Chemical Physics Letters 695 (2018) 158–161 Contents lists available at ScienceDirect Chemical Physics Letters journal homepage: www.elsevier.com/locate/cplett Research paper Conformational control of cofactors in nature: The effect of methoxy group orientation on the electronic structure of ubisemiquinone a b Wagner B. De Almeida , Patrick J. O’Malley Departamento de Química Inorgânica, Instituto de Química, Universidade Federal Fluminense, Campus do Valonguinho, Centro, Niterói, RJ CEP: 24020-141, Brazil School of Chemistry, The University of Manchester, Oxford Road, Manchester M13 9PL, UK ar ti c l e i nf o ab stra ct Article history: Ubiquinone is the key electron and proton transfer agent in biology. Its mechanism involves the forma- Received 8 November 2017 tion of its intermediate one-electron reduced form, the ubisemiquinone radical. This is formed in a In ﬁnal form 22 December 2017 protein-bound form which permits the semiquinone to vary its electronic and redox properties. This Available online 24 December 2017 can be achieved by hydrogen bonding acceptance by one or both oxygen atoms or as we now propose by restricted orientations for the methoxy groups of the headgroup. We show how the orientation of Keywords: the two methoxy groups of the quinone headgroup affects the electronic structure
Chemical Physics Letters – Elsevier
Published: Mar 1, 2018
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