Exploring the conformational space of amorphous cellulose using NMR chemical shifts
2012; Elsevier BV; Volume: 90; Issue: 3 Linguagem: Inglês
10.1016/j.carbpol.2012.06.027
ISSN1879-1344
AutoresTetsuya Mori, Eisuke Chikayama, Yuuri Tsuboi, Nobuhiro Ishida, Noriko Shisa, Yoshiyuki Noritake, Shigeharu Moriya, Jun Kikuchi,
Tópico(s)Catalysis for Biomass Conversion
Resumo(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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