Archive

DGIF 2017

Exploiting Excited-State Molecules

Abstract An excited state refers to the transient state that conveys energies greater than that of a state in equilibrium with surrounding media. Among various forms of excited states, electronically excited states are of significant importance because they are intimately […]

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Artificial Photosynthesis with Bioinorganic Catalysts

Abstract Artificial photosynthesis is the capture and conversion of light energy to drive the formation of fuels. In this talk, systems for artificial photosynthesis that incorporate biomolecular catalysts for the hydrogen evolution reaction will be presented. These systems are notable […]

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Computational Studies of Small Molecule Activation at Catalytic Sites in Biological and Non-Biological Environments

Abstract Small-molecule activation is an important goal of catalysis research with broad implications for addressing humankind’s grand challenges associated with energy production and healthcare. Computational chemistry can aid in identifying key factors that enable chemically challenging small-molecule activation reactions. Using […]

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Charge Transfer as Key Principles of C-H bond Activation and Cross Coupling

Abstract Metalloenzymes and metallocofactors in nature often demonstrate uniquely high efficiency that cannot be observed elsewhere. One example is C-H bond activation by non-heme iron enzymes; mononuclear and binuclear iron sites can utilize O2 to form high-valent intermediates that abstract […]

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Site-Selective C–H Bond Oxidation Catalyzed by Mononuclear Nonheme Iron Complexes: Additive Effects of Carboxylic Acids

Abstract Development of selective C−H oxidation catalysts under mild conditions is strongly desired because of the application for the synthesis of complicated organic compounds. A possible approach to this purpose is to mimic biological systems, because some enzymes are capable […]

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Biomimetic Metal-Oxygen Intermediates in Dioxygen Activation Chemistry

Abstract Dioxygen is essential in life processes, and enzymes activate dioxygen to carry out a variety of biological reactions. One primary goal in biomimetic research is to elucidate structures of reactive intermediates and mechanistic details of dioxygen activation and oxygenation […]

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Biomimetic Intermediates in Dioxygen Activation

Abstract The dioxygen activation at the catalytic sites of the enzymes occurs through several steps including the binding of O2 at a reduced metal center, the generation of metal-superoxo and -peroxo species, and the O-O bond cleavage of metal-hydroperoxo complexes […]

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Biomimetic Metal-Oxygen Intermediates in Dioxygen Activation Chemistry

Abstract In the type 3 (T3) copper proteins of biological systems, the coupled dicopper active site reacts with O2 to form the peroxo intermediate species for O2 transportation and substrate oxygenation.  In multicopper oxidases (MCO), the clustering tricopper active site […]

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Physiological Responses to Biotic and Abiotic Stresses through Metalloenzymes

Abstract Tristetraprolin (TTP) uses three cysteine and one histidine residues to bind zinc ions. TTP regulates the expression of cytokines such as tumor necrosis factor α (TNF- α) by binding to AU-rich sequence elements (AREs) located at the 3’-untranslated region […]

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Formally Copper(III) Complexes Relevant to Oxidizing Intermediates in Enzymes

Abstract Characterization of copper intermediates in enzymes and other catalysts that attack strong C-H bonds is important for unraveling oxidation catalysis mechanisms and, ultimately, designing new, more efficient catalytic systems. New insights into the nature of such intermediates may be […]

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