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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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Pine unprocessed NMR data.zip - Published Version
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Official URL: http://wrap.warwick.ac.uk/159020/

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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
Subjects: Q Science > QK Botany
T Technology > TA Engineering (General). Civil engineering (General)
T Technology > TS Manufactures
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
Dates:
DateEvent
21 October 2021Published
19 October 2021Available
12 October 2021Created
Status: Not Peer Reviewed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
The folders contain unprocessed topspin files of all experiments presented in the paper. The experiments are split into separate folders for each sample.

Date of first compliant deposit: 19 October 2021
Date of first compliant Open Access: 21 October 2021
RIOXX Funder/Project Grant:
Project/Grant IDRIOXX Funder NameFunder ID
C04X1707, Fibre Grand DesignMinistry of Business, Innovation and Employmenthttp://dx.doi.org/10.13039/501100003524
2013/08293-7Fundacao de Amparo a Pesquisa de Sao Paulohttp://viaf.org/viaf/147398725
2015/25031-1Fundacao de Amparo a Pesquisa de Sao Paulohttp://viaf.org/viaf/147398725
639907 European Research Councilhttp://dx.doi.org/10.13039/501100000781
UNSPECIFIEDUniversity of Warwickhttp://dx.doi.org/10.13039/501100000741
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Contributors:
ContributionNameContributor ID
DepositorBrown, Steven P.1193

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