Electronic couplings and energy transfer dynamics in the oxidized primary electron donor of the bacterial reaction center

Journal of Physical Chemistry B

Volumn 108, Issue 5, 2004, Pages 1753-1765

  Jordanides, Xanthipe J ^a   Scholes, Gregory D ^a,c   Shapley, Warwick A ^b   Reimers, Jeffrey R ^b   Fleming, Graham R ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF SYDNEY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIA; CALCULATIONS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; ELECTRON TRANSPORT PROPERTIES; GROUND STATE; MOLECULAR SPECTROSCOPY; OXIDATION; PHOTOSYNTHESIS; POSITIVE IONS;

BACTERIOCHLOROPHYLLS; ELECTRONIC ENERGY TRANSFER; EXCITED STATE; GENERALIZED FORSTER THEORY; MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATION;

MOLECULAR DYNAMICS;

EID: 1242333128     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036516x     Document Type: Article

References (79)

1. Hoff, A. J.; Deisenhofer, J. Physics Reports 1997, 287, 1.
2. Martin, J. L.; Breton, J.; Hoff, A. J.; Migus, A.; Antonetti, A. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 957.
3. Wraight, C. A.; Clayton, R. K. Biochim. Biophys. Acta 1974, 333, 246.
4. Clayton, R. K. Photochem. Photobiol. 1962, 1, 201.
5. Slooten, L. Biochim. Biophys. Acta 1972, 256, 452.
6. Breton, J.; Martin, J.-L.; Migus, A.; Antonetti, A.; Orszag, A. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 5121.
7. Breton, J.; Martin, J.-L.; Fleming, G. R.; Lambry, J.-C. Biochemistry 1988, 27, 8276.
8. Jia, Y. W.; Jonas, D. M.; Joo, T. H.; Nagasawa, Y.; Lang, M. J.; Fleming, G. R. J. Phys. Chem. 1995, 99, 6263.
9. Jonas, D. M.; Lang, M. J.; Nagasawa, Y.; Bradforth, S. E.; Dikshit, S. N.; Jimenez, R.; Joo, T.; Fleming, G. R. Ultrafast Energy Transfer within the Bacterial Photosynthetic RC. In Proceedings of the Feldafing III Workshop; Munich, 1995.
10. Jonas, D. M.; Lang, M. J.; Nagasawa, Y.; Joo, T.; Fleming, G. R. J. Phys. Chem. 1996, 100, 12660.
11. Stanley, R. J.; King, B.; Boxer, S. G. J. Phys. Chem. 1996, 100, 12052.
12. Lin, S.; Taguchi, A. K. W.; Woodbury, N. W. J. Phys. Chem. 1996, 100, 17067.
13. Haran, G.; Wynne, K.; Moser, C. C.; Dutton, P. L.; Hochstrasser, R. M. J. Phys. Chem. 1996, 100, 5562.
14. Vos, M. H.; Breton, J.; Martin, J. L. J. Phys. Chem. B 1997, 101, 9820.
15. King, B. A.; Stanley, R. J.; Boxer, S. G. J. Phys. Chem. B 1997, 101, 3644.
16. Vulto, S. I. E.; Streltsov, A. M.; Shkuropatov, A. Y.; Shuvalov, V. A.; Aartsma, T. J. J. Phys. Chem. B 1997, 101, 7249.
17. Arnett, D. C.; Moser, C. C.; Dutton, P. L.; Scherer, N. F. J. Phys. Chem. B 1999, 103, 2014.
18. King, B. A.; McAnaney, T.; deWinter, A.; Boxer, S. G. J. Phys. Chem. B 2000, 104, 8895.
19. Jackson, J. A.; Lin, S.; Taguchi, A. K. W.; Williams, J. C.; Allen, J. P.; Woodbury, N. W. J. Phys. Chem. B 1997, 101, 5747.
