Search for dissertations about: "transition-states"
Showing result 1 - 5 of 25 swedish dissertations containing the word transition-states.
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1. Hydrolytic and oxidative catalytic activities of bio-inspired dinuclear metal complexes
Abstract : A number of homo- and heterodinuclear complexes have been synthesized as structural and functional models for the the active sites of phosphoesterases and soluble methane monooxygenases. The complexes are based on four new dinucleating ligands containing a central, potentially bridging, phenolate moiety. READ MORE
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2. On the Ring-Opening Reaction of Thiophene-1,1-dioxides and the Intramolecular Diels-Alder Reaction of Azanona- and AzadecatrienesI
Abstract : Substituted thiophene-1,1-dioxides were synthesized and their ring-opening reactions with omega-unsaturated secondary amines were investigated; this led to a synthetic route to azatrienes and to the preparation of some polyhydroisoindoles and polyhydroisoquinolines via an intramolecular Diels-Alder reaction. By using 2-substituted pyrrolidines and piperidines various tetrahydrobenzo[f]indolizidines, benzo[b]quinolizidines, tetrahydrobenzo[a]indolizidines and tetrahydro[a]pyrrolizidines could be synthesized via the ring-opening of 3-bromo-2,5-dimmethylthiophene-1,1-dioxide and a subsequent intramolecular Diels-Alder reaction. READ MORE
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3. Quantum Chemical Modeling of Binuclear Zinc Enzymes
Abstract : 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). READ MORE
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4. Post-synaptic Density Disc Large Zo-1 (PDZ) Domains : From Folding and Binding to Drug Targeting
Abstract : Understanding how proteins fold and bind is interesting since these processes are central to most biological activity. Protein folding and protein-protein interaction are by themselves very complex but using a good and robust system to study them could ease some of the hurdles. READ MORE
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5. Quantum Chemical Studies of Enantioselective Organocatalytic Reactions
Abstract : Density Functional Theory is used in order to shed light on the reaction mechanisms and the origins of stereoselectivity in enantioselective organocatalytic reactions. The reactions investigated are the dipeptide-catalyzed aldol reaction, the cinchona thiourea-catalyzed nitroaldol reaction and the prolinol derivative-catalyzed hydrophosphination reaction. READ MORE