On the conformational properties of amylose and cellulose oligomers in solution

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Title On the conformational properties of amylose and cellulose oligomers in solution
Author Winger, Moritz; Christen, Markus; Gunsteren, Wilfred F. van
Journal Name International Journal of Carbohydrate Chemistry
Year Published 2009
Place of publication United States
Publisher Hindawi Publishing Corporation
Abstract Molecular dynamics (MD) simulations were used to monitor the stability and conformation of double-stranded and single-stranded amyloses and single-stranded cellulose oligomers containing 9 sugar moieties in solution as a function of solvent composition, ionic strength, temperature, and methylation state. This study along with other previous studies suggests that hydrogen bonds are crucial for guaranteeing the stability of the amylose double helix. Single-stranded amylose forms a helical structure as well, and cellulose stays highly elongated throughout the simulation time, a behavior that was also observed experimentally. In terms of coordination of solute hydroxyl groups with ions, amylose shows entropy-driven coordination of calcium and sulfate ions, whereas cellulose-ion coordination seems to be enthalpy-dominated. This indicates that entropy considerations cannot be neglected when explaining the structural differences between amyloses and celluloses.
Peer Reviewed Yes
Published Yes
Alternative URI http://dx.doi.org/10.1155/2009/307695
Copyright Statement Copyright remains with the authors 2009. The attached file is posted here with permission of the copyright owners for your personal use only. No further distribution permitted.For information about this journal please refer to the journal's website. The online version of this work is licensed under a Creative Commons License, available at http://creativecommons.org/licenses/by-nc-sa/2.1/au/
Volume 2009
Page from 1
Page to 8
ISSN 1687-9341
Date Accessioned 2011-03-15
Language en_AU
Faculty Faculty of Science, Environment, Engineering and Technology
Subject Biological Sciences
URI http://hdl.handle.net/10072/37920
Publication Type Journal Articles (Refereed Article)
Publication Type Code c1x

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