Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60


Department of Education and training, District One, Shahr-E-Rey, Tehran, Iran.


In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases examined in this study, resonance energy, chemical potential (µ ), chemical hardness (η) , Energy Gap, Chemical Hardness, Chemical Potential, Dipole moment parameters between Adenine tautomers and their fullerene derivatives were calculated .This organic base as a chemical component of DNA and RNA plays an important role in our body. In this study of fullerenes, we used a nano carrier. The data in tables and graphs and shapes were compared and discussed.


[1] Z. Lin, P.K. Kadaba, Med. Res. Rev., 17, 537 (1997).
[2] W.J. Friedlander, Epilepsia, 27 (3), S1 (1986).
[3] R. Ahmadi, M. Pirahan-foroush, Ann. Mil. Health. Sci. Res., 12, 86 (2014).
[4] P. Kwan, M.J. Brodie, Epilepsia, 45(9), 1141 (2004).
[5] R.L. Rapport, G.A. Ojemann, Arch.Neurol., 32(8), 539 (1975).
[6] H. Biltz, Chemische Berichte, 41 (1), 1379 (1908).
[7] M. Kidwai, Green Chemistry in India; Pure Appl. Chem.,73, 1261 (2001).
[8] G.S. Bell, J. Sander, Seizure, 11 (A), 306 (2002).
[9] K.D. Tripathi, Essentials of Medical Pharmacology, Jaypee Publications: New
Delhi, 495-498 (2003).
[10] C. Bigge, P. Boxer, Ann. Rep. Med.Chem., 29, 13 (1994).
[11] M.G. Wong, J.A Defina, P.R Andrews, J. Med. Chem., 29, 562 (1986).
[12] B. Furniss, J. Hannaford, P.W.G. Smith, A.R. Tatchell, Vogel’s Textbook of Practical
Organic Chemistry; 5th Edition Dorling Kindersley: New Delhi, 1153 (2008).
[13] A. Kadam, S. Jangam, R. OSWAL, E-Journal of Chemistry, 8(S1), S47 (2011).
[14] B. Malawska, Current Topics in Medicinal Chemistry, 5, 69 (2005).
 [15] R. Ahmadi, M. Pirahan-foroush, Ann. Mil. Health. Sci. Res., 12, 39 (2014).
[16] R. Ahmadi, R. Soleymani, Orient. J. Chem., 30, 57 (2014).