Reverse Watson-Crick isocytosine-cytosine and guanine-cytosine base pairs stabilized by the formation of the minor tautomers of bases. An ab initio study in the gas phase and in a water cluster

Journal of Physical Chemistry A

Volumn 102, Issue 50, 1998, Pages 10374-10379

  Zhanpeisov, Nurbosyn U ^a,b   Šponer, Jiří ^a,c   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001063056     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9827126     Document Type: Article

References (48)

1. Hobza, P.; Sandorfy, C. J. Am. Chem. Soc. 1987, 109, 1302.
2. Kwiatkowski, J. S.; Person, W. B. In Theoretical Biochemistry and Molecular Biophysics; Beveridge, D. L., Lavery, R., Eds.; Adenine Press: Guiderland, 1990; Vol. 1, p 153.
3. Lowdin, P.-O. Rev. Mod. Phys. 1963, 35, 724
4. (b) Kong, Y. S.; Jhon, M. S.; Lowdin, P.-O. Int. J. Quantum Chem. 1987, 14, 189
5. (c) Scheiner, S.; Kern, C. W. J. Am. Chem. Soc. 1979, 101, 4081
6. (d) Florian, J.; Hrouda, V.; Hobza, P. J. Am. Chem. Soc. 1994, 116, 1457
7. (e) Florian, J.; Leszczynski, J. J. Am. Chem. Soc. 1996, 118, 3010.
8. Colominas, C.; Lugue, F. J.; Orozco, M. J. Am. Chem. Soc. 1996, 118, 6811
9. (b) Sponer, J.; Burda, J. V.; Mejzlik, P.; Leszczynski, J., Hobza, P. J. Biomol. Struct. Dyn. 1997, 14, 613
10. (c) Soliva, R.; Laughton, C.; Luque, F. J.; Orozco, M. J. Am. Chem. Soc. 1998. In press.
11. Gehring, K.; Leroy, J.-J.; Gueron, M. Nature 1993, 363, 561
12. (b) Berger, I.; Egli, M.; Rich, A. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 12116.
13. Sponer, J.; Leszczynski, J.; Vetterl, V.; Hobza, P. J. Biomol. Struct. Dyn. 1996, 13, 695
14. (b) Sponer, J.; Leszczynski, J.; Hobza, P. J. Biomol. Struct. Dyn. 1996, 14, 117
15. (c) Spackova, N.; Berger, I.; Egli, M.; Sponer, J. J. Am. Chem. Soc. 1998, 120, 6147.
16. Lippert, B. J. Chem. Soc., Dalton Trans. 1997, 3971
17. (b) Zamora, F.; Kunsman, M.; Sabat, M.; Lippert, B. Inorg. Chem. 1997, 36, 1583 and references therein.
18. Pattabiraman, N. Biopolymers 1986, 25, 1603
19. (b) van de Sande, J. H.; Ramsing, N. B.; Germann, M. W.; Elhorst, W.; Kalisch, B. W.; Kilzing, E.; Pon, T. R.; Clegg, R. C.; Jovin, T. M. Science 1988, 241, 551
20. (c) Rippe, K.; Ramsing, N. B.; Klement, R.; Jovin, T. M. J. Biomol. Struct. Dyn. 1990, 7, 1199
21. (d) Rentzeperis, D.; Rippe, K.; Jovin, T. M.; Marky, L. A. J. Am. Chem. Soc. 1992, 114, 5926
22. (e) Shchyolkina, A. K.; Borisova, O. F.; Chernov, B. K.; Tchurikov, N. A. J. Biomol. Struct. Dyn. 1994, 11, 1237.
23. Sponer, J.; Hobza, P. J. Biomol. Struct. Dyn. 1994, 12, 671.
24. (b) Sponer, J.; Hobza, P. Int. J. Quantum Chem. 1996, 57, 959.
25. (a) Sponer, J.; Hobza, P. J. Phys. Chem. 1994, 98, 3161.
26. (b) Luisi, B.; Orozco, M.; Sponer, J.; Luque, F. J.; Shakked, Z. J. Mol. Biol. 1998, 279, 1123.
27. Zhanpeisov, N. U.; Leszczynski, J. Int. J. Quantum Chem. 1998, 69, 37.
28. Zhanpeisov, N. U.; Leszczynski, J. J. Phys. Chem. A. 1998, 102, In press.
29. Zhanpeisov, N. U.; Leszczynski, J. Phys. Chem. A. 1998, 102, 6167.
30. Frisch, M. J.; Tracks, G. W.; Head-Gordon, M.; Gill, P. M. V.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Rob, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzales, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN92; Gaussian Inc.; Pittsburgh, PA, 1992.
31. (b) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y., Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Revision D.3, Gaussian, Inc.: Pittsburgh, PA, 1995.
32. (a) Saenger, W. Principles of Nucleic Acid Structure; Springer-Verlag: New York, 1983.
33. (b) Westhof, E., In: Water and Biological Macromolecules, Westhof, E., Ed.; CRC Press: Boca Raton, FL, 1992; p 226.
34. (c) Schneider, B.; Berman, H. M. Biophys. J. 1995, 69, 2661.
35. Miller, J. L.; Kollman, P. A. J. Phys. Chem. 1996, 100, 8587
36. (b) Luque, F. J.; Lopez-Bes, J. M.; Cemeli, J.; Aroztequi, M.; Orozco, M. Theor. Chem. Acc. 1997, 96, 105.
37. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
38. (b) Urban, M.; Hobza, P. Theor. Chim. Acta 1975, 36, 215.
39. (c) Mayer, I.; Surjan, P. R. Chem. Phys. Lett. 1992, 191, 497.
40. (d) Scheiner, S. Hydrogen Bonding: A Theoretical Perspective, Oxford University Press: 1997.
41. Hobza, P.; Zahradnik, R. Intermolecular Complexes. The role of van der Waals Systems in Physical Chemistry and in the Biodisciplines. Elsevier: Amsterdam, 1988.
42. Garcia-Viloca, M.; Gonzalez Lafont, A.; Lluch, J. M. J. Am. Chem. Soc. 1997, 119, 1081.
43. Florian, J.; Leszczynski, J.; Scheiner, S. Mol. Phys. 1995, 84, 469.
44. (a) Jensen, J. H.; Gordon, M. S. J. Am. Chem. Soc. 1995, 117, 8159
45. (b) Rein, R., Harris, F. E. J. Chem. Phys. 1964, 41, 3393.
46. 24
47. Sponer, J.; Leszczynski, J., Hobza, P. J. Phys. Chem. 1996, 100, 1965.
48. Sponer, J.; Hobza, P. Chem. Phys. 1996, 204, 365.