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

Nishiyama, Yoshiharu, Langan, Paul, Chanzy, Henri·2002·Journal of the American Chemical Society
DOI 10.1021/ja0257319
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Abstract

The crystal and molecular structure, together with the hydrogen-bonding system in cellulose I(alpha), 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(alpha) and previously for cellulose I(beta) provide potential explanations for the solid-state conversion of I(alpha) --> I(beta) and for the occurrence of two crystal phases in naturally occurring cellulose.

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Metadata

Authors
Nishiyama, Y., Langan, P., & Chanzy, H.
Venue
Journal of the American Chemical Society
Publisher
American Chemical Society (ACS)
Published
2002-07-10
Volume
124
Issue
31
Pages
9074-9082
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
DOI
10.1021/ja0257319
OpenAlex
W1996442036
Cited by
3,028
References
2
FWCI
16.80
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction. https://app.cochat.ai/papers/10.1021/ja0257319
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Nishiyama, Y., Langan, P., & Chanzy, H. (2002). Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction. Journal of the American Chemical Society. https://doi.org/10.1021/ja0257319

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