DFT investigation of dehalogenation of adenine-halouracil base pairs upon low-energy electron attachment

Journal of the American Chemical Society

Volumn 125, Issue 29, 2003, Pages 8916-8920

  Li, Xifeng ^a   Sevilla, Michael D ^b   Sanche, Léon ^a  

^a UNIVERSITÉ DE SHERBROOKE   (Canada)

^b OAKLAND UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEHALOGENATION; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION;

ACTIVATION BARRIERS;

DNA;

ADENINE; CYTOSINE; DOUBLE STRANDED DNA; GUANINE; HALIDE; HALOGEN; SINGLE STRANDED DNA; URACIL;

ARTICLE; BASE PAIRING; CHEMICAL BINDING; CHEMICAL STRUCTURE; DEHALOGENATION; DENSITY; ELECTRON; ENERGY; ENERGY TRANSFER; GAS; HALOGENATION; MOLECULAR STABILITY; RADIOSENSITIZATION; REDUCTION;

ADENINE; BASE PAIRING; DNA; DNA, SINGLE-STRANDED; HYDROCARBONS, HALOGENATED; MODELS, MOLECULAR; THERMODYNAMICS; URACIL;

EID: 0037622573     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja034286u     Document Type: Article

References (25)

1. Sanche, L. Scanning Microsc. 1995, 9, 619.
2. Boudaiffa, B.; Cloutier, P.; Hunting, D.; Huels, M. A.; Sanche, L. Science 2000, 287, 1658.
3. Boudaiffa, B.; Cloutier, P.; Hunting, D.; Huels, M. A.; Sanche, L. Radiat. Res. 2002, 157, 227-234.
4. Zamenhof, S.; DeGiovanni, R.; Greer, S. Nature 1959, 181, 827.
5. Lawrence, T. S.; Davis, M. A.; Maybaum, J.; Stetson, P. L.; Ensminger, W. D. Radiat. Res. 1990, 123, 192.
6. Buchholz, D. J.; Lepek, K. J.; Rich, T. A.; Murray, D. Int. J. Radiat. Oncol. 1995, 32, 1053.
7. Abdoul-Carime, H.; Huels, M. A.; Illenberger, E.; Sanche, L. J. Am. Chem. Soc. 2001, 123, 5354.
8. Li, X.; Sanche, L.; Sevilla, M. D. J. Phys. Chem. A 2002, 106, 11248-11253.
9. Rivera, E.; Schuler, R. H. J. Phys. Chem. 1983, 87, 3966-3971.
10. Wetmore, S. D.; Boyd, R. J.; Eriksson, L. A. Chem. Phys. Lett. 2001, 343, 151-158.
11. Sommerfeld, T. ChemPhysChem 2001, 2, 677-679.
12. Razskazovskii, Y.; Swarts, S. G.; Falcone, J. M.; Taylor, C.; Sevilla, M. D. J. Phys. Chem. B 1997, 101, 1460-1467.
13. Klyachko, D. V.; Huels, M. A.; Sanche, L. Radiat. Res, 1999, 151, 177-187.
14. Sevilla, M. D.; Failor, R.; Zorman, G. J. Phys. Chem. 1974, 78, 696.
15. Simpson L. D.; Zimbrick, J. D. Int. J. Radiat. Biol. 1975, 28, 461.
16. Dugal, P.-C.; Abdoul-Carime, H.; Sanche, L. J. Phys. Chem. B 2000, 104, 5610.
17. Abdoul-Carime, H.; Huels, M. A.; Bruning, F.; Illenberger, E.; Sanche, L. J. Chem. Phys. 2000, 113, 2517.
18. Abdoul-Carime. H.; Dugal, P.-C.; Sanche, L. Radiat. Res. 2000, 153, 23.
19. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb. M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck. A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.; Pittsburgh, PA, 1998.
20. Rienstra-Kiracofe, J. C.; Tschumper, G. S.; Schaefer, H. F., III. Chem. Rev. 2002, 102, 231-282.
21. Richardson, N. A.; Wesolowski, S. S.; Schaefer, H. F., III. J. Phys. Chem. B 2003, 107, ASAP article.
22. Li, X.; Cai, Z.; Sevilla, M. D. J. Phys. Chem. A 2002, 106, 1596-1603.
23. Foresman, J. B.; Keith, T. A.; Wiberg, K. B.; Snoonian, J.; Frisch, M. J. J. Phys. Chem. 1996, 100, 16098.
24. Li, X.; Cai, Z.; Sevilla, M. D. J. Phys. Chem. A 2002, 106, 9345-9351.
25. Colson, A. O.; Besler, B.; Sevilla, M. D. J. Phys. Chem. 1992, 96, 9787-9794.