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

被引：1167

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

页码：14300 / 14306

页数：7

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