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  • Articles  (76)
  • Wiley-Blackwell  (76)
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  • Articles  (76)
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  • 1
    Electronic Resource
    Electronic Resource
    A molecular mechanical study of netropsin-DNA interactions (1986)
    New York : Wiley-Blackwell
    Biopolymers 25 (1986), S. 249-266 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We present molecular mechanical calculations on the complexes of netropsin with dA6·dT6, d(TATATA)2, d(CGCGCG)2, and d(CGCGAATTCGCG)2. The complexes were model built using computer graphics and then completely energy refined. Our calculations are consistent with the observed AT preference for netropsin and suggest that mixed sugar pucker geometries should be more stable than uniform in netropsin complexes with poly[d(A-T)]·poly[d(A-T)] and poly(dA)·poly(dt). The netropsin·d(TATATA) and netropsin·dA6·dT6 complexes are significantly different in structure, leading to a possible reason why the observed thermodynamics of netropsin-association with poly[d(A-T)]·poly[d(A-T)] and with poly(dA)·poly(dT) are so different. We also model built and energy refined a structure of netropsin-d(CGCGAATTCGCG)2 using as a guide the nmr data of Patel [(1982) Proc. Natl. Acad. Sci. USA, 79, 6424-6428] and found a three-dimensional structure qualitatively consistent with the NOE enhancements observed by him. After our calculations were completed, we learned of an x-ray structure of a netropsin:d(CGCGAATTCGCG)2 complex, and we compared the structure found in our calculation with the x-ray structure.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360250207
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  • 2
    Electronic Resource
    Electronic Resource
    NMR three-dimensional solution structure of the serine protease inhibitor cyclotheonamide A (1997)
    New York : Wiley-Blackwell
    Biopolymers 41 (1997), S. 349-358 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The nmr solution conformation of cyclotheonamide A (CtA) was determined in aqueous media. The data produced 15 distance and 10 torsional constraints which were used to generate conformations using restrained simulated annealing (SA) and distance geometry/simulated annealing (DG/SA) calculations. Two different calculation protocols were performed to ensure proper sampling of conformational space and even though the torsional restraints were input differently, both calculation methods yielded the same conformation of CtA. In the structure calculations, all solutions of the Karplus equation were sampled simultaneously using the restrained SA protocol and large ranges were used for the dihedral restraints in the DG/SA protocol because all solutions to the Karplus equation could not be sampled simultaneously. The solution conformation was also compared to the solid state x-ray conformations of CtA bound to thrombin and trypsin. The conformation of the residues important for active site binding (d-Phe, h-Arg, and Pro) are nearly identical in aqueous solution and solid state with largest differences at the a-Ala and v-Tyr residues. CtA appears to be preordered in structure and does not undergo a significant conformational change upon binding to the enzyme active site. © 1997 John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Advances in radiation chemistry. Vol. 4. Edited by: M. Burton and J. L. Magee. Published by: Wiley-Interscience, John Wiley & Sons, Inc. New York, 1974 (1975)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 9 (1975), S. 755-757 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560090416
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  • 4
    Electronic Resource
    Electronic Resource
    From theoretical physics to biology. Proceedings of the Third International Conference ‘From Theoretical Physics to Biology’, Versailles, June 1971. Edited by: M. Marois, Paris. Published by: S. Karger AG, Basel, 1973. Price: $43.00. (1976)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 10 (1976), S. 551-552 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560100316
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  • 5
    Electronic Resource
    Electronic Resource
    The jerusalem symposia on quantum chemistry and biochemistry. Edited by E. D. Bergmann and B. Pullman. Published by: The Jerusalem Academy of Sciences and Humanities. Jerusalem 1970, 1971, and 1972. (1973)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 1221-1225 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560070617
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  • 6
    Electronic Resource
    Electronic Resource
    Theory of orientation and stereoselection. Author: Kenichi Fukui. Published by: Springer-Verlag, Berlin-Heidelberg-New York, 1975. Price: $18.10. No. of pages: 134 (1977)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 11 (1977), S. 185-185 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560110116
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  • 7
    Electronic Resource
    Electronic Resource
