ResearchConceptsProtein complex photosystem IIOxygen-evolving complexWater splittingPhotosynthetic water splittingGreen plant chloroplastsMolecular mechanics calculationsPhotosynthetic light reactionsRecent experimental resultsElectron transfer pathwayX-ray crystallographic modelSource of electronsProton concentration gradientPlant chloroplastsProduct protonsMechanics calculationsOxygenic photosynthesisDioxygen gasThylakoid lumenAerobic lifeElectronsThylakoid membranesCatalytic mechanismChemical energyPhotosystem IIManganese ionsPhotosynthesis: Energy Conversion
Ulas G, Brudvig G. Photosynthesis: Energy Conversion. 2005 DOI: 10.1002/0470862106.ia805.Peer-Reviewed Original ResearchSolar fuel productionSustainable solar fuel productionWater oxidation catalysisWater oxidation catalystsLight-driven oxidationNatural photosynthetic systemsHigh-energy chemicalsEnergy conversionCarbon dioxide reductionSolar energy conversionFuel productionArtificial photosynthesisWater oxidationRedox levelingHalf reactionOxygenic photosynthesisElectron transferCatalytic turnoverCatalytic mechanismChemical energyDirect light absorptionElectron transport machineryLight absorptionPhotosynthetic systemsLight energy capture