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Cited by 1,485

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Crystal Structure and Hydrogen Bonding System in Cellulose Iα from Synchrotron X-ray and Neutron Fiber Diffraction

Nishiyama, Yoshiharu, Sugiyama, Junji, Chanzy, Henri, Langan, Paul·2003·Journal of the American Chemical Society
DOI 10.1021/ja037055w
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Abstract

The crystal and molecular structure, together with the hydrogen-bonding system in cellulose I α, has been determined using atomic-resolution synchrotron and neutron diffraction data recorded from oriented fibrous samples prepared by aligning cellulose microcrystals from the cell wall of the freshwater alga Glaucocystis nostochinearum . The X-ray data were used to determine the C and O atom positions. The resulting structure is a one-chain triclinic unit cell with all glucosyl linkages and hydroxymethyl groups ( tg ) identical. However, adjacent sugar rings alternate in conformation giving the chain a cellobiosyl repeat. The chains organize in sheets packed in a “parallel-up” fashion. The positions of hydrogen atoms involved in hydrogen-bonding were determined from a Fourier-difference analysis using neutron diffraction data collected from hydrogenated and deuterated samples. The differences between the structure and hydrogen-bonding reported here for cellulose I α and previously for cellulose I β provide potential explanations for the solid-state conversion of I α → I β and for the occurrence of two crystal phases in naturally occurring cellulose.

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Metadata

Authors
Nishiyama, Y., Sugiyama, J., Chanzy, H., & Langan, P.
Venue
Journal of the American Chemical Society
Publisher
American Chemical Society (ACS)
Published
2003-11-01
Volume
125
Issue
47
Pages
14300-14306
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
DOI
10.1021/ja037055w
OpenAlex
W4206872134
Cited by
1,485
References
2
FWCI
13.89
Type
journal article
Language
en
Open access
closed

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