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Exploring the conformational space of amorphous cellulose using NMR chemical shifts. 2012
Tetsuya Mori, and
Eisuke Chikayama, and
Yuuri Tsuboi, and
Nobuhiro Ishida, and
Noriko Shisa, and
Yoshiyuki Noritake, and
Shigeharu Moriya, and
Jun Kikuchi
Biotechnology Laboratory, Toyota Central R&D Laboratories, Inc., 41-1, Nagakute 480-1192, Japan. tmori@psc.riken.jp
(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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