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  • 1
    ISSN: 1520-5002
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie , Maschinenbau
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 2
    ISSN: 1520-5835
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie , Physik
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    s.l. : American Chemical Society
    Journal of the American Chemical Society 98 (1976), S. 8083-8087 
    ISSN: 1520-5126
    Quelle: ACS Legacy Archives
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 4
    Digitale Medien
    Digitale Medien
    Springer
    Journal of materials science 21 (1986), S. 2239-2253 
    ISSN: 1573-4803
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau
    Notizen: Abstract The deformation morphology of high density polyethylene was investigated by electron microscopy of oriented thin films. A melt-drawing process was used to produce chain axis oriented and planar textured thin film, which was subsequently deformedin situ at room temperature in a scanning transmission electron microscope. Both as-drawn and annealed films were studied. Deformation along the orientation direction is initially accomodated by the interlamellar regions, which cavitate and form microfibres. For annealed films it is possible to directly observe strain-induced crystallization at about 300% strain in the fibrils. With increased deformation, suitably oriented lamellar crystals deform by two clearly visualized chain slip systems: {1 0 0}, 〈0 0 1〉 and {0 1 0}, 〈0 0 1〉. Thesec axis shear processes could be further distinguished as fine slip or as block shear. Still higher deformation causes more breakup of blocks by shear; when the block size is less than some critical size, the blocks decrystallize. The deformation leads toward a fibrillar morphology consisting of oriented crystals from crystallized amorphous material at high elongations, crystal blocks broken out of lamellae, and chains drawn out of lamellae and recrystallized. The deformation behaviour of the as-drawn films is somewhat different from that of the annealed films. Initially as for the annealed films the lamellae are separated with increasing strain as the interlamellar regions are deformed but there is less voiding. Higher deformation causes the lamellae in the as-drawn films to shear apart at significantly lower strain levels (50% as opposed to 300%) than in the annealed films. At about 100% deformation, the as-drawn film no longer has a recognizable lamellar structure. Although generalization is tempered by the simplicity of this model texture, these deformation results are highly relevant to the current microstructural understanding of lamellar deformation in different regions of a spherulite, to the morphology of commercial extruded and blown films, and to specially prepared textured polymers, such as rolled and annealed films or capillary melt flow and solidification methods which can produce texture approaching that of a single crystal.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 5
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We report the application of an integrated computational approach for biomolecular structure determination at a low resolution. In particular, a neural network is trained to predict the spatial proximity of C-alpha atoms that are less than a given threshold apart, whereas a Kalman filter algorithm is employed to outline the biomolecular fold, with a constraints set that includes these pairwise atomic distances, and the distances and angles that define the structure as it is known from the protein's sequence. The results for Crambin demonstrate that this integrated approach is useful for molecular structure prediction at a low resolution and may also complement existing experimental distance data for a protein structure determination. © 1996 John Wiley & Sons, Inc.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 6
    ISSN: 0006-3525
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A study of the influence of the spiropyran to merocyanine ring opening on a model of poly(spiropyran-L-glutamate) as implied by the experimental data (T. M. Cooper, K. A. Obermeier, L. V. Natarajan, and R. L. Crane (1992) Photochemistry and Photobiology, 55, 1-7) is presented. The individual chromophore is studied by the AM1 semiempirical approach, while molecular mechanics and dynamics calculations are employed in the analysis of the poly(spiropyran-L-glutamate) model. It is shown that the α-helical secondary structure is less conserved in the polypeptide substituted with the merocyanine form of the chromophore. In particular, larger side-chain flexibility, increased backbone hydrogen-bond lengths, as well as a larger helix bending are calculated. Furthermore, a random conformational minimization calculation finds the intrinsic behavior of the spiropyran molecular system as being more of a helix “maker” than its merocyanine analogue. The interactions of the chromophore substituent with other side chains prove, in part, that an early event in the decay of the α-helical structure is the formation of hydrogen bonds between the carboxylic acid groups and the merocyanine oxygens. The results lend support to the experimental observation that the merocyanine group destabilizes the α-helical framework of the polypeptide, thus possibly allowing the entry of solvent molecules into the α-helical core, while spiropyran in its closed form shields it from the solvent. © 1992 John Wiley & Sons, Inc.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 7
