Crystal structure and hydrogen bonding system in cellulose 1α, from synchrotron X-ray and neutron fiber diffraction

被引：1169
|
作者：
Nishiyama, Y
Sugiyama, J
Chanzy, H
Langan, P
机构：
[1] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA
[2] Univ Tokyo, Grad Sch Agr & Life Sci, Dept Biomat Sci, Bunkyo Ku, Tokyo 113, Japan
[3] Kyoto Univ, Wood Res Inst, Uji, Kyoto 6110011, Japan
[4] Univ Grenoble 1, CNRS, Ctr Rech Macromol Vegetales, F-38041 Grenoble 9, France
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2003年 / 125卷 / 47期
关键词：
D O I：
10.1021/ja037055w
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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.
引用
收藏
页码：14300 / 14306
页数：7
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