Structures, stabilities & conformational behaviors of hydrogen-atom abstractions of cytosine nucleosides: AIM & NBO analysis

Computational and Theoretical Chemistry

Volumn 971, Issue 1-3, 2011, Pages 19-29

  Tehrani, Zahra Aliakbar ^a   Javan, Marjan Jebeli ^a   Fattahi, Alireza ^a   Hashemi, Mohammad Mahmoodi ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

AIM theory; Cytosine nucleosides; DFT study; Hydrogen atom abstraction; Sugar puckering mode

Indexed keywords

EID: 84855491553     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.05.033     Document Type: Article

References (57)

1. Cleaver J.E. DNA Repair 2002, 1:977.
2. Advances in Radiation Biology 1987, Academic Press, New York. D. Becker, M.D. Sevilla, J.T. Lett, W.K. Sinclair (Eds.).
3. Advances in Radiation Biology 1993, Academic Press, New York. D. Becker, M.D. Sevilla, J.T. Lett, H. Adler (Eds.).
4. Anny-Odile C., Sevilla M.D. J. Phys. Chem. 1995, 99:3867.
5. Wang W., Yan M., Becker D., Sevilla M.D. Radiat. Res. 1994, 137:2.
6. Hole E.O., Nelson W.H., Sagstuen E., Close D.M. Radiat. Res. 1992, 129:119.
7. Westhof E., Sundaralingam M. J. Am. Chem. Soc. 1980, 102:1493.
8. Karam L.R., Dizdaroglu M., Simic M.G. Radiat. Res. 1986, 116:210.
9. Wendy K.P., Thomas D.T. Chem. Rev. 1998, 98:1089.
10. Danche L. Eur. Phys. J. 2005, 35:367.
11. Pan X., Cloutier P., Hunting D., Sanche L. Phys. Rev. Lett. 2003, 90:208102.
12. Vilenchik M.M., Knudson A.G. Proc. Natl. Acad. Sci. USA 2003, 100:12871.
13. Barrios R., Skurski P., Simons J. J. Phys. Chem. B 2002, 106:7991-7994.
14. Adinarayana M., Bothe E., Schulte-Frohlinde D. Int. J. Radiat. Biol. 1988, 54:723.
15. Catherall H., Davies M.J., Gilbert B.C. J. Chem. Soc., Perkins Trans. 1992, 2:1379.
16. Sigman D.S., Mazumdar A., Perrin D.M. Chem. Rev. 1993, 93:2295.
17. Adhikary A., Collins S., Koppen J., Becker D., Sevilla M.D. Nucleic Acid Res. 2006, 34:1501.
18. Dixon W.J., Hayes J.J., Levin J.R., Weidner M.F., Dombroski B.A., Tullius T.D. Methods Enzymol. 1992, 208:380.
19. Saymons M.C.R. J. Chem. Soc. Faraday Trans I 1987, 83:1.
20. von Sonntag C. The Chemical Basis of Radiation Biology 1987, Taylor and Francis, London, New York, Philadelphia.
21. Sies H. Angew. Chem., Int. Ed. Engl. 1986, 25:1058.
22. Nicolaou K.C., Dai W.M. Angew. Chem., Int. Ed. Engl. 1991, 30:1387.
23. Box H.C., Dawidzik J.B., Budzinski E.E. Free Radicals Biol. Med. 2001, 31:856.
24. Gimisis T., Ialongo G., Chatgilialoglu C. Tetrahedron 1998, 54:573.
25. Crich D., Yao Q.W. Tetrahedron 1998, 54:305.
26. Giese B., Dussy A., Meggers E., Petretta M., Schwitter U. J. Am. Chem. Soc. 1997, 119:11130.
27. Dizdaroglu M., Gajewski E., Reddy P., Margolis S.A. Biochemistry 1989, 28:3625.
28. Olinski R., Briggs R.C., Hnilica L.S., Stein J., Stein G. Radiat. Res. 1981, 86:102.
29. Gajewski E., Dizdaroglu M. Biochemistry 1990, 29:977.
30. Boon P.J., O'Connell A., Podmore I.D., Symons M.C.R. J. Chem. Soc., Perkin Trans. 1993, 2:2061.
31. Barvian M.R., Barkley R.M. J. Am. Chem. Soc. 1995, 117:4894.
32. Barvian M.R., Greenberg M.M. J. Org. Chem. 1993, 58:6151.
33. Barvian M.R., Greenberg M.M. J. Org. Chem. 1995, 60:916.
34. Sarma R., Medhi L.C. J. Mol. Struct. (THEOCHEM) 2006, 763:51.
35. Spartan '06V102'. Wavefunction, Inc.; Irvine, CA.
36. Becke A.D. J. Chem. Phys. 1993, 98:5648.
37. Lee C., Yang W., Parr R.G. Phys. Rev. B 1988, 37:785.
38. Reed A.E., Weinstock R.B., Weinhold F. J. Chem. Phys. 1985, 83:735.
39. Reed A.E., Weinhold F. J. Chem. Phys. 1985, 83:1736.
40. Reed A.E., Curtiss L.A., Weinhold F. Chem. Rev. 1988, 88:899.
41. Reed A.E., Schleyer P.R. J. Am. Chem. Soc. 1990, 112:1434.
42. Tomasi J., Persico M. Chem. Rev. 1994, 94:2027.
43. Bader R.F. Atoms in Molecules. A Quantum Theory 1990, Clarendon, Oxford, UK.
44. Bader R.F.W. J. Phys. Chem. A 1998, 102:7314.
45. Pakiari A.H., Eskandari K. J. Mol. Struct. (Theochem) 2006, 759:51.
46. Abboud J.-L.M., Mó O., de Paz J.L.G., Yáñez M., Esseffar M., Bouab W., El-Mouhtadi M., Mokhlisse R., Ballesteros E., Herreros M., Homan H., Lopez-Mardomingo C., Notario R. J. Am. Chem. Soc. 1993, 115:12468.
47. Rozas I., Alkorta I., Elguero J. J. Am. Chem. Soc. 2000, 122:11154.
48. R.F.W. Bader, AIM2000 program package, Ver. 2.0, McMaster University, Hamilton, Ontario, Canada, 2002.
49. Altona C., Sundaralingam M. J. Am. Chem. Soc. 1972, 94:8205.
50. Saenger W. Principles of Nucleic Acid Structure 1984, Springer-Verlag, New York.
51. Shukla L., Pazdro R., Huang J., DeVreugd C., Becker D., Sevilla M.D. Radiat. Res. 2004, 161:582.
52. Louit G., Hocquet A., Ghomi M. Phys. Chem. Chem. Phys. 2002, 4:3843.
53. A Zhikol O., Shishkin O.V., Lyssenko K.A., Leszczynski J. J. Chem. Phys. 2005, 122:144104.
54. Koch U., Popelier P.L.A. J. Phys. Chem. 1995, 99:9747.
55. Popelier P.L.A. J. Phys. Chem. A 1998, 102:1873.
56. Zefirov Yu., Zorky P.M. Uspekhi Khimii (Russ. Chem. Rev.) 1989, 58:713.
57. Steiner T. Angew. Chem., Int. Ed. 2002, 41:48.