ISSN:
0098-1273
Keywords:
Physics
;
Polymer and Materials Science
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
Scattering functions for amylose chains have been calculated as a statistical mechanical average over eligible configurations based on the rotational isomeric state approximation. Main emphasis has been placed on an intermediate-angle range (0.1 〈 h = (4π/γ)sinθ 〈 1.0 Å-1) where the scattering function is sensitive to local chain configurations. In order to avoid overestimation of the regularity of chain configurations, the rotational isomeric states for each glycosidic bond have been defined by a set of discrete torsion angles at intervals of 5°. Pair correlation functions for atoms separated by sequences shorter than 31 glucose units are evaluated by the Monte Carlo method, while the interference for longer sequences is calculated by a series expansion in the even moments of the chain. All carbons and all skeletal oxygens are treated as point scatterers in order to incorporate all the interferences between atoms in unit pairs in the calculations. The calculated scattering function shows appreciable oscillation at intermediate angles, reflecting the characteristic helical tendency of the configurations. The Debye function is found to be inadequate in the intermediate-angle region owing to the non-Gaussian character of the distribution function and to breakdown of the assumption that the mean-square distance between a pair of atoms is proportional to the number of bonds between them, because of the bulkiness of the glucose unit.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/pol.1984.180220901
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