Redox titration calculations

Redox titration of multiple protein phosphorylations in pea chloroplast thylakoids

Redox titrations were carried out on the protein kinase reactions of isolated pea chloroplast thylakoid membranes. Of the 13 phosphoproteins observed by autoradiography, all were found to titrate with the same midpoint potential of around + 40 mV. Eleven proteins, including LHCII, D1, D2, CP43, a 9 kDa and a 55 kDa protein, were phosphorylated under reducing conditions, with a midpoint potentia...

Redox titration of fluorescence yield of photosystem II.

The variable fluorescence yield of photosystem II is dependent on the redox state of the fluorescence quencher molecule or the primary electron acceptor of the system. We have carried out redox titrations of fluorescence yield of a photochemically active photosystem-II reaction-center particle and have measured the redox potential of the photosystem-II primary acceptor.During reductive titratio...

Coulometric Titration with Electrogenerated Tin(II). Titration of Platinum(IV)

Insights into structure and redox potential of lignin peroxidase from QM/MM calculations.

Redox potentials are computed for the active form (compound I) of lignin peroxidase (LiP) using a suitable QM/MM methodology (B3LYP/SDD/6-311G**//BP86/SVP:CHARMM). Allowing for dynamic conformational averaging, a potential of 0.67(33) V relative to ferrocenium/ferrocene is obtained for the active form with its oxoiron(iv) core. The computed redox potential is very sensitive to the charge distri...

Calculations of One-Electron Redox Potentials of Oxoiron(IV) Porphyrin Complexes.

Density functional theory calculations have been performed to calculate the one-electron redox potential for a series of oxoiron(IV) porphyrin complexes of the form [(TMP)Fe(IV)(O)(L)] (TMP = 5,10,15,20-tetramesitylporphyrinate). Different axial ligands were chosen (L = none, Im, ClO4(-), CH3CO2(-), Cl(-), F(-), SCH3(-)) in order to compare the results with recent electrochemical experiments. T...