Sökning: "conformations"

Visar resultat 1 - 5 av 186 avhandlingar innehållade ordet conformations.

  1. 1. Computational analysis of oligosaccharide conformations – methodological development, applied studies, and design of glycomimetics

    Författare :Francesco Strino; Göteborgs universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; histo-blood group antigens; Burkholderia cepacia; genetic algorithms; norovirus; selenoglycosides; sugar conformations; thioglycosides; saccharide conformations;

    Sammanfattning : Carbohydrates are the most abundant class of biomolecules. Besides their roles as structural elements and energy storage, they are involved in signaling and recognition processes. Their functions and activities depend on their preferred conformations. LÄS MER

  3. 2. Conformations of Flexible Oligosaccharides : Molecular Simulations and NMR spectroscopy

    Författare :Robert Pendrill; Göran Widmalm; Jens Duus; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; Oligosaccharide; Conformation; NMR spectroscopy; MD simulations; organisk kemi; Organic Chemistry;

    Sammanfattning : The conformational preferences of several oligosaccharides are investigated herein using a combination of NMR spectroscopy and molecular dynamics (MD) simulations, focusing on the torsion angles associated with the glycosidic linkages.Strategies for obtaining usable J-HMBC spectra for carbons with an adjacent 13C label are described. LÄS MER

  4. 3. A study of the stereochemistry and electronic transitions of cyclic and acyclic thioamides by crystallography, spectroscopy and computational methods

    Författare :Knut Rang; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; UV and CD spectroscopy; rotational barriers; DNMR; X-ray; N -bis[ S -1-phenylethyl]-thiourea; N; attractive steric effect; chiral; phenyl or H- rhodanines; 3- alkyl or aralkyl -5- methyl; Conformations; electronic transitions; molecular mechanics; enantiom; Organic chemistry; Organisk kemi;

    Sammanfattning : Analysis of conformations and electron transitions of 3-(alkyl or aralkyl)-5-(methyl or phenyl)rhodanines with analogues and N,N'-bis[(S)-1-phenylethyl]-thiourea have been performed by X-ray crystallography, 1H NMR, molecular mechanics, ultraviolet spectroscopy and for the chiral rhodanines, enantiomer chromatography and circular dichroism spectroscopy. The magnitude of rotational barriers has been determined. LÄS MER

  5. 4. Conformational and Dynamical Aspects of Conjugated Polymers and Oligomers of Interest for Photoluminescence

    Författare :Mette Grage; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; femtosecond spectroscopy; conformations; anisotropy; excitation transfer; oligothiophene radical cations; MEH-PPV; Conjugated polymers; polythiophene; resonance Raman spectroscopy.; Chemistry; Kemi; Physics; Fysik;

    Sammanfattning : Transient absorption laser spectroscopy and resonance Raman spectrscopy have been used to study conjugated polymers and oligomers. To extract more information the measurements have been compared to computer simulations and calculations. LÄS MER

  7. 5. Conformations and vibrations in polymer electrolytes

    Författare :Patrik Johansson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : Solvent-free solid electrolytes can be formed by dissolving a salt in a polymer matrix (e.g. poly (ethylene oxide), PEO). Such compounds are of interest due to their proposed use as solid electrolytes in new types of electrochemical devices e. LÄS MER