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  • 1
    ISSN: 0948-5023
    Keywords: Keywords: Oligosaccharides Dihedral angles ; Molecular Dynamics ; Agarose ; Abbreviations: MM: molecular mechanics; MD: molecular dynamics; AG: linkage between anhydrogalactose and galactose sugar rings; GA: linkage between galactose and anhydrogalactose rings.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A study on the molecular dynamics of agarose-type oligosaccharide chains in water is presented. In the field of molecular modelling one is able to use either explicit water molecules or a representative bulk dielectric constant: the two methods are compared here. The starting conformation was taken from X-ray fibre diffraction data for agarose double helices, which are neutral molecules. The resulting trajectories were analysed for the behaviour of dihedral linkages, and these were compared to systematic searches performed on isolated agarobiose and neo-agarobiose units. The results showed that when explicit water molecules are used the oligosaccharide chains are “stiffer” and have a reduced mobility.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 0959-8103
    Keywords: epoxy resins ; imidazoles ; copper (II) complexes ; curing agents ; dynamic viscometry ; gel permeation chromatography ; high performance liquid chromatography ; 1H nuclear magnetic resonance spectroscopy ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Two commercial epoxy resins, MY750 and MY720, were cured over a range of cure temperatures with a series of novel curing agents based on modified imidazoles. A combination of techniques, including dynamic viscometry, proton nuclear magnetic resonance spectroscopy, differential scanning calorimetry, high performance and gel permeation chromatography, were used to analyse the reaction mixture. It appears that for a given formulation and given resin, the viscosity behaviour near gelation is different for different cure temperatures and the mechanism appears to be dependent not only on the nature of the imidazole curing agent, but also on the cure temperature. Higher temperature cure appears to lead to the formation of a less ‘homogeneous’ reaction mixture at the gel point, containing oligomeric chain lengths of higher polydispersity, whereas in the lower temperature cure, oligomers of a smaller range of chain lengths are present.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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