Document Type : Research Paper
Authors
Department of Chemistry, College of chemistry, Shahr-E-Rey Branch, Islamic Azad University, Tehran, Iran.
Abstract
In this research at the first fluoxetine drug and its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemical hardness (η), Thermodynamic Properties was determined and the coefficients of hybrid bonds (π, σ) and the orbital portion of the bonds p (π, σ) was performed. In another part, the core and the valence electrons of atoms were compared. This drug as a major therapeutic category is antidepressant drug. In this study of fullerenes, we used nano drug carriers. The data in tables and graphs and shapes were compared and discussed
Keywords
2. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Nature, 438, (2005), 1970.
3. M. Terrones, A. Botello-Mendez, J. Campos-Delgado, F. Lopez-Urias, Nano Today, 5, (2010), 351.
4. B.C. Brodie, Ann. Chim. Phys, 59, (1860), 466.
5. W.S. Hummers, R.E. Offeman, J. Am. Chem. Soc, 80, (1958), 1339.
6. S. Stankovich, D.A. Dikin, G.H.B. Dommett, Nature, 442, (2006), 286.
7. Z. Gomez, R.T. Weitz, A.M. Bittner, M. Scolari, A. Mews, Nano Letters, 7, (2007), 3499.
8. W.W. Cai, R.D. Piner, F.J. Stedemann, S. Park, R.S. Ruoff, Journal of Physical Chemistry, 321, (2008), 1815.
9. W. Gao, L.B. Alemany, L. Ci, P.M. Ajayan, Nature Chemistry, 1, (2009).
10. G.C. Barrette, D.T. Elmore, Amino Acids and Peptides, Cambridge University Press, (1998).
11. R.W. Fuller, K.W. Perry, B.B. Molloy, Life Sciences, 15 (6), (1974) 1161.
12. K. Groshan, R.D. Blakely, E. Richelson, European Journal of Pharmacology, 340 (1997), 249.
13. E.P. Pälvimäki, B.L. Roth, H. Majasuo, et al, Psychopharmacology, 126 (3), (1996) 234.
14. N. Narita, K. Hashimoto, S. Tomitaka, Y. Minabe, European Journal of Pharmacology, 307 (1), (1996), 117.
15. K. Hashimoto, Central Nervous System Agents in Medicinal Chemistry, 9 (3), (2009), 197.
)