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Water in crystalline fibers of dihydrate ?-chitin results in unexpected absence of intramolecular hydrogen bonding.

ABSTRACT: The complete crystal structure (including hydrogen) of dihydrate ?-chitin, a homopolymer of N-acetylglucosamine hydrate, was determined using high-resolution X-ray and neutron fiber diffraction data collected from bathophilous tubeworm Lamellibrachia satsuma. Two water molecules per N-acetylglucosamine residue are clearly localized in the structure and these participate in most of the hydrogen bonds. The conformation of the labile acetamide groups and hydroxymethyl groups are similar to those found in anhydrous ?-chitin, but more relaxed. Unexpectedly, the intrachain O3-H...O5 hydrogen bond typically observed for crystalline ?,1-4 glycans is absent, providing important insights into its relative importance and its relationship to solvation.

SUBMITTER: Sawada D

PROVIDER: S-EPMC3378566 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature

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Water in crystalline fibers of dihydrate β-chitin results in unexpected absence of intramolecular hydrogen bonding.

Sawada Daisuke D Nishiyama Yoshiharu Y Langan Paul P Forsyth V Trevor VT Kimura Satoshi S Wada Masahisa M

PloS one 20120619 6

The complete crystal structure (including hydrogen) of dihydrate β-chitin, a homopolymer of N-acetylglucosamine hydrate, was determined using high-resolution X-ray and neutron fiber diffraction data collected from bathophilous tubeworm Lamellibrachia satsuma. Two water molecules per N-acetylglucosamine residue are clearly localized in the structure and these participate in most of the hydrogen bonds. The conformation of the labile acetamide groups and hydroxymethyl groups are similar to those fo ...[more]

PMID: 22724007

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