Radical scavenging activity prediction of o-coumaric acid thioamide

Journal of Molecular Structure: THEOCHEM

Volumn 821, Issue 1-3, 2007, Pages 133-138

  Velkov, Zhivko ^a   Balabanova, Elena ^a   Tadjer, Alia ^b  

^a SOUTH WEST UNIVERSITY NEOFIT RILSKI   (Bulgaria)

^b UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

Amides; DPPH test; HF and DFT calculations; Radical scavenging activity; Synthesis; Thioamides

Indexed keywords

EID: 34748883874     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.06.034     Document Type: Article

References (38)

1. Schauman E. In: Patai S. (Ed). The Chemistry of Double Bounded Functional Groups (1989), John Wiley & Sons Ltd., New York
2. Gronroos J.A., and Toivanen A. Curr. Ther. Res. 6 (1964) 105
3. Weinstein H.J., Hallett W.Y., and Sarauw A.S. Am. Rev. Respir. Dis. 86 (1962) 576
4. Yingyongnarongkul B., Apiratikul N., Aroonrerkb N., and Suksamrarn A. Bioorg. Med. Chem. Lett. 16 (2006) 5870
5. Rajan P., Vedernikova I., Cos P., Berghe D.V., Augustyns K., and Haemars A. Bioorg. Med. Chem. Lett. 11 (2001) 215
6. Victor V.M., McCreath K.J., and Rocha M. Rec. Pat. Anti-Inf. Drug Disc. 1 (2006) 17
7. Pliskova M., Vondrachek J., Kren V., Gazak R., Sedmera P., Walterova D., Psotova J., Shimanek V., and Machala M. Toxicology 215 (2005) 80
8. Wu Y.D., and Lai D.K.W. J. Org. Chem. 61 (1996) 7904
9. Korzekwa K.R., Jones J.P., and Gillette J.R. J. Am. Chem. Soc. 112 (1990) 7042
10. van Acker S.A.B.E., de Groot M.J., van den Berg D.-J., Tromp M.N.J.L., Gabrielle Donné-Op den Kelder, van der Vijgh W.J.F., and Bast A. Chem. Res. Toxicol. 9 (1996) 1305
11. Evans Ch., Scaiano J.C., and Ingold K.U. J. Am. Chem. Soc. 114 (1992) 4589
12. Nagaoka S.I., Kuranaka A., Tsuboi H., Nagashima U., and Mukai K. J. Plzys. Chenz. 96 (1992) 2754
13. Mukai K., Uemoto Y., Fukuhara M., Nagoaka S., and Ishizu K. Bull. Chem. Soc. Jpn. 65 (1992) 2016
14. Musialik M., and Litwinienko G. Org. Lett. 7 (2005) 4951
15. Migtiavacca E., Carrupt P.A., and Testa B. Helv. Chim. Acta 80 (1997) 1613
16. van Acker S.A.B.E., Van den Berg D.J., Tromp M.N.J.L., Griffioen D.H., Van Bennekom W.P., Van der Vijgh W.J.F., and Bast A. Free Radic. Bio. Med. 20 3 (1996) 331
17. Bartlett P.A., Spear K.L., and Jacobsen N.E. Biochemistry 21 (1982) 1608
18. Beattie R.E., Elmore D.T., Williams C.H., and Guthriep D.J. Biochem. J. 245 (1987) 285
19. Velkov Zh., Velkov Y., Balabanova E., and Tadjer A. Int. J. Quant. Chem. 107 (2007) 1765
20. Roothan C.C.J. Rev. Mod. Phys. 23 (1951) 69
21. Parr R.G., and Yang W. Density-functional Theory of Atoms and Molecules (1989), Univ. Press, Oxford
22. Petersson G.A., Bennett A., Tensfeldt Th.G., Al-Laham M.A., Shirley W.A., and Mantzaris J. J. Chem. Phys. 89 (1988) 2193
23. Frisch M.J., Pople J.A., and Binkley J.St. J. Chem. Phys. 80 (1984) 3265
24. Bakalbassis E.G., Chatzopoulou A., Melissas V.S., Tsimidou M., Tsolaki M., and Vafiadis A. Lipids 36 (2001) 181
25. Kaur D., Sharma P., Bharatam P.V., and Dogra N. J. Mol. Struc. (Theochem) 759 (2006) 41
26. Clark T., Chandrasekhar J., Spitznagel G.W., and Schleyer P.v.R. J. Comp. Chem. 4 (1983) 294
27. McLean A.D., and Chandler G.S. J. Chem. Phys. 72 (1980) 5639
28. Krishnan R., Binkley J.S., Seeger R., and Pople J.A. J. Chem. Phys. 72 (1980) 650
29. Brinck T., Haeberlein M., and Jonsson M. J. Am. Chem. Soc. 119 (1997) 4239
30. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Jr. Montgomery, T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian 03, Revision B.04, Gaussian Inc., Pittsburgh PA, 2003.
31. König W., and Geiger R. Chem. Ber. (1970) 788
32. Jesberger M., Davis T.P., and Barner L. Synthesis (2003) 1929
33. Rae I.D. Aust. J. Chem. 32 (1979) 567
34. Brand-Williams W., Cuvelier M.E., and Berset C. Lebensm. Wiss. Technol. 28 (1995) 25
35. Nenadis N., and Tsimidou M. J. Am. Oil Chem. Soc. 79 (2002) 119
36. Lucarini M., Pedrielli P., and Pedulli G.F. J. Org. Chem. 61 (1996) 9259
37. Zhang H.-Y., and Wang L.-F. J. Mol. Struct. (Theochem) 673 (2004) 199
38. Himo F., Eriksson L.A., Blomberg M.R.A., and Siegbahn P.E.M. Int. J. Quant. Chem. 76 (2000) 714