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WallGen, Software to Construct Layered Cellulose-Hemicellulose Networks and Predict Their Small Deformation Mechanics

Kha, Hung; Tuble, Sigrid; Kalyanasundaram, Shankar; Williamson, Richard

Description

We understand few details about how the arrangement and interactions of cell wall polymers produce the mechanical properties of primary cell walls. Consequently, we cannot quantitatively assess if proposed wall structures are mechanically reasonable or assess the effectiveness of proposed mechanisms to change mechanical properties. As a step to remedying this, we developed WallGen, a Fortran program (available on request) building virtual cellulose-hemicellulose networks by stochastic...[Show more]

dc.contributor.authorKha, Hung
dc.contributor.authorTuble, Sigrid
dc.contributor.authorKalyanasundaram, Shankar
dc.contributor.authorWilliamson, Richard
dc.date.accessioned2015-12-08T22:22:59Z
dc.identifier.issn0032-0889
dc.identifier.urihttp://hdl.handle.net/1885/32685
dc.description.abstractWe understand few details about how the arrangement and interactions of cell wall polymers produce the mechanical properties of primary cell walls. Consequently, we cannot quantitatively assess if proposed wall structures are mechanically reasonable or assess the effectiveness of proposed mechanisms to change mechanical properties. As a step to remedying this, we developed WallGen, a Fortran program (available on request) building virtual cellulose-hemicellulose networks by stochastic self-assembly whose mechanical properties can be predicted by finite element analysis. The thousands of mechanical elements in the virtual wall are intended to have one-to-one spatial and mechanical correspondence with their real wall counterparts of cellulose microfibrils and hemicellulose chains. User-defined inputs set the properties of the two polymer types (elastic moduli, dimensions of microfibrils and hemicellulose chains, hemicellulose molecular weight) and their population properties (microfibril alignment and volume fraction, polymer weight percentages in the network). This allows exploration of the mechanical consequences of variations in nanostructure that might occur in vivo and provides estimates of how uncertainties regarding certain inputs will affect WallGen's mechanical predictions. We summarize WallGen's operation and the choice of values for user-defined inputs and show that predicted values for the elastic moduli of multinet walls subject to small displacements overlap measured values. "Design of experiment" methods provide systematic exploration of how changed input values affect mechanical properties and suggest that changing microfibril orientation and/or the number of hemicellulose cross-bridges could change wall mechanical anisotropy.
dc.publisherAmerican Society of Plant Biologists
dc.sourcePlant Physiology
dc.subjectKeywords: cellulose; hemicellulose; polysaccharide; anisotropy; article; cell wall; chemistry; computer program; fiber; finite element analysis; Young modulus; Anisotropy; Cell Wall; Cellulose; Elastic Modulus; Finite Element Analysis; Microfibrils; Polysaccharides
dc.titleWallGen, Software to Construct Layered Cellulose-Hemicellulose Networks and Predict Their Small Deformation Mechanics
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume152
dc.date.issued2010
local.identifier.absfor060702 - Plant Cell and Molecular Biology
local.identifier.ariespublicationu4956746xPUB94
local.type.statusPublished Version
local.contributor.affiliationKha, Hung, College of Medicine, Biology and Environment, ANU
local.contributor.affiliationTuble, Sigrid, College of Medicine, Biology and Environment, ANU
local.contributor.affiliationKalyanasundaram, Shankar, College of Engineering and Computer Science, ANU
local.contributor.affiliationWilliamson, Richard, College of Medicine, Biology and Environment, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.startpage774
local.bibliographicCitation.lastpage786
local.identifier.doi10.1104/pp.109.146936
local.identifier.absseo970106 - Expanding Knowledge in the Biological Sciences
dc.date.updated2016-02-24T11:29:40Z
local.identifier.scopusID2-s2.0-75949105023
local.identifier.thomsonID000274246600033
CollectionsANU Research Publications

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