2011
Pharmaceutical formulation affects titanocene transferrin interactions
Buettner K, Snoeberger R, Batista V, Valentine A. Pharmaceutical formulation affects titanocene transferrin interactions. Dalton Transactions 2011, 40: 9580-9588. PMID: 21847473, DOI: 10.1039/c1dt10805k.Peer-Reviewed Original ResearchConceptsTitanocene dichlorideHuman serum transferrinUV/FT-ICR mass spectrometryMolar absorptivityPH-dependent speciationDifferent molar absorptivitiesDFT calculationsSynergistic anionFluorescence quenchingPharmaceutical formulationsMass spectrometryTransfer energyAnticancer activitySerum transferrinAnticancer drugsPhase II human clinical trialsAbsorptivityNMRAnionsHuman clinical trialsDichloridePotential vehicleSpectrometryTi
2008
Computational insights into the O2-evolving complex of photosystem II
Sproviero EM, McEvoy JP, Gascón JA, Brudvig GW, Batista VS. Computational insights into the O2-evolving complex of photosystem II. Photosynthesis Research 2008, 97: 91-114. PMID: 18483777, PMCID: PMC2728911, DOI: 10.1007/s11120-008-9307-0.Peer-Reviewed Original ResearchConceptsOxygen-evolving complexX-ray diffractionQuantum mechanics/molecular mechanics (QM/MM) hybrid methodsPhotosystem IIMass spectrometryX-ray absorption fine structure spectroscopyExtended X-ray absorption fine structure (EXAFS) spectroscopyQM/MM modelingElectron paramagnetic resonance spectroscopyAbsorption fine structure spectroscopyCatalytic metal clustersWater splitting reactionIntermediate oxidation statesParamagnetic resonance spectroscopyFine structure spectroscopyO2-evolving complexDensity functional theoryInorganic coreMM modelingOxidation stateMetal clustersStructure spectroscopyOEC structureCrystallographic resultsComputational insights