Sökning: "proton NMR spectroscopy"

Visar resultat 1 - 5 av 26 avhandlingar innehållade orden proton NMR spectroscopy.

  1. 1. Molecular Interactions Studied by Electrophoretic and Diffusion NMR

    Författare :Fredrik Hallberg; Peter Stilbs; István Furó; Gareth Morris; KTH; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; NMR; electrophoretic NMR; Ion pairing; complexation; association; diffusion; pulsed field gradient; Nafion; Spectroscopy; Spektroskopi;

    Sammanfattning : Even though electrophoretic NMR (eNMR) experiments may provide unique chemical information and have been performed for three decades, the technique is still rarely applied, mainly because several experimental sources of artifacts have to be controlled to achieve accurate results. In this thesis, new experimental setups and protocols for accurate and precise eNMR experiments are presented. LÄS MER

  2. 2. Studies of protein structure, dynamics and protein-ligand interactions using NMR spectroscopy

    Författare :Tobias Tengel; Göran Larsson; Maria Sunnerhagen; Umeå universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; 19F NMR; 2S albumin; PapD; protein-ligand interaction; structure; TFE; Yersinia; YopD; allergy; amphipathic helix; Ber e 1; Brazil nut; dynamics; FimC; LcrH; NMR screening; Biophysics; Biofysik;

    Sammanfattning : In the first part of the thesis, protein-ligand interactions were investigated using the chaperone LcrH, from Yersinia as target protein. The structure of a peptide encompassing the amphipathic domain (residue 278-300) of the protein YopD from Yersinia was determined by NMR in 40% TFE. LÄS MER

  3. 3. Water Relaxation Processes as Seen by NMR Spectroscopy Using MD and BD Simulations

    Författare :Ken Åman; Per-Olof Westlund; Arnold Maliniak; Umeå universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; NMR; Stochastic Liouville Equation; Brownian Dynamics; Molecular Dynamics; Water; Relaxation; Deuterium; ESR; Fysikalisk kemi; Physical chemistry; Fysikalisk kemi; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : This thesis describes water proton and deuterium relaxation processes, as seen by Nuclear Magnetic Resonance (NMR) spectroscopy, using Brownian Dynamics (BD) or Molecular Dynamics (MD) simulations. The MD simulations reveal new detailed information about the dynamics and order of water molecules outside of a lipid bilayer. LÄS MER

  4. 4. Structural Studies of O-antigen polysaccharides, Synthesis of 13C-labelled Oligosaccharides and Conformational Analysis thereof, using NMR Spectroscopy

    Författare :Ulrika Olsson; Göran Widmalm; Corine Sandström; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NMR spectroscopy; conformation; Escherichia coli; lipopolysaccharide; O-antigen; carbohydrates; structure; isotopic labelling; Organic chemistry; Organisk kemi; Organic Chemistry; organisk kemi;

    Sammanfattning : In order to understand biological processes, to treat and diagnose diseases, find appropriate vaccines and to prevent the outbreak of epidemics, it is essential to obtain more knowledge about carbohydrate structures. This thesis deals with structure and conformation of carbohydrates, analysed by NMR spectroscopy and MD simulations. LÄS MER

  5. 5. Chloromethane Complexation by Cryptophanes : Host-Guest Chemistry Investigated by NMR and Quantum Chemical Calculations

    Författare :Zoltan Takacs; Jozef Kowalewski; Mikael Akke; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Host–guest complexes; inclusion phenomenon; cryptophanes; NMR; kinetics; activation energy; dipolar interaction; exchange; quantum chemical optimization; calculated chemical shifts; NOESY; cavity size; Physical Chemistry; fysikalisk kemi;

    Sammanfattning : Host–guest complexes are widely investigated because of their importance in many industrial applications. The investigation of their physico–chemical properties helps understanding the inclusion phenomenon. The hosts investigated in this work are cryptophane molecules possessing a hydrophobic cavity. LÄS MER