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Data for Importance of water in maintaining softwood secondary cell wall nanostructure
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Cresswell, Rosalie, Dupree, Ray, Brown, Steven P., Pereira, Caroline S., Skaf, Munir S., Sorieul, Mathias, Dupree, Paul and Hill, Stefan (2021) Data for Importance of water in maintaining softwood secondary cell wall nanostructure. [Dataset]
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Official URL: http://wrap.warwick.ac.uk/159020/
Abstract
Water is one of the principal constituents by mass of living plant cell walls. However, its role and interactions with secondary cell wall polysaccharides and the impact of dehydration and subsequent rehydration on the molecular architecture are still to be elucidated. This work combines multidimensional solid-state 13C magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) with molecular dynamics modeling to decipher the role of water in the molecular architecture of softwood secondary cell walls. The proximities between all main polymers, their molecular conformations, and interaction energies are compared in never-dried, oven-dried, and rehydrated states. Water is shown to play a critical role at the hemicellulose–cellulose interface. After significant molecular shrinkage caused by dehydration, the original molecular conformation is not fully recovered after rehydration. The changes include xylan becoming more closely and irreversibly associated with cellulose and some mannan becoming more mobile and changing conformation. These irreversible nanostructural changes provide a basis for explaining and improving the properties of wood-based materials.
Item Type: | Dataset | ||||||||||||||||||
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Subjects: | Q Science > QK Botany T Technology > TA Engineering (General). Civil engineering (General) T Technology > TS Manufactures |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Softwood, Polysaccharides, Cellulose, Plant cell walls, Polymers -- Absorption and adsorption | ||||||||||||||||||
Publisher: | University of Warwick, Department of Physics | ||||||||||||||||||
Official Date: | 21 October 2021 | ||||||||||||||||||
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Status: | Not Peer Reviewed | ||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||
Media of Output (format): | topspin files | ||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||
Copyright Holders: | University of Warwick | ||||||||||||||||||
Description: | Pine hydration paper NMR data |
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Date of first compliant deposit: | 19 October 2021 | ||||||||||||||||||
Date of first compliant Open Access: | 21 October 2021 | ||||||||||||||||||
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