Mansur Sa'id
Yusuf Maitama Sule University Kano
Title: Determination of Infrared, Raman, (1H and 13C)-NMR and Density of State of Nateglinide Oral Antidiabetic Drug
Biography:
Abstract:
Diabetes is a defect in the body’s ability to convert excess glucose to glycogen. Two classes of antidiabetic drugs were identified and nateglinide is a sub-division of oral antidiabetic drugs belonging to Meglitinides family. Gaussian 09 code which use density function theory as working principle was used to study the geometric, infrared, Raman, 1H-NMR, 13C-MNR spectrum and density of state of the nateglinide antidiabetic drug using exchange functional B3LYP/6-311G. For the geometry optimization, it was observed that, there is appearance of a new additional bond between C12 and N4 which changes the natural nature of both 1H-NMR and 13C-NMR spectra. For infrared and Raman spectra, functional groups and polarizability were observed. However, the result of density of state shows the large band gap of 5.46758eV and most of the orbitals were occupied at lower valance band.
Keywords: Nateglinide, Infrared, 1H-NMR, 13C-NMR, Density of state (DOS) and Raman Spectra.
Mansur Sa'id
Yusuf Maitama Sule University Kano
Title: Determination of Infrared, Raman, (1H and 13C)-NMR and Density of State of Nateglinide Oral Antidiabetic Drug
Biography:
Abstract:
Diabetes is a defect in the body’s ability to convert excess glucose to glycogen. Two classes of antidiabetic drugs were identified and nateglinide is a sub-division of oral antidiabetic drugs belonging to Meglitinides family. Gaussian 09 code which use density function theory as working principle was used to study the geometric, infrared, Raman, 1H-NMR, 13C-MNR spectrum and density of state of the nateglinide antidiabetic drug using exchange functional B3LYP/6-311G. For the geometry optimization, it was observed that, there is appearance of a new additional bond between C12 and N4 which changes the natural nature of both 1H-NMR and 13C-NMR spectra. For infrared and Raman spectra, functional groups and polarizability were observed. However, the result of density of state shows the large band gap of 5.46758eV and most of the orbitals were occupied at lower valance band.
Keywords: Nateglinide, Infrared, 1H-NMR, 13C-NMR, Density of state (DOS) and Raman Spectra.