Sökning: "Fahmi Himo"

Visar resultat 1 - 5 av 17 avhandlingar innehållade orden Fahmi Himo.

  1. 1. Quantum chemical studies of radical enzymes

    Författare :Fahmi Himo; Robert J Deeth; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; Theoretical Physics; teoretisk fysik;

    Sammanfattning : .... LÄS MER

  2. 2. Quantum Chemical Modeling of Binuclear Zinc Enzymes

    Författare :Shilu Chen; Fahmi Himo; Luca De Gioia; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Quantum Chemical Modeling; Binuclear; Zinc; Enzyme; DFT; Mechanism; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : In the present thesis, the reaction mechanisms of several di-zinc hydrolases have been explored using quantum chemical modeling of the enzyme active sites. The studied enzymes are phosphotriesterase (PTE), aminopeptidase from Aeromonas proteolytica (AAP), glyoxalase II (GlxII), and alkaline phosphatase (AP). LÄS MER

  3. 3. Quantum Chemical Modeling of Phosphoesterase Mimics and Chemistry in Confined Spaces

    Författare :Henrik Daver; Fahmi Himo; Gregori Ujaque; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; density functional theory; catalysis; phosphoester hydrolysis; transesterification; supramolecular chemistry; inclusion complex; host-guest chemistry; cycloaddition; Organic Chemistry; organisk kemi;

    Sammanfattning : In this thesis, density functional theory is employed in the study of two kinds of systems that can be considered to be biomimetic in their own ways. First, three binuclear metal complexes, synthesized by the group of Prof. Ebbe Nordlander, have been investigated. LÄS MER

  4. 4. Quantum Chemical Modelling of Biomimetic Phosphoesterase Complexes

    Författare :Henrik Daver; Fahmi Himo; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP;

    Sammanfattning : Phosphoesterases are a class of enzymes that catalyze hydrolysis of phosphoester bonds. They facilitate the modification of nucleic acid sequences, as well as the breakdown of rest products of warfare agents and insecticides. In this thesis, three biomimetic complexes that perform the same tasks are studied using density functional theory. LÄS MER

  5. 5. A theoretical study of 5-Aminolevulinic acid and its esters : properties and lipid permeability

    Författare :Edvin Erdtman; Leif Eriksson; Fahmi Himo; Örebro universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Biophysical chemistry; Biofysikalisk kemi; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : 5-aminolevulinic acid (5ALA) is a widely used prodrug in Photodynamic therapy (PDT). The target molecule in 5ALA-PDT is Protoporphyrin IX (PpIX), which is synthesized endogenously via the heme pathway in the cell. LÄS MER