Ab initio molecular orbital study of the structures of purine hydrates

Journal of Physical Chemistry

Volumn 100, Issue 11, 1996, Pages 4420-4423

  Colson, Anny Odile ^a   Sevilla, Michael D ^a  

^a OAKLAND UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DNA; ISOMERIZATION; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; RADIATION DAMAGE;

AB INITIO MOLECULAR ORBITAL STUDY; BUTTERFLY CONFORMATION; ISOMERS; PURINE HYDRATES;

ORGANIC COMPOUNDS;

EID: 0030092030     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953032v     Document Type: Article

References (33)

1. Sevilla, M. D.; Becker, D. R. Soc. Chem. Spec. Period. Rep., Electron Spin Reson. 1994, 14, 130-165.
2. Becker, D.; Sevilla, M. D. Adv. Radiât. Biol, 1993, 17, 121-180.
3. von Sonntag, C. The Chemical Basis of Radiation Biology; Taylor and Francis: London, 1987.
4. Steenken, S. Chan. Rev. 1989, 89, 503.
5. Steenken, S. Free Radical Res. Commun. 1992, 16, 349.
6. O'Neill, P.; Fielden, E. M. Adv. Radiât. Biol. 1993, 17, 53-120.
7. Kuwabara, M. Radiât. Phys. Chem. 1991, 37, 691.
8. Vieira, A. J. S. C.; Steenken, S. J. Am. Chem. Soc. 1987, 709,7441.
9. O'Neill, P. Radiât. Res. 1983, 96, 198.
10. Steenken, S. J. Chem. Soc., Faraday Trans, l 1987, 83, 113.
11. Colson, A. O.; Sevilla, M. D. J. Phys. Chem. 1995, 99, 13033.
12. Fielden, E. M.; O'Neill, P.; Steenken, S. In The Early Effects of Radiation on DNA; NATO ASI Séries H; Fielden, E. M., O'Neill, P., Eds.; Springer Verlag: Berlin, 1991.
13. Fisher, G. J.; Johns, H. E. Photochem. Photobiol. 1973, 18, 23.
14. Boorstein, R. J.; Cadet, J.; Hubert, T.; Lustig, M.; O'Donnell, R.; Zuo, S.; Teebor, G. J. Chim. Phys. 1993, 90, 837.
15. Boorstein, R. J.; Hubert, T. P.; Cadet, J.; Cunningham, R. P.; Teebor, G. W. Biochemistry 1989, 28, 6164.
16. Boorstein, R. J.; Hubert, T, P.; Cunningham, R. P.; Teebor, G. W. Biochemistry 1990, 29, 10455.
17. Ganguly, T.; Weems, K. M.; Düker, N. J. Biochemistry 1990, 29, 7222.
18. Ganguly, T.; Düker, N. J. Nucleic Acids Res. 1991, 19, 3319.
19. Vieira, A. J. S. C.; Steenken, S. J. Am. Chem. Soc. 1990,112,6986.
20. Cadet, J.; Berger, M.; Buchko, G. W.; Joshi, P. C.; Morin, B.; Raoul, S.; Ravanat, J. L. In Radiation Damage in DNA, Structure/Function Relationships at Early Times; Fuciarelli, A. F., Zimbrick, J. D., Eds.; Battelle Press: Columbus OH, 1995.
21. (21 ) Hankiewicz, E.; Bothe, E.; Schulte-Frohlinde, D. Free Radical Res. Commun. 1992, 16, 391.
22. Miaskiewicz, K.; Miller, J.; Osman, R. Biochim. Biophys. Acta 1994, 1218, 283.
23. Colson, A. O.; Sevilla, M. D. Int. J. Radiât. Biol. 1995, 67, 627.
24. Hariharan, P. C.; Pople, J. A. Chem. Phys. Lett. 1972, 16, 217.
25. Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209.
26. Stewart, J. J. P. J. Comput. Chem. 1990, 11, 543.
27. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; DeFrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSS1AN 92, Revision B, C; Gaussian, Inc.: Pittsburgh, PA, 1992.
28. Levine, I. N. Quantum Chemistry; Prentice Hall: Englewood Cliffs, NJ, 1991.
29. Sponer, J. and Hobza, P. J. Phys. Chem. 1994, 98, 3161.
30. Hrouda, V.; Florian, J.; Hobza, P. J. Phys. Chem. 1993, 97, 1542.
31. Sponer, J.; Hobza, P. J. Mol. Struct. (THEOCHEM) 1994, 304, 35.
32. Riggs, N. V. Chem. Phys. Lett. 1991, 777, 447.
33. Miaskiewicz, K.; Miller, J.; Osman, R. Int. J. Radiât. Biol. 1993, 63, 677.