Premium
Critical Comparison of Two Models Describing Segmental Dynamics of Polymer Chains in Dilute Solutions
Author(s) -
Kanetakis John,
Dais Photis
Publication year - 2001
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20011001)10:8<789::aid-mats789>3.0.co;2-r
Subject(s) - statistical physics , correlation function (quantum field theory) , polymer , chain (unit) , macromolecule , function (biology) , amplitude , molecular dynamics , dynamics (music) , connection (principal bundle) , thermodynamics , chemistry , biological system , physics , computational chemistry , mathematics , nuclear magnetic resonance , optics , quantum mechanics , biochemistry , geometry , evolutionary biology , acoustics , dielectric , biology
This study attempts to find connection between the Dejean de la Batie‐Laupretre‐Monnerie bimodal correlation function for polymer chain motions in dilute solutions and the model‐free approach developed by Lipari and Szabo. Numerical fits of the Dejean de la Batie‐Laupretre‐Monnerie model to the model‐free approach in both the time and frequency domains allow the determination of specific conditions, under which the motional parameters (correlation times and amplitudes of internal motions) of one model can be converted to the parameters of the other model. This conversion is very useful in cases where NOESY experiments in conjunction with computational methods, incorporating the model‐free approach, are used for the determination of the three dimensional structures of synthetic and biological macromolecules.