An ab initio MO study on fragmentation reaction mechanism of thymine dimer radical cation

Journal of the American Chemical Society

Volumn 119, Issue 50, 1997, Pages 12274-12279

  Aida, Misako ^a   Inoue, Fukiko ^a   Kaneko, Motohisa ^a   Dupuis, Michel ^b,c  

^a NATIONAL CANCER CENTER RESEARCH INSTITUTE   (Japan)

^b IBM   (United States)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATION; DIMER; DNA FRAGMENT; RADICAL; THYMINE;

ARTICLE; CALCULATION; DNA STRUCTURE; REACTION ANALYSIS;

EID: 0031576657     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja970184q     Document Type: Article

References (24)

1. Sancar, G. B. Mutat. Res. 1990, 236, 147-160.
2. Sutherland, B. M.; Bennett, P. V. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 9732-9736.
3. Park, H.-W.; Kim, S.-T.; Sancar, A.; Deisenhofer, J. Science 1995, 268, 1866-1872.
4. Sancar, A. Biochemistry 1994, 33, 2-9.
5. Okamura, T.; Sancar, A.; Heelis, P. F.; Begley, T. P.; Hirata, Y.; Mataga, N. J. Am. Chem. Soc. 1991, 113, 3143-3145.
6. Kim, S.-T.; Sancar, A.; Essenmacher, C; Babcock, G. T. J. Am. Chem. Soc. 1992, 114, 4442-4443.
7. Pouwels, P. J. W.; Kaptein, R. Appl. Magn. Reson. 1994, 7, 107-113.
8. Heelis, P. F.; Hartman, R. F.; Rose, S. D. Chem. Soc. Rev. 1995, 24, 289-297.
9. Scannell, M. P.; Fenick, D. J.; Yeh, S.-R.; Falvey, D. E. J. Am. Chem. Soc. 1997, 119, 1971-1977.
10. Dandliker, P. J.; Holmlin, R. E.; Barton, J. K. Science 1997, 275, 1465-1468.
11. Lamola, A. A. Mol. Photochem. 1972, 4, 107-133.
12. Burdi, D.; Begley, T. P. J. Am. Chem. Soc. 1991, 113, 7768-7770.
13. Diogo, H. P.; Dias, A. R.; Dhalla, A.; Minas da Piedade, M. E.; Begley T. P. J. Org. Chem. 1991, 56, 7340-7341.
14. McMordie, R. A. S.; Begley, T. P. J. Am. Chem. Soc. 1992, 114, 1886-1887.
15. Woodward, R. B.; Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1969, 8, 781-853.
16. Pabon, R. A.; Bauld, N. L. J. Am. Chem. Soc. 1984, 106, 1145-1146.
17. Jungwirth, P.; Bally T. J. Am. Chem. Soc. 1993, 115, 5783-5789.
18. Bernardi, F.; Bottoni, A.; Robb, M. A.; Schlegel, H. B.; Tonachini, G. J. Am. Chem. Soc. 1985, 107, 2260-2264.
19. Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257-2261.
20. Dupuis, M.; Marquez, A.; Davidson, E. R. HONDO 95.3 from CHEM-Station; IBM Corporation: Kingston, NY, 1995.
21. Aida, M.; Kaneko, M.; Dupuis, M. Int. J. Quantum Chem. 1996, 57, 949-957.
22. Leonard, G. A.; Booth, E. D.; Hunter, W. N.; Brown, T. Nucleic Acids Res. 1992, 20, 4753-4759.
23. Voityuk, A. A.; Michel-Beyerle, M.-E.; Rösch, N. J. Am. Chem. Soc. 1996, 118, 9750-9758.
24. Jungwirth, P.; Carsky, P.; Bally T. J. Am. Chem. Soc. 1993, 115, 5776-5782.