Molecular Dynamics Study of Hydrogen Bond Structure and Tensile Strength for Hydrated Amorphous Cellulose

Molecular dynamics (MD) simulations were conducted to investigate the hydrogen-bond (H-bond) structure and its impact on the tensile strength of hydrated amorphous cellulose. The study identifies a stable intramolecular H-bond between the hydroxyl group at position 3 and the ether oxygen at position...

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Veröffentlicht in:	Biomacromolecules 2024-11, Vol.25 (11), p.7249-7259
Hauptverfasser:	Nakamura, Tomoka, Ishiyama, Tatsuya
Format:	Artikel
Sprache:	eng
Schlagworte:	Cellulose - chemistry Elastic Modulus Hydrogen Bonding Hydrophobic and Hydrophilic Interactions Molecular Dynamics Simulation Tensile Strength Water - chemistry
Online-Zugang:	Volltext
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