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Green Oxidation Catalysts: Computational Design of High‐Efficiency Models of Galactose Oxidase

2004; Wiley; Volume: 43; Issue: 25 Linguagem: Inglês

10.1002/anie.200454081

1521-3773

Leonardo Guidoni, Katrin Spiegel, Martin Zumstein, Ursula Röthlisberger,

Enzyme-mediated dye degradation

Angewandte Chemie International EditionVolume 43, Issue 25 p. 3286-3289 Communication Green Oxidation Catalysts: Computational Design of High-Efficiency Models of Galactose Oxidase† Leonardo Guidoni Dr., Leonardo Guidoni Dr. Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320Search for more papers by this authorKatrin Spiegel, Katrin Spiegel Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320 Present address: Statistical and Biological Physics Sector, International School for Advanced Studies, Via Beirut, 4 34014, Trieste, ItalySearch for more papers by this authorMartin Zumstein, Martin Zumstein Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320Search for more papers by this authorUrsula Röthlisberger Prof. Dr., Ursula Röthlisberger Prof. Dr. ursula.roethlisberger@epfl.ch Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320Search for more papers by this author Leonardo Guidoni Dr., Leonardo Guidoni Dr. Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320Search for more papers by this authorKatrin Spiegel, Katrin Spiegel Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320 Present address: Statistical and Biological Physics Sector, International School for Advanced Studies, Via Beirut, 4 34014, Trieste, ItalySearch for more papers by this authorMartin Zumstein, Martin Zumstein Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320Search for more papers by this authorUrsula Röthlisberger Prof. Dr., Ursula Röthlisberger Prof. Dr. ursula.roethlisberger@epfl.ch Institut de chimie moléculaire et biologique Ecole polytechnique fédérale de Lausanne—BCH—LCBC, 1015 Lausanne, Switzerland, Fax: (+41) 21-693-0320Search for more papers by this author First published: 16 June 2004 https://doi.org/10.1002/anie.200454081Citations: 24 † We are grateful to the Swiss Center for Scientific Computing (Large User Project Grant 2002–2003) for providing computational resources. We thank Prof. H. Grützmacher for stimulating discussions and comments to the manuscript. Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat Abstract Ab initio calculations were used for the rational design of efficient alcohol oxidation catalysts that mimic the enzyme galactose oxidase. Different ligand substitutions were explored based on natural (copper, depicted) and alternative (rhodium) metal redox centers. The calculated turnover rate for the most efficient copper-based biomimetic compound is greater than that of the natural enzyme. Citing Literature Supporting Information Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2004/z54081_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. Volume43, Issue25June 21, 2004Pages 3286-3289 RelatedInformation