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Issue 13, 2011
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Protonation of the oxygen axial ligand in galactose oxidase model compounds as seen with high resolution X-ray emission experiments and FEFF simulations

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Abstract

X-ray Emission Spectroscopy (XES) crossover peaks were shown to be sensitive to the protonation state of solvent molecules in the Zn protein carbonic anhydrase and its model compounds. Here we extend such studies to galactose oxidase models i.e.Cu(II) open d-shell systems, illustrating that XES combined with FEFF8 simulations reflect changes in the protonation state of the phenolate ligand for the copper center.

Graphical abstract: Protonation of the oxygen axial ligand in galactose oxidase model compounds as seen with high resolution X-ray emission experiments and FEFF simulations

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Publication details

The article was received on 11 Jul 2010, accepted on 22 Dec 2010 and first published on 31 Jan 2011


Article type: Paper
DOI: 10.1039/C0CP01144D
Citation: Phys. Chem. Chem. Phys., 2011,13, 5600-5604

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    Protonation of the oxygen axial ligand in galactose oxidase model compounds as seen with high resolution X-ray emission experiments and FEFF simulations

    A. Mijovilovich, S. Hamman, F. Thomas, F. M. F. de Groot and B. M. Weckhuysen, Phys. Chem. Chem. Phys., 2011, 13, 5600
    DOI: 10.1039/C0CP01144D

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