Energetics, dynamics and infrared spectra of the DNA base-pair analogue 2-pyridone · 2-hydroxypyridine

Physical Chemistry Chemical Physics

Volumn 5, Issue 12, 2003, Pages 2663-2672

  Meuwly, Markus ^a,b   Müller, Andreas ^c   Leutwyler, Samuel ^c  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b UNIVERSITY OF BASEL   (Switzerland)

^c UNIVERSITY OF BERN   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

2 PYRIDONE DERIVATIVE; PYRIDINOL;

ARTICLE; BASE PAIRING; DIPOLE; ENERGY TRANSFER; HYDROGEN BOND; INFRARED RADIATION; MOLECULAR DYNAMICS; PROTON TRANSPORT; QUANTUM CHEMISTRY; SPECTROSCOPY;

EID: 0037804145     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b212732f     Document Type: Article

References (39)

1. L. Stryer, Biochemistry, W. H. Freeman and Co., New York, 4th edn., 1995.
2. G. A. Jeffrey and W. Saenger, Hydrogen Bonding in Biological Structures, Springer, Berlin, 1991.
3. C. A. Taylor, M. A. El-Bayoumi and M. Kasha, Phys. Chem. Chem. Phys., 1969, 63, 253.
4. K. C. Ingham and M. A. El-Bayoumi, J. Am. Chem. Soc., 1974, 96, 1.
5. D. Voet and J. G. Voet, Biochemistry, J. Wiley, New York, 1995.
6. E. Nir, K. Kleinermanns, L. Grace and M. S. de Vries, J. Phys. Chem. A, 2001, 105, 5106.
7. J. Sepiol, Z. Casimierczuk and D. Shugar, Z. Naturforsch., 1976, C31, 361.
8. R. Stolarski, M. Remin and D. Shugar, Z. Naturforsch., 1977, C32, 894.
9. C. Y. Switzer, S. E. Moroney and S. A. Benner, Biochemistry, 1993, 32, 10489.
10. J. J. Voegel and S. A. Benner, Helv. Chim. Acta, 1996, 79, 1881.
11. A. Müller, F. Talbot and S. Leutwyler, J. Chem. Phys., 2001, 115, 5192.
12. D. R. Borst, J. R. Roscioli, D. W. Pratt, G. M. Florio, T. S. Zwier, A. Müller and S. Leutwyler, Chem. Phys., 2002, 283, 341.
13. Y. Matsuda, T. Ebata and N. Mikami, J. Chem. Phys., 1998, 110, 8397.
14. W. H. Miller, N. C. Handy and J. E. Adams, J. Chem. Phys., 1980, 72, 99.
15. Jr. T. Carrington and W. H. Miller, J. Chem. Phys., 1984, 81, 3942.
16. N. Shida, P. F. Barbara and J. Almlöf, J. Chem. Phys., 1991, 94, 3633.
17. N. Shida, P. F. Barbara and J. Almlöf, J. Phys. Chem., 1991, 95, 10457.
18. M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai and G. Seifert, Phys. Rev. B, 1998, 58, 7260.
19. Q. Cui, M. Elstner, E. Kaxiras, Th. Frauenheim and M. Karplus, J. Phys. Chem. B, 2001, 105, 569.
20. M. Meuwly and M. Karplus, J. Chem. Phys., 2002, 116, 2572.
21. D. Wei and D. R. Salahub, J. Chem. Phys., 1997, 106, 6086.
22. D. E. Sagnella and M. E. Tuckerman, J. Chem. Phys., 1998, 108, 2073.
23. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.11), Gaussian, Inc., Pittsburgh, PA, 2001.
24. B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan and M. Karplus, J. Comput. Chem., 1983, 4, 187.
25. D. A. McQuarrie, Statistical Mechanics, Harper Collins, 1976.
26. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
27. S. Sadukhan, D. Munoz, C. Adamo and G. E. Scuseria, Chem. Phys. Lett., 1999, 306, 83.
28. T. Loerting and K. Liedl, J. Am. Chem. Soc., 1998, 120, 12595.
29. S. Miura, M. E. Tuckerman and M. L. Klein, J. Chem. Phys., 1998, 109, 5290.
30. J.-H. Lim, E. K. Lee and Y. Kim, J. Phys. Chem. A, 1997, 101, 2233.
31. Y. Kim, S. Lim and Y. Kim, J. Phys. Chem. A, 1999, 103, 6632.
32. K. Remmers, W. L. Meerts and I. Ozier, J. Chem. Phys., 2000, 112, 10890.
33. L. Salem, X. Chapuisat, G. Segal, P. C. Hiberty, C. Minot, C. Leforestier and P. Sautet, J. Am. Chem. Soc., 1987, 109, 2887.
34. D. G. Truhlar and B. C. Garrett, Annu. Rev. Phys. Chem., 1984, 35, 159.
35. V. Guallar, V. S. Batista and W. H. Miller, J. Chem. Phys., 1999, 110, 9922.
36. C. S. Tautermann, A. F. Voegele, T. Loerting and K. Liedl, J. Chem. Phys., 2002, 117, 1962.
37. C. S. Tautermann, A. F. Voegele, T. Loerting and K. Liedl, J. Chem. Phys., 2002, 117, 1967.
38. C. Emmeluth, M, A. Suhm and D. Luckhaus, J. Chem. Phys., 2003, 118, 2242.
39. G. M. Florio, E. L. Siebert III and T. S. Zwier, Faraday Discuss., 2001, 118, 315.