Synchrotron X-ray structures of cellulose Iβ and regenerated cellulose II at ambient temperature and 100 K

Paul Langan, Narayanasami Sukumar, Yoshiharu Nishiyama, Henri Chanzy

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106 Scopus citations

Abstract

Synchrotron X-ray data have been collected to 1.4 Å resolution at the NE-CAT beam-line at the Advanced Photon Source from fibers of cellulose Iβ and regenerated cellulose II (Fortisan) at ambient temperature and at 100 K in order to understand the effects of low temperature on cellulose more thoroughly. Crystal structures have been determined at each temperature. The unit cell of regenerated cellulose II contracted, with decreasing temperature, by 0.25%, 0.22% and 0.1% along the a, b, and c axes, respectively, whereas that of cellulose Iβ contracted only in the direction of the a axis, by 0.9%. The value of 4.6 × 10-5 K-1 for the thermal expansion coefficient of cellulose Iβ in the a axis direction can be explained by simple harmonic molecular oscillations and the lack of hydrogen-bonding in this direction. The molecular conformations of each allomorph are essential unchanged by cooling to 100 K. The room temperature crystal structure of regenerated cellulose II is essentially identical to the crystal structure of mercerized cellulose II.

Original languageEnglish
Pages (from-to)551-562
Number of pages12
JournalCellulose
Volume12
Issue number6
DOIs
StatePublished - Dec 2005
Externally publishedYes

Funding

The X-ray data were collected at the NE-CAT beam-lines of the Advanced Photon Source, which is supported by award PR-15301 from the NCRR at the NIH. P.L. thanks the Office of Science and the Office of Biological and Environmental Research of the US Department of Energy for financial support.

FundersFunder number
Office of Biological and Environmental Research
US Department of Energy
National Institutes of Health
National Center for Research Resources
Office of Science

    Keywords

    • Cellulose I
    • Cellulose II
    • Crystal structure
    • Fiber diffraction
    • Fortisan
    • Low temperature
    • Regenerated cellulose
    • X-ray diffraction

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