Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

Abstract

Chitosan membrane as an oil carrier: Spectroscopic and modeling analyses

Author(s): Diaa Atta, Ahmed Fakhry and Medhat Ibrahim*

Chitosan is loaded with olive oil and then subjecte d to Fourier transform infrared spectroscopic study . FTIR spectra of chitosan as well as the loaded chitosan show tha t olive oil is weakly bonded with chitosan. Both sp ectra are nearly identical which could be an indication that, chitosan is an ideal structure for loading olive o il. Molecular modeling at B3LYP/6-31g(d,p) level of theory is uti lized to investigate the physical as well as electr onic differences between chitosan and oil loaded chitosan. Glycine i s chosen as a model molecule for olive oil. Calcula ted total dipole moment indicates that; chitosan became highl y interacting with its surrounding as far as olive oil loading is concerned. It indicates that, olive oil/chitosan in teraction requires only -0.1372 au, meaning that, s mall amount of energy is needed for such interaction, which confir ms the FTIR and the model molecule results that suc h interaction is weak.


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