Computational Studies on the Ground State Tautomer, Hydrogen Conformations and Vibrational Spectroscopic Analysis of Antitumor Agents: 3-Deazauracil and 6-Azauracil

ar rak; Nurettin Krzlü; Yusuf Sert; Fatih Ucun

doi:10.3964/j.issn.1000-0593(2018)04-1276-07

[1] Shnider B I, Frei E, Tuohy J H, et al. Cancer Res., 1960, 20: 28.

[2] Shirasaka T, Nakano K, Takechi T, et al. Cancer Res., 1996, 56: 2602.

[3] Nishimura G, Yanoma S, Mizuno H, et al. Cancer Let., 2000, 159: 1.

[4] Takechi T, Fujioka A, Matsushima E, et al. Europ. J. Cancer, 2002, 38: 1271.

[5] Hrdlicka P J, Jepsen J S, Nielsen C, et al. Bioorgan. Med. Chem., 2005, 13: 1249.

[6] Gudin S, Quashie N B, Candlish D, et al. Exp. Parasistol., 2006, 114: 118.

[7] Low J N, Wilson C C. Acta Crystallog, 1983, C39: 1688.

[8] Wadsworth J W, Wilson C C, David W I F. Nucleos. Nucleot. Nucl., 1989, 8: 537.

[9] Wilson C C, Wadsworth J W. Acta Crystallog, 1990, A46: 258.

[10] Wilson C C. J. Chem. Crystalogr., 1994, 24: 371.

[11] Portalone G. Acta Crystallog, 2008, E64: 1107.

[12] Stewart R F, Jensen L H. Acta Crystallog, 1967, 23: 1102.

[13] Singh P, Hodgson D J. Acta Crystallog, 1974, B30: 1430.

[14] Lowe P R, Schwalbe C H. Acta Crystallog, 1998, C54: 1936.

[15] Frish A, Nielsen A B, Holder A J. Gauss View User Manual, Gaussian Inc. Pittsburg, PA, 2001.

[16] Frisch M J, Trucks G W, Schlegel H B, et al. GAUSSIAN 03, Revision C.02, Gaussian Inc., Pittsburgh, PA, 2003.

[17] Young D C. Computational Chemistry: A Practical Guide for Applying Techniques to Real-World Problems, (Electronics), John Wiley Sons, Inc., New York, 2001.

[18] Jamróz M H. Vibrational Energy Distribution Analysis VEDA 4, Warsaw, 2004.

[19] Jamróz M H, Dobrowolski J C, Brzozowski R. J. Mol. Struct., 2006, 787: 172.

[20] Arslan H, Algül , Dündar Y. Vib. Spectroc., 2007, 44: 248.

[21] Arslan H, Algül . Spectrochim. Acta A, 2008, 70: 109.

[22] Wilson E B, Decius J C, Cross P C. Molecular Vibrations, Dover Pub. Inc., New York, 1980.

[23] Salam A, Ucun F, Gülü V. Spectrochim. Acta A, 2007, 67: 465.

[24] Salam A, Ucun F. Z. Naturforsch, 2008, 61a: 175.

[25] SDBSWeb: http://riodb01.ibase.aist.go.jp/sdbs/ (National Institude of Advanced Industrial Science and Technology, 2009).

[26] rak , Sert Y, Ucun F. Spectrochim. Acta A, 2012, 92: 406.

[27] Palafox M A, Tardajos G, Guerrero-Martinez A, et al. Chem. Phys., 2007, 340: 17.

[28] Ramalingam S, Periandy S, Mohan S. Spectrochim. Acta A, 2010, 77: 73.

[29] Akalin E, Akyuz S, Akyuz T. J. Mol. Struct., 2007, 834-836: 477.