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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Importance of Water in Maintaining Softwood Secondary Cell Wall Nanostructure

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Cresswell, Rosalie [1] ; Dupree, Ray [1] ; Brown, Steven P. [1] ; Pereira, Caroline S. [2, 3] ; Skaf, Munir S. [2, 3] ; Sorieul, Mathias [4] ; Dupree, Paul [5] ; Hill, Stefan [4]
Total Authors: 8
[1] Univ Warwick, Phys Dept, Coventry CV4 7AL, W Midlands - England
[2] Univ Campinas UNICAMP, Inst Chem, BR-13084862 Campinas, SP - Brazil
[3] Univ Campinas UNICAMP, Ctr Comp Engn & Sci, BR-13084862 Campinas, SP - Brazil
[4] Scion, Rotorua 3010 - New Zealand
[5] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW - England
Total Affiliations: 5
Document type: Journal article
Source: Biomacromolecules; v. 22, n. 11, p. 4669-4680, NOV 8 2021.
Web of Science Citations: 0

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 C-13 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. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 15/25031-1 - Molecular Dynamics of Carbohydrate Modifying Enzymes for Lignocellulosic Biomass Deconstruction and Valorization
Grantee:Caroline Simões Pereira
Support Opportunities: Scholarships in Brazil - Doctorate