Browsing by Author "Emmanuel, Marwa"
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Interactions Between Sodium Ion and Constituents of Chitosan: DFT Study
Emmanuel, Marwa; Pogrebnaya, Tatiana P.; Pogrebnaya, Alexander M. (Science Publishing Group, 2015-09-03)Glucosamine and acetylglucosamine are the constituents of chitosan and chitin natural biopolymers. In the present study, the structure and properties of the D-glucosamine monomer (A), N-acetylglucosamine monomer (B), and ... -
Theoretical Study of the Interaction between Chitosan Constituents (Glucosamine and Acetylglucosamine Dimers) and Na+ Ions
Emmanuel, Marwa; Pogrebnaya, Tatiana P.; Pogrebnaya, Alexander M. (Open Access Library Journal, 2015-10-30)The interaction of dimers of glucosamine and acetylglucosamine molecules with sodium ion has been studied using the DFT/B3LYP approach. The optimization of geometrical parameters and vibrational spectra calculations were ...