6. References and Footnotes:

1 In part presented at the 29. MHTCC, Indianapolis, IN, May 30, 1996.

2 e-mail address: wiest.1@nd.edu

3 For recent reviews on the relationship between UV inflicted DNA-damage and skin cancer see e.g.: a) Taylor, J.-S. Pure & Appl. Chem. 1995, 67, 183 b) Taylor, J.-S. Acc. Chem. Res. 1994, 27, 76.

4 a) Park, H.-W.; Kim, S.-T.; Sancar, A.; Deisenhofer, J. Science 1995, 268, 1866 b) Park, H.-W.;Sancar, A.; Deisenhofer, J. J. Mol. Biol. 1993, 231, 1122.

5 X-ray cristallographic data have also been obtained for DNA photolyase from Anacystis nidulans, a member of the deazaflavine class: Miki, K.; Tamada, T.; Nishida, H.; Inaka, K.; Yasui, A.; deRuiter, P. E.; Eker, A. P. M. J. Mol. Biol. 1993, 233, 167. The three dimensional structure of this enzyme has, however, not yet been published.

6 For recent overviews compare e.g.: a) Sancar, A.; Sancar, G. B. Ann. Rev. Biochem. 1988, 52, 29 b) Sancar, A. Biochemistry 1994, 33, 2 c) Sancar, A. In: Advances in Electron Transfer Chemistry Vol.2 Mariano, P. S., Ed.; JAI Press: New York 1992 pp.215 d) P Heelis, P. F.; Hartman, R. F.; Rose, S. D. Chem. Soc. Rev. 1995, 24, 289.

7 Begley, T. B. Acc. Chem. Res. 1994, 27, 394 and references cited therein.

8 a) Voityuk. A. A.; Michel-Beyerle, M. E.; Rösch, N. J. Am. Chem. Soc. 1996, 118, 9750 b) Heelis, P. F. J. Mol. Mod. 1995, 1, 18.

9 a) Wiest, O. J. Mol. Struct (THEOCHEM) 1996, 368 , 39 b) Wiest, O. submitted for publication.

10 a) Engels, B.; Erikson, L. A.; Lunell, S. Adv. Quant. Chem. 1996, 27, 297. b) Lim, M. H.; Worthington, S. E.; Dulles, F. J.; Cramer, C. J. In: Chemical Applications of Density-Functional Theory Laird, B. B.; Rodd, R. B.; Ziegler, T.; Eds.; ACS Symposium Series 629; American Chemical Society: Washington, D. C.; pp. 402. c) Batra, R.; Giese, B.; Spichty, M.; Gescheidt, G.; Houk, K. N. J. Phys. Chem. 1996, 100, 18371.

11 Gaussian 94, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.

12 Spartan 4.0: Wavefunction Inc. Irvine, California

13 RasMol v.2.5 for Powermac: Glaxo Research and Development, Greenford, Middlesex, UK

14 For an overview, compare: Cadet, J.; Vigny, P. In: Bioorganic Photochemistry Vol. 1. Morrison, H.; Ed. Wiley: New York 1990, p58.

15 Aida, M.; Kaneko, M, Dupuis, M. Intl .J. Quant.Chem. 1996, 57, 949

16 Adman, E.; Jensen, L. H. Act. Cryst. B1970, 26 , 1326.

17 A full discussion of reaction energetics and the geometric and electronic structure of the species involved in the radical cationic and radical anionic pathway will be published elsewhere.

18 a) Ge, Y.; Lilienthal, R. R.; Smith, D. K. J. Am. Chem. Soc. 1996, 118, 3976 b) Breinlinger, E. W.; Niemz, A.; Rotello, V. M. J. Am. Chem. Soc. 1995, 117 , 5379.

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