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dc.contributor.authorCresswell, Rosalie
dc.contributor.authorDupree, Ray
dc.contributor.authorBrown, Steven P
dc.contributor.authorPereira, Caroline S
dc.contributor.authorSkaf, Munir S
dc.contributor.authorSorieul, Mathias
dc.contributor.authorDupree, Paul
dc.contributor.authorHill, Stefan
dc.date.accessioned2021-11-25T02:02:46Z
dc.date.available2021-11-25T02:02:46Z
dc.date.issued2021-11-08
dc.identifier.issn1525-7797
dc.identifier.otherPMC8579401
dc.identifier.other34669375
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/331091
dc.description.abstractWater 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.
dc.description.sponsorshipNew Zealand Ministry of Business, Innovation and Employment (MBIE) Endeavour Fund (Contract No. C04X1707, Fibre Grand Design) The European Research Council (ERC Starting Grant 639907 awarded to Józef Lewandowski) and the University of Warwick funded the 700 MHz Bruker Avance III spectrometer
dc.languageeng
dc.publisherAmerican Chemical Society (ACS)
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.sourceessn: 1526-4602
dc.sourcenlmid: 100892849
dc.titleImportance of Water in Maintaining Softwood Secondary Cell Wall Nanostructure.
dc.typeArticle
dc.date.updated2021-11-25T02:02:45Z
prism.publicationNameBiomacromolecules
dc.identifier.doi10.17863/CAM.78536
dc.identifier.doi10.17863/CAM.78536
dcterms.dateAccepted2021-10-05
rioxxterms.versionofrecord10.1021/acs.biomac.1c00937
rioxxterms.versionVoR
rioxxterms.licenseref.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.contributor.orcidBrown, Steven P [0000-0003-2069-8496]
dc.contributor.orcidSkaf, Munir S [0000-0001-7485-1228]
dc.contributor.orcidSorieul, Mathias [0000-0001-7326-3707]
dc.contributor.orcidDupree, Paul [0000-0001-9270-6286]
dc.contributor.orcidHill, Stefan [0000-0003-4452-9152]
dc.identifier.eissn1526-4602
pubs.funder-project-idFunda????o de Amparo ?? Pesquisa do Estado de S??o Paulo (2015/25031-1, 2013/08293-7)
pubs.funder-project-idMinistry of Business, Innovation and Employment (C04X1707)
pubs.funder-project-idEuropean Research Council (639907)
cam.issuedOnline2021-10-20


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Attribution-NonCommercial-NoDerivatives 4.0 International
Except where otherwise noted, this item's licence is described as Attribution-NonCommercial-NoDerivatives 4.0 International