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  • Polymer and Materials Science  (2)
  • Conformational search  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives (1995)
    Springer
    Journal of computer aided molecular design 9 (1995), S. 425-438 
    Details
    ISSN: 1573-4951
    Keywords: Cytostatic compounds ; Tubulin ; Mitosis inhibitors ; Quenching ; Ab initio optimization ; Unusual amino acids ; Conformational search
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The three-dimensional structure of dolastatin-10, an extremely potent cytostatic and antineoplastic peptide extracted from the mollusc Dolabella auricularia, has not yet been fully characterized in an experimental way. By means of a systematic conformational search of the natural peptide and of two mutated analogs, carried out both in vacuo and in aqueous solution, the present work allows to obtain insights into the conformational preferences of this remarkable compound. In addition, the ability to form intra- and intermolecular H-bonds as a function both of the sequence and of the conformation is discussed. The search for the best molecular conformations has been carried out using a molecular mechanics approach, based on the CVFF potential. Dolastatin-10 contains some unusual amino acids for which no experimental structural data are available. In order to check the reliability of the CVFF potential in predicting structures of such nonconventional amino acids, geometry optimizations have been carried out using the ab initio Hartree-Fock procedure. The CVFF parameterization is found to be adequate also for nonconventional amino acids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00124000
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  • 2
    Electronic Resource
    Electronic Resource
    Poly(2,6-Dimethyl-1,4-Phenylene oxide)/crosslinked polystyrene semi-interpenetrating networks: Synthesis and properties (1992)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 193 (1992), S. 3129-3137 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Semi-interpenetrating networks (semi-IPN's) based on linear poly(phenylene ether)s and crosslinked polystyrene can be prepared by reactive moulding of crosslinkable polymeric mixtures. These materials show thermomechanical properties which strongly depend on both the ratio of the two polymeric matrices and the degree of crosslinking in the polystyrene network. Samples based on a 50/50 weight ratio of poly(2,6-dimethyl-1,4-phenylene oxide)/crosslinked polystyrene show glass transition temperatures (Tg) which are very dependent on the degree of crosslinking. It is therefore possible to obtain materials with desired Tg, ranging from the Tg of the corresponding linear blend to that of poly(2,6-dimethyl-1,4-phenylene oxide) alone.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1992.021931218
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  • 3
    Electronic Resource
    Electronic Resource
    Rubber modification of poly(2,6-dimethyl-1,4-phenylene oxide)/crosslinked polystyrene semi-interpenetrating polymer networks: morphology and impact behaviour (1993)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 194 (1993), S. 3301-3309 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Rubber modification of poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)/crosslinked polystyrene (CPS) semi-interpenetrating polymer networks (semi-IPNs) was studied using polybutadiene (PB), a linear styrene-butadiene-styrene (SBS) triblock cocpolymer and a star-shaped SBS multi-block copolymer, at different composition ratios. The materials, obtained by reactive compression moulding of mixtures containing PPO, an elastomer, styrenic monomers and crosslinker (divinylbenzene), show a very high glass transition temperature (Tg), high dimensional stability and good impact properties.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1993.021941208
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