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  • 1
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of copolymers of L-lysine and L-valine [poly(L-lysinef L-valine100-f)] containing 0-13% L-valine have been studied, in 0.10M KF solution, using potentiometric titration and circular dichroism spectroscopy. Incorporation of increasing amounts of valine into the copolymers favors β-sheet formation over α-helix formation at high pH and room temperature. The titrations were analyzed using the method of Zimm and Rice and the partial free energy (ΔG0cβ) for the coil-to-β-sheet transition for valine is estimated at 900 cal/mole at 25°C. From the temperature dependence of the free energy, the partial enthalpy, ΔH0cβ, and entropy, ΔS0cβ, of the transition for valine is estimated to be 854 cal/mole and 6.0 e.u., respectively. The corresponding partial thermodynamic parameters for L-lysine are in agreement with published results. The fraction of β-sheet versus pH has been calculated for poly(L-lysine86.8 L-valine13.2) at 25.0°C using the titration data; data obtained from circular dichroism spectroscopy for the same copolymer are in good accord. It is concluded from these results that L-valine is a very strong β-sheet forming amino acid. Furthermore, these results indicate that the Zimm-Rice method is applicable to transitions between the coil and β-sheet states for a polypeptide containing two different residues.
    Additional Material: 7 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 34 (1994), S. 783-797 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The secondary structure of xanthan in solutions of relatively low salt concentration and at room temperature has been investigated using static light scattering experiments. Additional evidence has been found for a dimeric structure at 25°C in 0.01M NaCl. From the experimental z-average mean square (ms) radius of gyration, a value for the persistence length p has been estimated, taking explicitly into account the polydispersity of the three samples used, which has been established by gel permeation chromatography (GPC) measurements. The experimental particle scattering functions of the three samples are consistent with theoretical estimates for polydisperse systems with the same value of p = 65 ± 10 nm and the molar mass per unit length for a dimeric structure.This secondary structure remains unaffected by the ionic strength in the 0.005-0.0lM range. Partial aggregation seems to occur at higher NaCl concentrations.Light scattering and GPC data show that heating the xanthan 0.01M NaCl solutions to about 70°C considerably reduces the Mw of the low molar mass sample (2.3 × 105-g·mol-1), contrary to what is observed for the high molar mass sample (1.8 × 106-g·mol-1). These experimental findings can be accounted for by a partial temperature-induced dissociation of the xanthan dimers according to an all-or-none mechanism. © 1994 John Wiley & Sons, Inc.
    Additional Material: 14 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 12 (1973), S. 655-674 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ultraviolet absorption, linear dichroism, circular dichroism, and oriented circular dichroism of collagen are reported and the spectra are resolved into a self-consistent set of bands in accord with exciton theory. The parallel band at 200 nm has 40% of the π → π* intensity; the perpendicular band is placed at 189 nm yielding a splitting of 2700 cm-1. The circular dichroism is resolved into two Gaussians at λ∥ and λτ (rotational strengths +14 × 10-40 and -32 × 10-40 esu2. cm2) plus a large non-Gaussian (“helix”) band with ampplitude -25,000° at 201 nm. These data appear to be in reasonably good accord with recent calculations.Measurements of the absorption, linear dichroism and circular dichroism of polyproline I and II are also reported and are resolved into their component bands. Polyproline I is in good accord with exciton theory, whereas polyproline II remains unsatisfactory.
    Additional Material: 11 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 18 (1979), S. 2267-2277 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pinacyanol in the presence of an excess of poly(L-glutamic acid) [polymer/dye ratio (P/D) 〉 10] exhibits different absorption spectra in the visible region when bound to the slightly charged polypeptide in the α-helical conformation or to the nearly completely dissociated polypeptide in the coillike conformation. These spectra reveal aggregation of the dye bound to the macromolecular chain in both conformations, although in the coillike one different kinds of aggregates may be present. Dye binding is accompanied by the appearance of CD bands in the visible region which are also different for the α-helical and the coillike conformations. The aggregates formed in the presence of the latter change slowly in time and seem to induce some conformational changes in the polypeptide chain. Furthermore, they have been found to be, at least partially, stable with respect to a subsequent reversal to the α-helical conformation. All results could be qualitatively interpreted assuming that in the coillike conformation, ordered regions exist along the chain as proposed by Krimm and Tiffany.
