Adenine-Au and adenine-uracil-Au. Non-conventional hydrogen bonds of the anions and donator-acceptor properties of the neutrals

Journal of Molecular Structure: THEOCHEM

Volumn 939, Issue 1-3, 2010, Pages 34-43

  Valdespino Saenz, Job ^a   Martínez, Ana ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Antioxidants; Antiradicals; DFT; DNA basis; Electron transfer; Non conventional hydrogen bonds

Indexed keywords

EID: 72149086686     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.09.038     Document Type: Article

References (66)

1. In: Sigel A., and Sigel H. (Eds). Metal Ions in Biological Systems: Interactions of Metal Ions with Nucleotides, Nucleic Acids and Their Constituents Vol. 32 (1996), Marcel Dekker, New York
2. Al-Jihad I., Smets J., and Ludwik A. J. Phys. Chem. A. 104 (2000) 2994
3. Watson J.D., and Crick F.H.C. Nature 171 (1953) 737
4. Pichjerra F., Hotheinrich D., Zangrando E., Lipperte B., and Ranacciao L. J. Biol. Inorg. Chem. 1 (1996) 319
5. Topal M.D., and Fresco J.R. Nature 263 (1976) 285
6. Muller J., Sigel R.K.O., and Lippert B. J. Inorg. Biochem. 79 (2000) 261
7. Berlin Y.A., Burin A.L., and Ratner M.A. Superlattices Microstruct. 28 (2000) 241
8. Murphy C.J., Arkin M.R., Jenkins Y., Ghatlia N.D., Bossmann S.H., Turro N.J., and Barton J.K. Science 262 (1993) 1025
9. Sponer J., Sponer J.E., Gorb L., Leszczynski J., and Lippert B. J. Phys. Chem. A 103 (1999) 11406
10. Sponer J., Sabat M., Gorb L., Leszczynski J., Lippert B., and Hobza P. J. Phys. Chem. B 104 (2000) 7535
11. Pedersen D., Simard B., Martínez A., and Moussatova A. J. Phys. Chem. A 107 (2003) 6464
12. Rodgers M.T., and Armentrout P. J. Am. Chem. Soc. 122 (2000) 8548
13. Russo N., Toscano M., Grand A., Sponer J., and Hobza P. J. Am. Chem. Soc. 123 (2001) 10272
14. Lippert B. Coord. Chem. Rev. 200-202 (2000) 487
15. A. Martínez, J. Chem. Phys.123 (2005) 024311(9 p).
16. Kornilova S.V., Miskovsky P., Tomkova A., Kapinos L.E., Hackl E.V., Andrushchenko V.V., Grigoriev D.N., and Blagoi Y.P. J. Mol. Struct. 408 /409 (1997) 219
17. Russo N., Toscano M., and Grand A. J. Mass Spectrom. 38 (2003) 265
18. Bal W., and Kasprzak K.S. Tox. Lett. 127 (2002) 55
19. Burda J.V., Sponer J., and Hobza P. J. Phys. Chem. 100 (1996) 7250
20. Cerda B.A., and Wesdemiotis C. J. Am. Chem. Soc. 118 (1996) 11884
21. Rodgers M.T., and Armentrout P. J. Am. Chem. Soc. 124 (2002) 2678
22. Yang Z., and Rodgers M.T. J. Phys. Chem. A 110 (2006) 1455
23. Zhu W., Luo X., Puah C.M., Tan X., Shen J., Gu J., Chen K., and Jiang H. J. Phys. Chem. A 108 (2004) 4008
24. Hendricks J.H., Lyapustina S.A., de Clercq H.L., and Bowen Jr. K.H. J. Chem. Phys. 104 (1996) 7788
25. Kryachko E.S., and Remacle F. Nano Lett. 5 (2005) 735
26. Kryachko E.S., and Remacle F. J. Chem. Phys. 127 (2007) 194305
27. Kryachko E.S., and Remacle F. Chem. Phys. Lett. 404 (2005) 142
28. Kryachko E.S. J. Mol. Struct. 880 (2008) 23
29. Kryachko E.S., Karpfen A., and Remacle F. J. Phys. Chem. A 109 (2005) 7309
30. Kryachko E.S., and Remacle F. J. Phys. Chem. B 109 (2005) 22746
31. Sharma P., Singh H., Sharma S., and Singh H. J. Chem. Theory Comp. 3 (2007) 2301
32. Dabkowska I., Rak J., Gutowski M., Nilles J.M., Stokes S.T., and Bowen Jr. K.H. J. Chem. Phys. 120 (2004) 6064
33. Vázquez M.V., and Martínez A. J. Phys. Chem. A 111 (2007) 9931
