Theoretical Studies of the Solvation, Dynamics, and Photochemistry of Ethylene, Retinal Protonated Schiff Base, Oligocellulose, and Gd(III) Clusters
type: CreativeWork
description: The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.
abstract: The solution dynamics of an anomerically pure series of cellulose oligomers have been studied by 13C NMR relaxation techniques and compared to molecular dynamics (MD) simulations. We found evidence of anisotropic motion across the series, with experimentally determined order parameters (S 2) ranging from 0.30 to 0.52 and computationally determined S 2 values of 0.40 to 0.73. Together experiment and simulation indicate that each glycosidic linkage becomes much more rigid as the oligosaccharide increases in length.
author: Owens, Jane Michelle
language: eng
keywords: Chemistry, Physical
date published: 2015-09-25T22:13:18Z
date modified: 2026-07-22T22:26:22Z
provider: University of Illinois - Urbana-Champaign
publisher: Networked Digital Library of Theses and Dissertations
type: WebPage
source organization: University of Illinois at Urbana-Champaign

PropertyValue
property ID: Handle
value: http://hdl.handle.net/2142/84170