Sökning: "keto-enol tautomerization"
Hittade 3 avhandlingar innehållade orden keto-enol tautomerization.
1. Transition metal and alloy catalysts in the light of computational materials modelling
Sammanfattning : This thesis is built around two pillars. One is heterogeneous catalysis in the broader context of green chemistry. The focus here is on identifying catalytically active materials suitable for the valorization of renewable feedstocks. LÄS MER
2. A theoretical study of 5-Aminolevulinic acid and its esters : properties and lipid permeability
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
3. Quantum Chemical Modelling of Enzymatic and Organometallic Reactions
Sammanfattning : In this thesis, density functional theory (DFT) is employed in the study of two enzymes and two organometallic systems.First, the natural reaction mechanism, as well as the enantioselective formation of α-hydroxyketones catalysed by two thiamine diphosphate (ThDP)- dependent enzymes, namely benzoylformate decarboxylase (BFDC) and 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic-acid (SEPHCHC)- synthase (MenD), are investigated. LÄS MER