    Additional Material: 5 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 19 (1983), S. 1414-1420 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The design of nuclear facilities requires dynamic analysis to evaluate their performance during an earthquake. In modal analysis, a method recommended for dynamic analysis by the Nuclear Regulatory Commission, the natural frequencies and mode shapes of the structure are commonly calculated using a stiffness matrix computed using the finite element method.A primary goal of this study was to design a finite element mesh, capable of modelling a reactor structure, with a minimum number of nodes and elements. This is necessary since analysis using a mesh fine enough to include all of the structural elements is not feasible because of exorbitant computer time and storage requirements. It was found that for lateral motion, a representative reactor structure could be accurately modelled using a simplified mesh with only one isoparametric quadratic quadrilateral element per floor. In this mesh essentially infinite springs must be placed between the masses at each floor level to prevent internal movements of the lumped masses within the quadratic quadrilateral elements.It was also found that a structure with rigid heavy bottom floors and a light top floor can be subjected to large displacements in the top floor during earthquakes. It was concluded that the properties of that light top floor (especially shear area) controls the value of the fundamental frequency of the building.
    Additional Material: 3 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 19 (1983), S. 113-124 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element technique, for efficient solution of a class of 3-D elasticity problems, is presented. In this method, standard 2-D finite elements are used along with a ‘connector’ element. An element, previously used to model material interfaces, is shown to provide the properties for use as a ‘connector’ element, if input variables are redefined. The accuracy of the technique is illustrated with a sample solution.
    Additional Material: 11 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 23 (1986), S. 495-507 
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A connector element for linking planes of two-dimensional elements to enable approximate multiplane solutions to a class of three-dimensional problems is developed. This connector element embodies the same displacement fields as assumed by the connected two-dimensional isoparametric elements. A reduction from the general multiplane formulation to a dual plane model is shown to be appropriate for analysing bodies with uniformly spaced inclusions. Sample solutions are given, including cases with different continuity conditions in each plane.
    Additional Material: 13 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 301-302 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 247-255 
    ISSN: 0886-9383
    Keywords: Analysis of variance ; Assumptions ; Graphics ; Models ; Validation of model ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The computer has made it possible to scrutinize data rapidly by means of graphics. This should be done prior to the application of any model to the data, since the model must be validated before using it as a means of analyzing the data. The procedure is illustrated in terms of two examples of real experimental data.
    Additional Material: 5 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 38 (1995), S. 3831-3853 
    ISSN: 0029-5981
    Keywords: domain decomposition ; dynamics ; nonlinear ; parallel processing ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We present a new efficient and scalable domain decomposition method for solving implicitly linear and non-linear time-dependent problems in computational mechanics. The method is derived by adding a coarse problem to the recently proposed transient FETI substructuring algorithm in order to propagate the error globally and accelerate convergence. It is proved that in the limit for large time steps, the new method converges toward the FETI algorithm for time-independent problems. Computational results confirm that the optimal convergence properties of the time-independent FETI method are preserved in the time-dependent case. We employ an iterative scheme for solving efficiently the coarse problem on massively parallel processors, and demonstrate the effective scalability of the new transient FETI method with the large-scale finite element dynamic analysis on the Paragon XP/S and IBM SP2 systems of several diffraction grating finite element structural models. We also show that this new domain decomposition method outperforms the popular direct skyline solver. The coarse problem presented herein is applicable and beneficial to a large class of Lagrange multiplier based substructuring algorithms for time-dependent problems, including the fictitious domain decomposition method.
    Additional Material: 3 Ill.
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