Sökning: "kemiska interaktioner"

Visar resultat 1 - 5 av 37 avhandlingar innehållade orden kemiska interaktioner.

  1. 1. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

    Författare :Joakim Halldin Stenlid; Tore Brinck; Thomas Bligaard; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; computational chemistry; density functional theory; chemical interactions; reactivity descriptors; copper corrosion; surface and materials science; nucleophilic substitution reactions; heterogeneous catalysis; transition metal oxides; nanotechnology; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; reaktivitetsdeskriptorer; kopparkorrosion; yt- och materialvetenskap; nukleofila substitutionsreaktioner; heterogen katalys; överångsmetalloxider; nanoteknologi; Kemi; Chemistry;

    Sammanfattning : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. LÄS MER

  2. 2. Secondary Interactions in Symmetric Double Bond Formation Catalysed by Molecular Ruthenium Complexes

    Författare :Oleksandr Kravchenko; Licheng Sun; Roger Alberto; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; homogeneous catalysis; transition metal catalysis; ruthenium catalyst; olefin metathesis; dynamic covalent chemistry; water oxidation; solar fuels; Ru-bda; secondary interactions; hydrophobic interactions; π-π stacking; homogen katalys; övergångsmetallkatalys; rutheniumkatalysator; olefinmetates; dynamisk kovalent kemi; vattenoxidation; solbränslen; Ru-bda; sekundära interaktioner; hydrofoba interaktioner; π-π stapling; Kemi; Chemistry;

    Sammanfattning : Chemistry has a tremendous impact on everyone’s life, although society does not always realize its power and ubiquity. In recent years, improved economy and sustainability of chemical processes has become a worldwide priority. LÄS MER

  3. 3. Antiadhesive agents targeting uropathogenic Escherichia coli : Multivariate studies of protein-protein and protein-carbohydrate interactions

    Författare :Andreas Larsson; Jan Kihlberg; Fredrik Almqvist; Mats Larhed; Umeå universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Organic chemistry; Antibacterial; pili; antiadhesive agents; structure based design; statistical molecular design; 2-pyridone; amino acid derivative; galabiose; enaminone; SPR; ELISA; QSAR; Organisk kemi; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

    Sammanfattning : This thesis describes studies directed towards development of novel antiadhesive agents, with particular emphasis on compounds that prevent attachment of bacteria to a host-cell. Three different proteins involved in the assembly or function of adhesive pili in uropathogenic Escherichia coli have been targeted either by rational structure based design or statistical molecular methods. LÄS MER

  4. 4. Exploring non-covalent interactions between drug-like molecules and the protein acetylcholinesterase

    Författare :Lotta Berg; Anna Linusson; Fredrik Ekström; Joel L. Sussman; Umeå universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; acetylcholinesterase; drug discovery; density functional theory; hydrogen bond; nerve-agent antidote; non-covalent interaction; protein-ligand complex; structure-based design; thermodynamics; X-ray crystallography; datorlingvistik; computational linguistics;

    Sammanfattning : The majority of drugs are small organic molecules, so-called ligands, that influence biochemical processes by interacting with proteins. The understanding of how and why they interact and form complexes is therefore a key component for elucidating the mechanism of action of drugs. LÄS MER

  5. 5. Novel monogalactoside galectin inhibitor scaffolds : Guiding selectivity with heteroaromatic interactions

    Författare :Alexander Dahlqvist; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Galectin; Galectin inhibitor; Heterocycles; C-glycoside; Medicinal chemistry; Organic chemistry; Hydroboration; Diastereoselective; Galactose;

    Sammanfattning : Carbohydrates are involved in many cellular processes, and most biomolecules are glycosylated. Thesemodifications are used in biological systems as information carriers, helping regulate organization on the cell surfaceand interactions between cells and the environment. LÄS MER