Search for dissertations about: "active-site models"

Showing result 1 - 5 of 38 swedish dissertations containing the words active-site models.

  2. 1. Mimicking the Outer Coordination Sphere in [FeFe]-Hydrogenase Active Site Models : From Extended Ligand Design to Metal-Organic Frameworks

    Author : Sonja Pullen; Sascha Ott; Patrick L. Holland; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; [FeFe]-hydrogenases; outer coordination sphere; model complexes; biomimetic catalysis; artificial photosynthesis; metal-organic frameworks;

    Abstract : Biomimetic catalysis is an important research field, as a better understanding of nature´s powerful toolbox for the conversion of molecules can lead to technological progress. [FeFe]-hydrogenases are very efficient catalysts for hydrogen production. These enzymes play a crucial role in the metabolism of green algae and certain cyanobacteria. READ MORE

  4. 2. Adjuvant therapies to fluid resuscitation in experimental sepsis : Intervention studies in models of ARDS and peritonitis

    Author : Annelie Barrueta Tenhunen; Gaetano Perchiazzi; Johanna Hästbacka; Uppsala universitet; []
    Keywords : Acute respiratory distress syndrome; edema formation; peritonitis; sepsis; fluid resuscitation; animal model; Anestesiologi och intensivvård; Anaesthesiology and Intensive Care;

    Abstract : Fluid resuscitation is essential to antagonize the deleterious effects of tissue hypo-perfusion in sepsis. If not thoroughly monitored and individually tailored, fluid therapy increases the risk of volume overload. Volume overload is associated with higher mortality in sepsis. READ MORE

  5. 3. Iron, Manganese and Iridium Complexes From Models of RNR and Catalase to Water Oxidation

    Author : Michele Bedin; Anders Dr. Thapper; Sascha Prof. Ott; Vadim G. Kessler; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Iron; manganese; MnCAT; RNR; biomimetic; Kemi; Chemistry;

    Abstract : The focus of this thesis has been synthesise and study metal complexes that mimic the structure and function of the active site in two particular metalloenzymes, ribonucleotide reductase (RNR) and manganese catalase (MnCAT). These two metalloenzymes both have two transition metals ions in the cofactor: two manganese ions in MnCAT and either two iron, iron-manganese or two manganese ions in RNR. READ MORE

  6. 4. Quantum Chemical Modeling of Enzymatic Methyl Transfer Reactions

    Author : Polina Georgieva; Fahmi Himo; Nino Russo; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; reaction mechanism; Theoretical chemistry; Teoretisk kemi;

    Abstract : In this thesis, quantum chemistry, in particular the B3LYP density functional method, is used to investigate a number of methyl transfer enzymes. Quantum chemical methodology is today a very important tool in the elucidation of properties and reaction mechanisms of enzyme active sites. READ MORE

  7. 5. Quantum chemical modeling of enzymatic reactions : applications to the tautomerase superfamily

    Author : Robin Sevastik; Fahmi Himo; Margaretha Blomberg; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Bioengineering; Bioteknik;

    Abstract : In this thesis, quantum chemical methods are used to investigate enzymatic reaction mechanisms. The Density functional theory, in particular the hybrid B3LYP functional, is used to model two enzymes belonging to the tautomerase superfamily; 4-Oxalocrotonate Tautomerase (4-OT) and cis-Chloroacrylic Acid Dehalogenase (cis-CAAD). READ MORE