20. Hutter, M. C.; Hughes, J. M.; Reimers, J. R.; Hush, N. S. J. Phys. Chem. B 1999, 103, 4906.
21. Scholes, G. D.; Jordanides, X. J.; Fleming, G. R. J. Phys. Chem. B 2001, 105, 1640.
22. Jordanides, X. J.; Scholes, G. D.; Fleming, G. R. J. Phys. Chem. B 2001, 105, 1652.
23. Reed, D. W. J. Biol. Chem. 1969, 244, 4963.
24. Philipson, K. D.; Sauer, K. Biochemistry 1973, 12, 535.
25. Parson, W. W.; Cogdell, R. J. Biochim. Biophys. Acta 1975, 416, 105.
26. Clayton, B. J.; Clayton, R. K. Biochim. Biophys. Acta 1978, 501, 470.
27. Moss, D. A.; Leonhard, M.; Bauscher, M.; Maentele, W. FEBS Lett. 1991, 283, 33.
28. Stocker, J. W.; Hug, S.; Boxer, S. G. Biochim. Biophys. Acta 1993, 1144, 325.
29. Breton, J.; Nabedryk, E.; Parson, W. W. Biochemistry 1992, 31, 7503.
30. Treynor, T. P.; Andrews, S. S.; Boxer, S. G. J. Phys. Chem. B 2003, 107, 11230.
31. Walla, P. J.; Linden, P. A.; Hsu, C. P.; Scholes, G. D.; Fleming, G. R. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 10808.
32. Scholes, G. D.; Fleming, G. R. J. Phys. Chem. B 2000, 104, 1854.
33. Reimers, J. R.; Hush, N. S. J. Am. Chem. Soc. 1995, 117, 1302.
34. Reimers, J. R.; Hush, N. S. Chem. Phys. 1995, 197, 323.
35. Reimers, J. R.; Hutter, M. C.; Hush, N. S. Photosynth. Res. 1998, 55, 163.
36. Reimers, J. R.; Hunter, M. C.; Hughes, J. M.; Hush, N. S. Int. J. Quantum Chem. 2000, 80, 1224.
37. Parson, W. W.; Nabedryk, E.; Breton, J. NATO ASI Ser., Ser. A 1992, 237, 79.
38. Scherer, P. O. J.; Fischer, S. F. Theoretical studies on the electron structure of the special pair dimer and the charge separation process for the reaction center Rhodopseudomonas viridis. In NATO ASI Ser., Ser. A, 1992; Vol. 237; p 193.
39. Reimers, J. R.; Hush, N. S. J. Chem. Phys. 2003, 119, 3262.
40. Reimers, J. R.; Shapley, W. A.; Hush, N. S. J. Chem. Phys. 2003, 119, 3240.
41. Reimers, J. R.; Shapley, W. A.; Rendell, A. P.; Hush, N. S. J. Chem. Phys. 2003, 119, 3249.
42. Krueger, B. P.; Scholes, G. D.; Fleming, G. R. J. Phys. Chem. B 1998, 102, 5378.
43. Chappell, P. J.; Fischer, G.; Reimers, J. R.; Ross, I. G. J. Mol. Spectrosc. 1981, 87, 316.
44. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
45. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; 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.; Mennuci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochtersi, J.; Patterson, 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.; Komaroni, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, G.; 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 A7; Gaussian Inc.: Pittsburgh, 1998.
46. Cai, Z.-L.; Sendt, K.; Reimers, J. R. J. Chem. Phys. 2002, 117, 5543.
47. Tozer, D. J.; Amos, R. D.; Handy, N. C.; Roos, B. O.; Serrano-Andr's, L. Mol. Phys. 1999, 97, 859.
48. Hughes, J. M.; Hutter, M. C.; Reimers, J. R.; Hush, N. S. J. Am. Chem. Soc. 2001, 123, 8550.
