Search for dissertations about: "enzymatic enantioselectivity"

Showing result 1 - 5 of 16 swedish dissertations containing the words enzymatic enantioselectivity.

  2. 1. Enthalpy and Entropy in Enzyme Catalysis : A Study of Lipase Enantioselectivity

    Author : Jenny Ottosson; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Biocatalysis; enzyme catalysis; Candida antarctica lipase B; enantioselectivity; enthalpy; entropy; CALB; enantiomeric ratio; Bioengineering; Bioteknik;

    Abstract : Biocatalysis has become a popular technique in organic synthesis due to high activity and selectivity of enzyme catalyzed reactions. Enantioselectivity is a particularly attractive enzyme property, which is utilized for the production of enantiopure substances. READ MORE

  4. 2. Quantum Chemical Modeling of Asymmetric Enzymatic Reactions

    Author : Maria E. S. Lind; Fahmi Professor; Rajeev Prabhakar; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; biocatalysis; enantioselectivity; density functional theory; B3LYP; enzyme; hydrolysis; decarboxylation; Organic Chemistry; organisk kemi;

    Abstract : Computational methods are very useful tools in the study of enzymatic reactions, as they can provide a detailed understanding of reaction mechanisms and the sources of various selectivities. In this thesis, density functional theory has been employed to examine four different enzymes of potential importance for biocatalytic applications. READ MORE

  5. 3. Extending the Reach of Computational Approaches to Model Enzyme Catalysis

    Author : Beat Anton Amrein; Shina Caroline Lynn Kamerlin; Adrian Mulholland; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; epoxide hydrolase; enantioselectivity; regioselectivity; enantioconvergence; biocatalysis; empirical valence bond; computational directed evolution;

    Abstract : Recent years have seen tremendous developments in methods for computational modeling of (bio-) molecular systems. Ever larger reactive systems are being studied with high accuracy approaches, and high-level QM/MM calculations are being routinely performed. READ MORE

  6. 4. Quantum Chemical Modeling of Asymmetric Enzymatic Reactions : Applications to Limonene Epoxide Hydrolase and Arylmalonate Decarboxylase

    Author : Maria E.S. Lind; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In this thesis, density functional theory has been employed to study the reactionmechanisms of two enzymes with possible applications in asymmetric biocatalysis.To reproduce and rationalize the stereoselectivity of the enzymes, quite large cluster models that account for the chiral environment of the active site have been used. READ MORE

  7. 5. Quantum Chemical Modelling of Enzymatic and Organometallic Reactions

    Author : Ferran Planas; Fahmi Himo; Edina Rosta; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; enzyme; organometallic; mechanisms; organisk kemi; Organic Chemistry;

    Abstract : 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. READ MORE