    An automated design scheme: Weight minimization of a single hulled ship compartment (1984)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 20 (1984), S. 1763-1790 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This paper describes the stages of development of an optimum structural design scheme. Any attempt to generate the optimum scantlings of a structure of even moderate complexity usually poses nonlinear programming problems for which there exist no universally accepted solution method. The structure considered here is a complete compartment of a single-hulled ship acted upon by multiple load cases. The elastic responses under four different load types are obtained by a quasi finite element analysis routine developed specifically for this purpose. Sequential linear programming (SLP) with appropriate artifices to achieve rapid convergence has been successfully employed as an optimization routine to minimize the object function, which in this case was the total weight of the major structural members. The test problem has 490 basic degrees-of-freedom, 21 free design variables and more than 100 mixed constraints, the majority of which are nonlinear implicit stress functions. The method is then applied to a number of cases representative of small warship designs. Suggestions for future extensions and general conclusions are included at the end of the paper.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620201002
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  • 8
    Electronic Resource
    Electronic Resource
    Antiplasticization. III. Characteristics and properties of antiplasticizable polymersPaper presented at the 152nd National Meeting of the American Chemical Society, New York, September 1966.Prod. No. 1451 (1967)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 11 (1967), S. 227-244 
    Details
    ISSN: 0021-8995
    Keywords: 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: Antiplasticization is applicable to polymers which contain rigid, polar groups and stiff chains, such as many bisphenol polycarbonates and polyesters, 2,2,4,4-tetramethyl-1,3-cyclobutanediol polycarbonates and polyesters, cellulose triacetate, and a commercial poly(sulfone ether). The stiffness, hardness, and tensile strength of these polymers are increased by antiplasticizers, and the elongation, impact strength, and heat-distortion temperature are decreased. The stiffness of antiplasticized polymers can be further increased by crystallization. A clear, hard, stiff, tough, self-extinguishing molding plastic with good electrical properties and improved resistance to stress cracking is obtained by antiplasticizing bisphenol A polycarbonate with 20% Aroclor 5460.
    Additional Material: 9 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1967.070110206
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  • 9
    Electronic Resource
    Electronic Resource
    Chlorination of polyestersPaper presented at the 154th National Meeting of the American Chemical Society, Chicago, Illinois, September 10-15, 1967. (1968)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 12 (1968), S. 1713-1733 
    Details
    ISSN: 0021-8995
    Keywords: 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: By photochemical chlorination chlorine was substituted on the gem-dimethyl groups of the polyterephthalate and polycarbonate of 2,2,4,4-tetramethyl-1,3-cyclobutanediol, the polyterephthalate of 2,2-dimethyl-1,3-propanediol, and the polycarbonate of 4,4′-isopropylidenediphenol (bisphenol A). The factors affecting polyester degradation, the efficiency of chlorination, and the degree of chlorination were investigated, and the effects of chlorine content on the solubility, flammability, density, hydrolytic stability, thermal stability, tensile properties, electrical properties, and heat-distortion temperatures of cast films were determined. The chlorinated polyesters of particular interest, because of their properties, are the polycarbonates of 2,2,4,4-tetramethyl-1,3-cyclobutanediol and bisphenol A.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1968.070120719
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  • 10
    Electronic Resource
    Electronic Resource
    Sample overloading effects in polymer characterization by field-flow fractionation (1988)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 36 (1988), S. 703-719 
    Details
    ISSN: 0021-8995
    Keywords: 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: There are two subtechniques of field-flow fractionation (FFF), thermal FFF and flow FFF, that have been successfully employed for polymer fractionation and characterization. These techniques are primarily analytical in nature, yielding accurate polymer characteristics from small sample loads (∼ 10 μg or less, depending on detection sensitivity). In this study the effects of increasing sample size are examined. Modest increases in load are found to result in shifts toward higher retention volumes. These modest loads also result in some broadening of the sample peaks without a major loss of peak symmetry. Excessive loading, by contrast, appears to give rise both to skewed peaks and to new artifact peaks at higher levels of retention. These observations are discussed in terms of the concentration dependence of various properties (viscosity, diffusivity, thermal diffusivity) which influence polymer transport through the FFF channel. The results are used to indicate upper limits to suitable sample concentrations.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1988.070360319
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