Quantum chemistry as a tool in bioenergetics

被引：49

作者：

Blomberg, Margareta R. A. ^{[1
]}

Siegbahn, Per E. M.

机构：

[1] Stockholm Univ, Dept Phys, AlbaNova Univ Ctr, SE-10691 Stockholm, Sweden

来源：

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS | 2010年 / 1797卷 / 02期

关键词：

Quantum chemistry; Cytochrome c oxidase; Photosynthesis; Reaction mechanisms; Proton pumping; CYTOCHROME-C-OXIDASE; OXYGEN-EVOLVING COMPLEX; PROTON-PUMPING MECHANISM; O BOND FORMATION; PHOTOSYSTEM-II; MECHANICS/MOLECULAR MECHANICS; RESOLUTION STRUCTURE; MANGANESE COMPLEX; CATALYTIC CYCLE; WATER OXIDATION;

D O I：

10.1016/j.bbabio.2009.10.004

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

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. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：129 / 142

页数：14

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