Sökning: "enzymatic reactions"

Visar resultat 1 - 5 av 121 avhandlingar innehållade orden enzymatic reactions.

  1. 1. Quantum chemical modeling of enzymatic reactions applications to the tautomerase superfamily

    Detta är en avhandling från Stockholm : KTH

    Författare :Robin Sevastik; KTH.; [2008]
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TECHNOLOGY Bioengineering; TEKNIKVETENSKAP Bioteknik;

    Sammanfattning : 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). LÄS MER

  2. 2. 5-Aminolevulinic acid and derivatives thereof properties, lipid permeability and enzymatic reactions

    Detta är en avhandling från Örebro : Örebro universitet

    Författare :Edvin Erdtman; Örebro universitet.; [2010]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES Chemistry Physical chemistry Biophysical chemistry; NATURVETENSKAP Kemi Fysikalisk kemi Biofysikalisk kemi; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; NATURAL SCIENCES Chemistry Theoretical chemistry; NATURVETENSKAP Kemi Teoretisk kemi; Fysikalisk kemi; Physical Chemistry; Biochemistry; Biokemi; 5-Aminolevulinic acid; tautomerization; PDT; DFT; MM; QM MM; Porphobilinogen synthase; Uroporphyrinogen III decarboxylase; membrane penetration; enzyme mechanism;

    Sammanfattning : 5-aminolevulinic acid (5-ALA) and derivatives thereof are widely usedprodrugs in treatment of pre-malignant skin diseases of the cancer treatmentmethod photodynamic therapy (PDT). The target molecule in 5-ALAPDTis protoporphyrin IX (PpIX), which is synthesized endogenously from5-ALA via the heme pathway in the cell. LÄS MER

  3. 3. Dynamic Systems Enzymatic Synthesis, Exchange Reactions and Applications in Materials Science

    Detta är en avhandling från Stockholm : KTH Royal Institute of Technology

    Författare :Yang Zhang; KTH.; [2015]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; constitutional dynamic chemistry; reversible reactions; kinetic resolution; dynamic kinetic resolution; enzyme catalysis; lipase; asymmetric synthesis; racemization; oxazolidinone; organogel; enamine; nitroaldol reaction.;

    Sammanfattning : This thesis is divided into three parts, revolving around the developments of dynamic systems utilized in dynamic kinetic resolution (DKR) and constitutional dynamic chemistry (CDC).The first section gives an introduction to constitutional dynamics, the core concept of this thesis. LÄS MER

  4. 4. Quantum Chemical Modeling of Asymmetric Enzymatic Reactions

    Detta är en avhandling från Stockholm : Department of Organic Chemistry, Stockholm University

    Författare :Maria E. S. Lind; Stockholms universitet.; [2015]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; biocatalysis; enantioselectivity; density functional theory; B3LYP; enzyme; hydrolysis; decarboxylation; Organic Chemistry; organisk kemi;

    Sammanfattning : Computational methods are very useful tools in the study of enzymatic reactions, as they can provide a detailed understanding of reaction mechanisms and the sources of various selectivities. In this thesis, density functional theory has been employed to examine four different enzymes of potential importance for biocatalytic applications. LÄS MER

  5. 5. Quantum Chemical Cluster Modeling of Enzymatic Reactions

    Detta är en avhandling från Stockholm : Department of Organic Chemistry, Stockholm University

    Författare :Rongzhen Liao; Stockholms universitet.; [2010]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; cluster approach; density functional theory; B3LYP; enzyme; mechanism; dinuclear; trinuclear; zinc; tungsten; hydrolysis; decarboxylation; formaldehyde oxidation; hydration; methyl transfer; NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry; NATURVETENSKAP Kemi Teoretisk kemi Kvantkemi; organisk kemi; Organic Chemistry;

    Sammanfattning : The Quantum chemical cluster approach has been shown to be quite powerful and efficient in the modeling of enzyme active sites and reaction mechanisms. In this thesis, the reaction mechanisms of several enzymes have been investigated using the hybrid density functional B3LYP. LÄS MER