Molecular Dynamics Simulations of Bulk Native Crystalline and Amorphous Structures of Cellulose

By K. Mazeau, L. Heux. 2003

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Modelling the crystalline deformation of native and regenerated cellulose (2006, background): “ Mazeau and Heux (2003) state that the remaining flexible rings must be important in the native structure, wherein stabilisation by proteins could play a key role.”
A comparative molecular dynamics study of crystalline, paracrystalline and amorphous states of cellulose (2014, methodology): “2008b) and amorphous cellulose have been modeled and studied by MD simulations in earlier studies (Mazeau and Heux 2003; Liao et al. 2012; Chen et al. 2004a, b, 2007).”
Cellulose nanocrystals: synthesis, functional properties, and applications (2015, neutral): “16 Depending on the inter-and intramolecular interactions and molecular orientations present, cellulose can exist as different polymorphs or allomorphs.”
A critical review of cellulose-based nanomaterials for water purification in industrial processes (2018, background): “Metreveli et al. (2014) demonstrated that a large number of viruses with size[ 50 nm can be removed by cladophora nanocellulose-based filter paper membranes.”