Sökning: "Arianna Bassan"

Hittade 1 avhandling innehållade orden Arianna Bassan.

1. 1. Theoretical studies of mononuclear non-heme iron active sites

   Författare :Arianna Bassan; Per E. M. Siegbahn; Sason Shaik; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; enzyme catalysis; iron enzymes; Quantum chemistry; Kvantkemi;

   Sammanfattning : The quantum chemical investigations presented in this thesis use hybrid density functional theory to shed light on the catalytic mechanisms of mononuclear non-heme iron oxygenases, accommodating a ferrous ion in their active sites. More specifically, the dioxygen activation process and the subsequent oxidative reactions in the following enzymes were studied: tetrahydrobiopterin-dependent hydroxylases, naphthalene 1,2-dioxygenase and α-ketoglutarate-dependent enzymes. LÄS MER