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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer-aided materials design 3 (1996), S. 341-350 
    ISSN: 1573-4900
    Keywords: Poly(lactide) ; Alternating propylene-CO-copolymer ; Stereocomplex ; Powder diffraction ; Force-field simulation ; Poly(ethyleneglycol) ; AB block copolymers ; Atomic force microscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary Both (−)- and (+)-poly(lactide) (PLA) crystallize into a stereocomplex with a melting point that is 50 °C higher than that of crystals of the same-handed enantiomers. According to Boyer et al. [Polym. Prepr., 36 (1995) 87] and Jiang et al. [J. Am. Chem. Soc., 117 (1995) 7037], alternating isotactic propylene-CO-copolymers (P(P-alt-CO)) also form a stereocomplex with a higher melting point (60 °C). Force-Field-simulated structures for both polymer systems were found to agree well with X-ray data, irrespective of whether they had a chiral or racemic packing. The almost similar results for both stereocomplexes indicate that they might form a mixed stereocomplex of (−)-PLA and (+)-P(P-alt-CO). In acetonitrile, both enantiomers of an AB block copolymer derivative, poly(lactide)-poly(ethyleneglycol) (PLA-PEG); were found to crystallize exclusively into a racemic lattice. The influence of racemic packing on self-assembly of the two-block copolymer was analyzed by atomic-force microscopy. An equimolar mixture of (−)- and (+)-PLA-PEG formed spherical particles through stereocomplexation, in contrast to chiral block copolymers that formed large crystal needles and long rods.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Macromolecular Theory and Simulations 6 (1997), S. 371-380 
    ISSN: 1022-1344
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The effect of structural variations at the core of carbosilane dendrimers has been studied using Molecular Dynamics. Several derivatives of the parent dendrimer have been modeled and characterized with respect to the dimensions of the inner cavities which lie on the order of 5-15 Å. The “denseness” of the outer shell has been studied by calculating solvent accessible surfaces and excluded volumes as a function of the radius of the probe sphere. The higher generation dendrimers were found to possess dense outer shells with holes of the order of 2-3 Å. Dendron separation especially with respect to clefts in the molecule is discussed. It was found that in low generation carbosilane dendrimers the dendrons are clearly separated while at higher generations a substantial amount of interpenetration occurs. In addition, results are presented showing that carbosilane dendrimer surfaces are fractal only over a narrow range of length scales. In this range, the fractal dimensions of the surfaces are of the order of 2.1.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Publication Date: 1996-01-01
    Print ISSN: 0024-9297
    Electronic ISSN: 1520-5835
    Topics: Chemistry and Pharmacology , Physics
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