Sökning: "biomimetic catalysis"

Visar resultat 1 - 5 av 18 avhandlingar innehållade orden biomimetic catalysis.

  1. 1. Biomimetic Transition Metal Catalysts : Insights from Theoretical Modeling

    Författare :Adam Johannes Johansson; Per E. M. Siegbahn; Margareta R. A. Blomberg; Per-Ola Norrby; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Catalysis; biomimetic; copper; non-heme iron; heme iron; O2 cleavage; H-atom transfer; radical chemistry; redox chemistry; thermo chemistry; entropy calculations; quantum chemistry; spin states; density functional theory DFT ; self-interaction error SIE .; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Sammanfattning : The scientific interest in the chemistry of synthetic transition metal complexes is motivated by at least two arguments:1.These can be regarded as models of biological transition metal complexes, e.g. metalloenzymes, whose functions can be difficult to reveal in detail due to their complexity. LÄS MER

  3. 2. Flavins as Biomimetic Catalysts for Sulfoxidation by H2O2 : Catalyst Immobilization in Ionic Liquid for H2O2 Oxidations

    Författare :Auri Lindén; Jan-Erling Bäckvall; Peter Somfai; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; biomimetic; oxidation; catalysis; ionic liquid; hydrogen peroxide; Organic chemistry; Organisk kemi;

    Sammanfattning : This thesis deals with the development of catalytic oxidation reactions utilizing hydrogen peroxide as terminal oxidant. The main focus has been to find flavin catalysts that are easy to handle and stable to store but still able to perform the desired reaction. LÄS MER

  4. 3. Transition Metal Hydrides : Biomimetic Studies and Catalytic Applications

    Författare :Jesper Ekström; Hans Adolfsson; Jonathan Williams; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; transition metals; catalysis; bioinorganic chemistry; hydrides; Organic chemistry; Organisk kemi; Organic Chemistry; organisk kemi;

    Sammanfattning : In this thesis, studies of the nature of different transition metal-hydride complexes are described. The first part deals with the enantioswitchable behaviour of rhodium complexes derived from amino acids, applied in asymmetric transfer hydrogenation of ketones. LÄS MER

  5. 4. Mimicking Nature – Synthesis and Characterisation of Manganese Complexes of Relevance to Artificial Photosynthesis

    Författare :Gustav Berggren; F. Magnus Anderlund; Leif Hammarström; Vincent Pecoraro; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Manganese; biomimetic; artificial photosynthesis; water splitting; homogeneous catalysis; Chemistry; Kemi; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : The development of efficient catalyst for water oxidation is of paramount importance to artificial photosynthesis, but before this can be achieved a deeper understanding of this reaction is essential. In nature this reaction occurs in a tetranuclear Mn-cluster which serves as the work-horse of oxygenic photosynthesis. LÄS MER

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

    Författare :Valentin Georgiev; Per E.M. Siegbahn; Sam de Visser; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; catalysis; density functional theory; extradiol; intradiol; dioxygenases; oxygen; biomimetic complexes; heme; spin transition; adipic acid; Chemical physics; Kemisk fysik; kvantkemi; Quantum Chemistry;

    Sammanfattning : 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. LÄS MER