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Article pubs.acs.org/JPCB Experimental and Computational Evidence of Metal‑O2 Activation and Rate-Limiting Proton-Coupled Electron Transfer in a Copper Amine Oxidase
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Document Date: 2013-02-13 19:57:07


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File Size: 2,40 MB

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Cambridge Isotopes Laboratories / Cu(I) and Co / Cu and Co / Millipore / C/D / Agilent / /

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active site / redox-active metal / metal / unidentified site / anaerobic solution / reduced metal / nonmetal binding site / intrinsic free energy barrier / metal ion / metal bound superoxide / hydrogen bond network / potential solution / triplet energy surface / free energy barrier / reduced transition metal / metal center / Metal substitution / quartet energy surface / higher energy pathway / transition metal complexes / active site metal / metal cofactor / anaerobic solutions / active site metal ion / gas phase / gas phase frequencies / energy / /

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Montana State University / United States Department of Chemistry and Biochemistry / Johns Hopkins University / University of Waterloo / University of Miami / Department of Chemistry / /

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Justine P. Roth / Doreen Brown / ‡ Alfredo / Coral Gables / Rajeev Prabhakar / Alfredo M. Angeles-Boza / David M. Dooley / Mehmet Ozbil / § Doreen / /

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D2O / O2 / /

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Montana / Maryland / Florida / CuI / CoII TPQsq•+ / /

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X-ray / thermodynamics / condensation / spectroscopy / same protocol / calibrated DFT protocol / 3G / /

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