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Carbohydr Polym. 2012 Oct 15;90(3):1197-203. doi: 10.1016/j.carbpol.2012.06.027. Epub 2012 Jun 19.

Exploring the conformational space of amorphous cellulose using NMR chemical shifts.

Author information

1
Biotechnology Laboratory, Toyota Central R&D Laboratories, Inc., 41-1, Nagakute 480-1192, Japan. tmori@psc.riken.jp

Abstract

(13)C-labeled amorphous cellulose and (13)C NMR chemical shifts by 2D (13)C-(13)C correlation spectroscopy were obtained in the regenerated solid-state from ionic liquids. On the basis of the assigned chemical shifts, combined with information from molecular dynamics and quantum chemistry computer simulations a twisted structure for amorphous cellulose is proposed exposing more hydrophilic surface than that of extended crystalline cellulose.

PMID:
22939331
DOI:
10.1016/j.carbpol.2012.06.027
[Indexed for MEDLINE]
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