| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1230882 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2014 | 5 Pages |
•The Gibbs free energy was obtained.•FTIR studies were an option to apply theoretical calculations.•Using QSAR properties to estimate of the activity of a structure chemical.•The MESP gives information about the proper region.
The structure of glibenclamide, 5-chloro-N-(2-{4-[(cyclohexylamino)carbonyl] aminosulfonyl}phenyl) ethyl)-2-methoxybenzamide, an important antidiabetic drug, has been studied both chitosan using theoretical calculations like Gibbs free energy, electrostatic potential, FTIR and NMR spectroscopy. Fourier transform infrared (FT-IR) spectroscopy reveals information about the molecular interactions of chemical components and is useful to characterization of hydrogel. Nucleophilic and electrophilic regions were calculated using the electrostatic potential.
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