49. Ellis, R. L.; Kuehnlentz, G.; Jaffé, H. H. Theor. Chim. Acta 1972, 26, 131.
50. McWeeny, R. Methods of molecular quantum mechanics, 2nd ed.; Academic Press: London, San Diego, 1989.
51. Scholes, G. D.; Gould, I. R.; Cogdell, R. J.; Fleming, G. R. J. Phys. Chem. B 1999, 103, 2543.
52. Jackson, J. D. Classical electrodynamics, 2d ed.; Wiley: New York, 1975.
53. Buckingham, A. D. Adv. Chem. Phys. 1967, 12, 107.
54. Buehler, R. J.; Hirschfelder, J. O. Phys. Rev. 1951, 83, 628.
55. Buckingham, A. D. Discuss. Faraday Soc. 1965, No. 40, 232.
56. Stone, A. J. The theory of intermolecular forces; Clarendon Press: New York, 1996.
57. Scholes, G. D.; Andrews, D. L. J. Chem. Phys. 1997, 107, 5374.
58. Scherz, A.; Parson, W. W. Biochim. Biophys. Acta 1984, 766, 653.
59. Breton, J. Low-temperature linear dicrosim study of the orientation of the pigments in reduced and oxidized reaction centers of Rps. viridis and Rb. sphaeroides. In The photosynthetic bacterial reaction center: structure and dynamics; Breton, J., Vermeglio, A., Eds.; Plenum Press: New York, 1988; Vol. I; p 59.
60. Hartwich, G.; Scheer, H.; Aust, V.; Angerhofer, A. Biochim. Biophys. Acta Bioenergetics 1995, 1230, 97.
61. Kirmaier, C.; Gaul, D.; Debey, R.; Holten, D.; Schenck, C. C. Science 1991, 251, 922.
62. Steffen, M. A.; Lao, K. Q.; Boxer, S. G. Science 1994, 264, 810.
63. Longuet-Higgins, H. C.; Rector, C. W.; Platt, J. R. J. Chem. Phys. 1950, 18, 1174.
64. Rautter, J.; Lendzian, F.; Lubitz, W.; Wang, S.; Allen, J. P. Biochemistry 1994, 33, 12077.
65. Lendzian, F.; Huber, M.; Isaacson, R. A.; Endeward, B.; Plato, M.; Boenigk, B.; Moebius, K.; Lubitz, W.; Feher, G. Biochim. Biophys. Acta 1993, 1183, 139.
66. Zhou, H.; Boxer, S. G. J. Phys. Chem. B 1998, 102, 9139.
67. Moore, L. J.; Zhou, H.; Boxer, S. G. Biochemistry 1999, 38, 11949.
68. Reimers, J. R.; Hush, N. S. Inorg. Chim. Acta 1994, 226, 33.
69. Jordanides, X. J., unpublished results.
70. Treynor, T. P., personal communication.
71. Sauner, K.; Dratz, E. A.; Coyne, L. Proc. Natl. Acad. Sci. U.S.A. 1968, 61, 17.
72. Breton, J.; Nabedryk, E.; Clerici, A. Vib. Spectrosc. 1999, 19, 71.
73. Breton, J. Biochim. Biophys. Acta Bioenergetics 1985, 810, 235.
74. Shreve, A. P.; Cherepy, N. J.; Franzen, S.; Boxer, S. G.; Mathies, R. A. Proc. Natl. Acad. Sci. U.S.A. 1991, 99, 11207.
75. Cherepy, N. J. Electronic and Nuclear Dynamics of the Bacterial Photosynthetic Reaction Center and Chorosomes from Resonance Raman Intensities; Ph.D. Thesis, University of California, Berkeley, 1996.
76. Groot, M. L.; Yu, J. Y.; Agarwal, R.; Norris, J. R.; Fleming, G. R. J. Phys. Chem. B 1998, 102, 5923.
77. Harcourt, R. D.; Ghiggino, K. P.; Scholes, G. D.; Steer, R. P. J. Chem. Phys. 1998, 109, 1310.
78. Pyernik, M.; Perets, E.; Scharf, B. E. J. Mol. Spectrosc. 1995, 169, 315.
79. Scholes, G. D. Annu. Rev. Phys. Chem. 2003, 54, 57-87.