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Exploring the conformational space of amorphous cellulose using NMR chemical shifts |
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| Authors: | Tetsuya Mori Eisuke Chikayama Yuuri Tsuboi Nobuhiro Ishida Noriko Shisa Yoshiyuki Noritake Shigeharu Moriya Jun Kikuchi |
| Institution: | Biotechnology Laboratory, Toyota Central R&D Laboratories, Inc., 41-1, Nagakute 480-1192, Japan; Graduate School of Bioagricultural Sciences, Nagoya University, 1 Furo-cho, Chikusa-ku, Nagoya 464-0810, Japan. |
| 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. |
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