Chitosan molecular structure as a function of N-acetylation

• Published in: Biopolymers Vol. 95; no. 7; pp. 448 - 460
• Main Authors: Franca, Eduardo F., Freitas, Luiz C. G., Lins, Roberto D.
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.07.2011
• Subjects: 08 HYDROGEN; ACETYLATION; Biopolymers; CHAINS; CHITIN; Chitosan; Chitosan - chemistry; DISTRIBUTION; ELECTROSTATICS; Environmental Molecular Sciences Laboratory; FLEXIBILITY; HYDROGEN; Hydrogen Bonding; Molecular Conformation; MOLECULAR STRUCTURE; nanoparticle; Nanoparticles - chemistry; Nanostructure; ORIENTATION; POLYSACCHARIDES; Reproduction; salvation; SOLUBILITY; SOLVATION; SPATIAL DISTRIBUTION; STABILITY; SWELLING; WATER

Molecular dynamics simulations have been carried out to characterize the structure and solubility of chitosan nanoparticle‐like structures as a function of the deacetylation level (0, 40, 60, and 100%) and the spatial distribution of the N‐acetyl groups in the particles. The polysaccharide chains of...