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Visar resultat 1 - 5 av 18 avhandlingar som matchar ovanstående sökkriterier.
1. Quantum chemical studies of radical enzymes
Sammanfattning : .... LÄS MER
2. Quantum Chemical Modeling of Binuclear Zinc Enzymes
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. Quantum Chemical Modeling of Phosphoesterase Mimics and Chemistry in Confined Spaces
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. Quantum Chemical Modelling of Biomimetic Phosphoesterase Complexes
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. Synthesis of chiral allyl and propargyl boronates by organocatalytic carbene insertion to carbon-boron bonds
Sammanfattning : This thesis describes the development of a novel organocatalytic method for the synthesis of chiral allyl- and propargyl- organoboron compounds with high enantioselectivity. These organoboron species are versatile building blocks in asymmetric synthesis.We have developed a new efficient homologation method of alkenyl boronic acids. LÄS MER
