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Quantum chemistry as a tool in bioenergetics
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum. Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för biokemi och biofysik.
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum. Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för biokemi och biofysik.
2010 (engelsk)Inngår i: Biochimica et Biophysica Acta - Bioenergetics, ISSN 0005-2728, E-ISSN 1879-2650, Vol. 1797, nr 2, s. 129-142Artikkel, forskningsoversikt (Fagfellevurdert) Published
Abstract [en]

Recent developments of quantum chemical methods have made it possible to tackle crucial questions in bioenergetics. The most important systems, cytochrome c oxidase in cellular respiration and photosystem II (PSII) in photosynthesis will here be used as examples to illustrate the power of the quantum chemical tools. One main contribution from quantum chemistry is to put mechanistic suggestions onto an energy scale. Accordingly, free energy profiles can be constructed both for reduction of molecular oxygen in cytochrome c oxidase and water oxidation in PSII, including O-O bond cleavage and formation, and also proton pumping in cytochrome c oxidase. For the construction of the energy diagrams, the computational results sometimes have to be combined with experimental information, such as reduction potentials and rate constants for individual steps in the reactions.

sted, utgiver, år, opplag, sider
2010. Vol. 1797, nr 2, s. 129-142
Emneord [en]
Quantum chemistry, Cytochrome c oxidase, Photosynthesis, Reaction mechanisms, Proton pumping
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Identifikatorer
URN: urn:nbn:se:su:diva-49286DOI: 10.1016/j.bbabio.2009.10.004ISI: 000274574200002OAI: oai:DiVA.org:su-49286DiVA, id: diva2:378337
Merknad
authorCount :2Tilgjengelig fra: 2010-12-15 Laget: 2010-12-13 Sist oppdatert: 2017-12-11bibliografisk kontrollert

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Blomberg, Margareta R. A.Siegbahn, Per E. M.
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