Search for dissertations about: "Metalloenzymes"

Showing result 1 - 5 of 13 swedish dissertations containing the word Metalloenzymes.

  1. 1. Reaction mechanism of metalloenzymes studied by theoretical methods

    University dissertation from Lund University, Faculty of Science, Department of Chemistry, Division of Theoretical Chemistry

    Author : Geng Dong; Lund University.; Lunds universitet.; [2018-05]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Metalloenzymes; Reaction mechanism; QM MM; DFT; DMRG; CAS-srDFT; Big-QM; QTCP;

    Abstract : Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. READ MORE

  2. 2. Hydrolytic and oxidative catalytic activities of bio-inspired dinuclear metal complexes

    University dissertation from Department of Chemistry, Lund University

    Author : Biswanath Das; Lund University.; Lunds universitet.; [2013]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Bioinorganic Chemistry; Metalloenzymes; Catalyst; Transition states; Phosphoesterase;

    Abstract : A number of homo- and heterodinuclear complexes have been synthesized as structural and functional models for the the active sites of phosphoesterases and soluble methane monooxygenases. The complexes are based on four new dinucleating ligands containing a central, potentially bridging, phenolate moiety. READ MORE

  3. 3. Reaction mechanisms in metal-containing systems with emphasis on metalloenzymes : quantum chemical studies

    University dissertation from Stockholm : Stockholm University

    Author : Maria Wirstam; Stockholms universitet.; [2000]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Physics; fysik;

    Abstract : .... READ MORE

  4. 4. Mechanistic Studies of Dinuclear Metalloenzymes - A Model Approach

    University dissertation from Håkan Carlsson, Inorganic Chemistry, Kemicentrum, Lund University, P.O. Box 124, SE-221 00 Lund, Sweden

    Author : Håkan Carlsson; Lund University.; Lunds universitet.; [2003]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; models; Enzymes; bioinorganic chemistry; dinuclear; urease; nickel; zinc triphosphoesterase; Oorganisk kemi; Inorganic chemistry;

    Abstract : With the goal to study the mechanisms of dinuclear metalloenzymes, a new line of synthetic and computational models were prepared and studied. Mixed imidazole and carboxylate multidentate complexes were synthesized to better simulate carboxylate-rich ligand environments. READ MORE

  5. 5. Reaction Mechanisms of Metalloenzymes and Synthetic Model Complexes Activating Dioxygen A Computational study

    University dissertation from Stockholm : Department of Physics, Stockholm University

    Author : Valentin Georgiev; Stockholms universitet.; [2009]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; catalysis; density functional theory; extradiol; intradiol; dioxygenases; oxygen; biomimetic complexes; heme; spin transition; adipic acid; NATURAL SCIENCES Physics Atomic and molecular physics Chemical physics; NATURVETENSKAP Fysik Atom- och molekylfysik Kemisk fysik; Quantum Chemistry; kvantkemi;

    Abstract : Quantum chemistry has nowadays become a powerful and efficient tool that can be successfully used for studies of biosystems. It is therefore possibleto model the enzyme active-site and the reactions undergoing into it, as well as obtaining quite accurate energetic profiles. READ MORE