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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 1 (1969), S. 41-55 
    ISSN: 1572-9613
    Keywords: DNA ; helical molecule ; computer simulation ; biopolymers ; Langevin equation ; bead-spring macromolecule ; polymer dynamics ; unwinding of DNA ; tensile relaxation ; Rouse-Bueche model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract This paper investigates the use of a high-speed computer to simulate the unwinding of DNA. A Langevin equation of motion for the well-known bead-spring statistical macromolecule is written in difference form. An appropriate set of boundary conditions is developed to simulate a helical molecule and the resulting set of rules for the motion of the chain elements is used to produce the strand unwinding. The unwinding appears to proceed via initial end-unwinding followed by progressive unwinding inward. The latter process appears to occur by diffusion of twist outward from the central portion of the macromolecule. A computer simulation, using the Langevin equation, of linear tensile relaxation is compared with the appropriate analytical solution via the Rouse treatment of polymer dynamics, good agreement being obtained. The helical results are compared both with tensile relaxation and with Crothers' (1964) analytical treatment of the unwinding problem, which is analogous to the well-known temperature diffusion problem. The tensile results and Crothers' results are identical in form, and agree quantitatively remarkably closely with the computer-simulated helical unwinding, although the helical unwinding is somewhat slower.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science Part A-2: Polymer Physics 6 (1968), S. 294-299 
    ISSN: 0449-2978
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 12 (1974), S. 1639-1648 
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The theory of the preceding paper is compared with previously unpublished experimental results on the viscoelastic properties of two polystyrene fractions of molecular weight 1.9 × 106 and 1.2 × 106 in nitropropane, which is very nearly a theta solvent, and in toluene, a good solvent. At the concentrations used, around 1%, the theory predicts extensive departures from non-draining toward free-draining behavior; these effects are observed. The theory similarly fits experimental data of Johnson on a sample of polystyrene of molecular weight 860,000 in decalin and dioctyl phthalate in the same concentration range.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 12 (1974), S. 1619-1637 
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The theories of viscoelasticity of chain-molecule solutions, based on the bead-spring model, have been modified to take into account approximately the effect of interactions among chain molecules. The motion of a given chain molecule has been analyzed in detail while all other chain molecules have been treated as a background of uniformly distributed beads in which the given chain molecule is suspended. The inclusion of intermolecular interactions leads to a hydrodynamic interaction tensor, which after averaging, differs from that of Kirkwood by a concentration-dependent correction term. The modified theory correctly predicts the transition from the non-draining to the free-draining behavior which has been observed in chain-molecule solutions as their concentrations are increased.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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