Sökning: "Robert Pendrill"

Hittade 2 avhandlingar innehållade orden Robert Pendrill.

  1. 1. Conformational studies of carbohydrates: MD simulation and NMR spectroscopy

    Författare :Robert Pendrill; Lena Mäler; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : This thesis describes various aspects of conformational studies of carbohydrates, from development of the methods by which experimental parameters are gathered to the application of NMR spectroscopy and MD simulation for the analysis of a disaccharide. Paper I describes the use of site-specific 13C labeling as a tool to resolve spectral overlap of 1H frequencies in a trisaccharide, allowing the measurement of important crossrelaxation rates and long-range couplings which were previously obscured. LÄS MER

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

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

    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