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 24 (1986), S. 1991-2016 
    ISSN: 0887-6266
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: The structure and morphology of homopolymers and blends of rigid-rod poly(p-phenylene benzobisthiazole) (PBT) and semiflexible coil poly[2,5(6)benzimidazole] (ABPBI) were examined by wide-angle x-ray diffraction and scanning and transmission electron microscopy. When samples were processed from a solution where the total polymer concentration of 30% PBT/70% ABPBI blend was greater than a critical concentration, large-scale phase separation occurred and 0.1-4 μm ellipsoidal particles were present in a ductile matrix. The ellipsoids were chiefly composed of aggregates of well-oriented 10-nm PBT crystallites, while the matrix material was chiefly ABPBI. When the concentration was less than a critical concentration, the solution was optically homogeneous. In processing of fiber and film samples from the homogeneous solution, large-scale phase separation was inhibited by rapid coagulation in a water bath. After heat treatment, these samples were found to contain crystallites of both PBT and ABPBI with lateral dimensions of ordered regions no larger than 3 nm. The PBT homopolymer was dispersed in the matrix at the molecular level in ordered regions at a scale no larger than 3 nm, resulting in a rigid-rod molecular composite. In the rigid-rod molecular composite fiber both the molecular-level dispersion and high orientation contributed to higher values of strength and modulus compared to the properties of a phase-separated fiber. The strength and modulus of highly oriented fiber were only 25% higher than those of planar isotropically oriented film, suggesting that the level of dispersion of rod molecules is more important than orientation of the reinforcing phase in rigid-rod molecular composites.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 8
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Macromolecular Chemistry and Physics 198 (1997), S. 1561-1578 
    ISSN: 1022-1352
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: A systematic study has been made on the influence of doped rare-earth metal ions (Er3+ and Nd3+) on the molecular interaction present in thin films fabricated from chitosan-acetic acid solutions (chitosan/HAc). FT-IR spectroscopy (including NIR, MIR and FIR) coupled with X-ray photoelectron spectroscopy (XPS) indicate a weak complexation between the metal ions and amine groups of chitosan. Specifically, the FIR spectra show broad bands near 550, 480 and 250 cm-1 for the doped films suggestive of metal ion-ligand vibrations. XPS indicates multiple chemical states of N with an increased percentage of a higher binding energy state nitrogen caused by a weak interaction with the doped metal ions. Slight differences in microroughness between the doped and undoped films as observed by X-ray reflectometry may also be related to the doping. The NIR and MIR spectra do not show any significant changes for all the doped and undoped films, implying that the basic molecular conformation of chitosan is not changed by the weak complexation.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 9
    Digitale Medien
    Digitale Medien
    Basel : Wiley-Blackwell
    Die Makromolekulare Chemie, Theory and Simulations 2 (1993), S. 337-348 
    ISSN: 1018-5054
    Schlagwort(e): Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: A liquid crystalline system consisting of cyclic penta(methylsiloxane) cores with biphenylyl 4-propoxybenzoate mesogens is studied with respect to its molecular conformation and the intermolecular ordering of pendant groups by employing molecular mechaincs calculations, while a molecular dynamics simulation indicates the degree of conformational flexibility. The calculated X-ray scattering patterns for these structures provide insight into the origin of the experimentally observed results. A good agreement is found between the calculated and experimental reflections data, supporting the ‘cylinder’ global topology as the basis for forming a ‘columnar’ structure. Further, a comparison of the calculated and experimental meriodional sections shows a strong similarity of both the meridional intensities and d-spacings.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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  • 10
    ISSN: 1042-7147
    Schlagwort(e): Silk ; Mechanical ; Spider ; Silkworm ; Thermal ; Chemistry ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau
    Notizen: Dragline silk from the spider, Nephila clavipes, was characterized by thermal analysis (TGA, DSC, DMA), computational modeling, scanning electron microscopy and by quasi-static as well as high rates of strain. Thermal stability to about 230°C was observed by TGA, two transitions by DMA, -75°C, representative of localized motion in the amorphous domain, and a main chain motion associated with partial melt at 210°C. Tensile tests indicated average initial modulus, ultimate tensile strength and ultimate tensile strain of 22 GPa, 1.1 GPa and 9%, respectively. The corresponding properties of the best fibers tested were 60 GPa, 2.9 GPa and 11%, respectively. High strain rates (〉50,000%/sec) indicated similar mechanical properties to the average values indicated above. Microscopy showed compressive and tensile strains to failure of 34%. Computational modeling yielded a crystal modulus of 200 GPa.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    Standort Signatur Erwartet Verfügbarkeit
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