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Superoxide radical (O2.-) is the univalent reduction product of molecular oxygen and belongs to the group of the so-called toxic oxygen derivatives. For years the only enzymatic system known to catalyze the elimination of superoxide was the…

Biomolecules · Quantitative Biology 2014-12-09 Vincent Nivière , Murielle Lombard

The superoxide radical O(2)(-.) is a toxic by-product of oxygen metabolism. Two O(2)(-.) detoxifying enzymes have been described so far, superoxide dismutase and superoxide reductase (SOR), both forming H2O2 as a reaction product. Recently,…

Some sulfate-reducing and microaerophilic bacteria rely on the enzyme superoxide reductase (SOR) to eliminate the toxic superoxide anion radical (O2*-). SOR catalyses the one-electron reduction of O2*- to hydrogen peroxide at a nonheme…

Biomolecules · Quantitative Biology 2015-01-08 Virgile Adam , Antoine Royant , Vincent Nivière , Fernando P Molina-Heredia , Dominique Bourgeois

Superoxide reductase (SOR) is a small metalloenzyme that catalyzes reduction of O(2)(*)(-) to H(2)O(2) and thus provides an antioxidant mechanism against superoxide radicals. Its active site contains an unusual mononuclear ferrous center,…

Chemical Physics · Physics 2015-01-08 M. Lombard , C. Houée-Levin , D. Touati , M. Fontecave , V. Nivière

Due to the permanent harm to human health and ecosystem balance, antibiotic pollution in water has become an important direction of current environmental governance. Spherical metal oxides (SMOs) have been frequently utilized as effective…

Biological Physics · Physics 2024-03-27 Ke Zhu , Xin Li , Yuwen Chen , Yizhe Huang , Zhiyu Yang , Guoqing Guan , Kai Yan

Oxygen evolution reaction (OER) with intractable high overpotential is the rate-limiting step for rechargeable metal-air battery, water electrolysis systems, and solar fuels devices. There exists a spin state transition from spin singlet…

Materials Science · Physics 2020-04-14 Xiaoning Li , Zhenxiang Cheng , Xiaolin Wang

Iron-peroxide intermediates are central in the reaction cycle of many iron-containing biomolecules. We trapped iron(III)-(hydro)peroxo species in crystals of superoxide reductase (SOR), a nonheme mononuclear iron enzyme that scavenges…

Superoxide dismutase-1 (SOD1) is a ubiquitous, Cu and Zn binding, free radical defense enzyme whose misfolding and aggregation play a potential key role in amyotrophic lateral sclerosis, an invariably fatal neurodegenerative disease. Over…

Biomolecules · Quantitative Biology 2013-02-20 Atanu Das , Steven S. Plotkin

Water is a life-giving source, fundamental to human existence, yet, over a billion people lack access to clean drinking water. Present techniques for water treatment such as piped, treated water rely on time and resource intensive…

Chemical Physics · Physics 2016-07-26 Venkatasubramanian Viswanathan , Heine A. Hansen , Jens K. Nørskov

Electrocatalysts for the oxygen evolution reaction (OER) are an important component for the transition from fossil to sustainable energy. Commercialization of cost-effective earth-abundant electrocatalysts is in large parts hindered by…

Chemical Physics · Physics 2022-10-31 Marcel Risch

Desulfoferrodoxin is a small protein found in sulfate-reducing bacteria that contains two independent mononuclear iron centers, one ferric and one ferrous. Expression of desulfoferrodoxin from Desulfoarculus baarsii has been reported to…

Biomolecules · Quantitative Biology 2014-12-17 M Lombard , M Fontecave , D Touati , V Nivière

Cerium oxide nanoparticles are known to catalyze the decomposition of reactive oxygen species such as superoxide radical and hydrogen peroxide. Herein, we examine the superoxide dismutase (SOD) and catalase (CAT) mimetic catalytic…

Materials Science · Physics 2021-09-21 V. Baldim , F. Bedioui , N. Mignet , I. Margaill , J. -F. Berret

Supramolecular assemblies have gained tremendous attention due to their apparent ability to catalyze reactions with the efficiencies of natural enzymes. Using Born-Oppenheimer molecular dynamics and density functional theory, we identify…

Chemical Physics · Physics 2019-12-06 Valerie Vaissier Welborn , Wan-Lu Li , Teresa Head-Gordon

Metal oxides have been extensively investigated and applied in environmental remediation and protection, energy conversion and storage. Most of these diverse applications are results of a large diversity of the electronic states of metal…

Applied Physics · Physics 2019-02-18 Cong Wang

Understanding the atomic mechanism of low-temperature CO oxidation on a heterogeneous catalyst is challenging. We performed density functional theory (DFT) calculations to identify the surface structure and reaction mechanism responsible…

Chemical Physics · Physics 2019-05-08 Yongeseon Kim , Hosik Lee , Ja Hun Kwak

The formation of highly reactive oxygen species (ROS) on metal oxide surfaces have attracted considerable interest due to their diverse applications. In this work, we have performed densi-ty-functional theory calculations to investigate the…

Chemical Physics · Physics 2016-08-18 Zhenjun Song , Hu Xu

Stable oxygen sites on a PdO film over a Pd(100) thin structures with a (sqrt{5} times sqrt{5}) R27^circ surface-unit cell are determined using the first-principles electronic structure calculations with the generalized gradient…

Materials Science · Physics 2015-05-14 K. Kusakabe , K. Harada , Y. Ikuno , H. Nagara

The detection, removal and reduction of hydrogen peroxide is of significant importance for its increasing application in the areas of environment, food, electrochemistry and clinical laboratory. Herein the dissociative adsorption behavior…

Chemical Physics · Physics 2017-12-19 Zhenjun Song , Bin Zhao , Qiang Wang , Peng Cheng

Superoxide reductase SOR is a non-heme iron metalloenzyme that detoxifies superoxide radical in microorganisms. Its active site consists of an unusual non-heme Fe2+ center in a [His4 Cys1] square pyramidal pentacoordination, with the axial…

In this work we outline the mechanisms contributing to the oxygen reduction reaction in nanostructured cathodes of La0.8Sr0.2MnO3 (LSM) for Solid Oxide Fuel Cells (SOFC). These cathodes, developed from LSM nanostructured tubes, can be used…

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