34. Vázquez M.V., and Martínez A. J. Phys. Chem. A 112 (2008) 1033
35. Valdespino-Saenz J., and Martínez A. J. Phys. Chem. A 112 (2008) 2408
36. Martínez A., Dolgounitcheva O., Zakrzewski V.G., and Ortiz J.V. J. Phys. Chem. A 112 (2008) 10399
37. Martínez A. J. Phys. Chem. A 113 (2009) 1134
38. Kumar A., Mishra P.C., and Suhai S. J. Phys. Chem. A 110 (2006) 7719
39. Wiseman H., and Halliwell B. Biochem. J. 313 (1996) 17
40. Sanche L. Mass Spectrom. Rev. 21 (2002) 249
41. Boudaïffa B., Cloutier P., Hunting D., Huels M.A., and Sanche L. Science 287 (2000) 1658
42. Martínez A., Rodríguez-Gironés M.A., Barbosa A., and Costas M. J. Phys. Chem. A 112 (2008) 9037
43. Martínez A. J. Phys. Chem. B 113 (2009) 4915
44. Kohn W., Becke A.D., and Parr R.G. J. Phys. Chem. 100 (1996) 12974
45. Hohenberg P., and Kohn W. Phys. Rev. 136 (1964) B864
46. Kohn W., and Sham L. J. Phys. Rev. 140 (1965) A1133
47. Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Montgomery Jr. J.A., Vreven T., Kudin K.N., Burant J.C., Millam J.M., Iyengar S.S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G.A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J.E., Hratchian H.P., Cross J.B., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Ayala P.Y., Morokuma K., Voth G.A., Salvador P., Dannenberg J.J., Zakrzewski V.G., Dapprich S., Daniels A.D., Strain M.C., Farkas O., Malick D.K., Rabuck A.D., Raghavachari K., Foresman J.B., Ortiz J.V., Cui Q., Baboul A.G., Clifford S., Cioslowski J., Stefanov B.B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R.L., Fox D.J., Keith T., Al-Laham M.A., Peng C.Y., Nanayakkara A., Challacombe M., Gill P.M.W., Johnson B., Chen W., Wong M.W., Gonzalez C., and Pople J.A. Gaussian 03, Revision B.05 (2003), Gaussian, Inc., Pittsburgh PA
48. Becke A.D. Phys. Rev. A 38 (1988) 3098
49. Mielich B., Savin A., Stoll H., and Peuss H. Chem. Phys. Lett. 157 (1989) 200
50. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
51. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 270
52. Hay P.J., and Wadt W.R. J. Chem. Phys. 82 (1985) 299
53. Wadt W.R. J. Chem. Phys. 82 (1985) 284
54. (a) R. Krishnan, J.S. Binkley, R. Seeger, J. A. Pople, J. Chem. Phys. 72 (1980) 650; (b) J.-P. Blaudeau, M. P. McGrath, L.A. Curtiss, L. Radom, J. Chem. Phys. 107 (1997) 5016.
55. Shishkin O.V., Gorb L., Luzanov A.V., Elstner M., Suhai S., and Leszczynski J. J. Mol. Struct. (Theochem) 625 (2003) 295
56. Møller C., and Plesset M.S. Phys. Rev. 46 (1934) 1618
57. Saebo S., and Almlof J. J. Chem. Phys. Lett. 154 (1989) 83
58. de Oliveira A.E., Guadagnini P.H., Haiduke R.L.A., and Bruns R.E. J. Phys. Chem. A 103 (1999) 4918
59. P. Flükiger, H.P. Lüthi, S. Portmann, J. Weber, MOLEKEL, 4.3 ed., Swiss Center for Scientific Computing, Manno, Switzerland, 2000-2002.
60. Portmann S., and Lüthi H.P. Chimia 54 (2000) 776
61. N. Müller, A. Falk, Ball & Stick code, 3.75 ed., Johannes Kepler University, Linz, 2000.
62. Gázquez J.L., Cedillo A., and Vela A. J. Phys. Chem. A 111 (2007) 1966
63. Orlov V.M., Smirnov A.M., and Varshavsky Y.M. Tetrahedron Lett. 48 (1976) 4377
64. C.T. Hwang, C.L. Stumpt, Y.Q. Yu, H.I. Keuttämaa, Int. J. Mass Spect. 182/183 (1999) 253.
65. Desgrançois C., Abdoul-Carime H., and Schermann J.P. J. Chem. Phys. 104 (1996) 7792
66. Roy A., Panigrahi S., Bhattacharyya M., and Bhattacharyya D. J. Phys. Chem. B 112 (2008) 3786