Mechanism and unidirectionality of the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: SAC-CI theoretical study

Journal of Physical Chemistry B

Volumn 102, Issue 50, 1998, Pages 10420-10430

  Hasegawa, J ^a   Nakatsuji, H ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000974133     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp982870x     Document Type: Article

References (47)

1. Voet, D.; Voet, J. G. Biochemistry, 2nd ed.; John Wiley & Sons: New York, 1995; Chapter 22.
2. Deisenhofer, J.; Epp, O.; Miki, K.; Huber, R.; Michel, H. J. Mol. Biol, 1984, 180, 385.
3. Hörber, J. K. H.; Göbel, W.; Ogrodnik, A.; Michel-Beyerle, M. E.; Knapp, F. W. In Antennas and Reaction Ceters of Photosynthetic Bacteria; Michel-Beyerle, M. E., Ed.; Springer-Verlag: Berlin, 1985; pp 292.
4. Hörber, J. K. H.; W. Göbel; Ogrodnik, A.; Michel-Beyerle, M. E.; Cogdell, R. J. FEBS Lett. 1986, 198, 268.
5. Marcus, R. A.; Sutin, N. Biochem. Biophys. Acta 1985, 811, 265
6. Thompson, M. A.; Zerner, M. C. J. Am. Chem. Soc. 1992, 113, 8210.
7. Scherer, O. J.; Scharnagl, C.; Fischer, S. F. Chem. Phys. 1995, 197, 333.
8. Michel-Beyerle, M. E.; Plato, M.; Deisenhofer, J.; Michel, H.; Bixon, M.; Jortner, J. Biochem. Biophys. Acta 1988, 932, 52.
9. Gunner, M. R.; Nicholls, A.; Honig, B. J. Phys. Chem. 1996, 100, 4277.
10. Marchi, M.; Gehlen, J. N.; Chandler, D.; Newton, M. D. J. Am. Chem. Soc. 1993, 115, 4178.
11. Plato, M.; Möbius, K.; Michel-Beyerle, M. E.; Bixon, M.; Jortner, J. J. Am. Chem. Soc. 1988, 110, 7279.
12. Nakatsuji, H.; Hirao, K. J. Chem. Phys. 1978, 68, 2053.
13. Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362; 1979, 67, 329; 1979, 67, 334.
14. Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362; 1979, 67, 329; 1979, 67, 334.
15. Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362; 1979, 67, 329; 1979, 67, 334.
16. Nakatsuji, H.; Hirao, K.; Mizukami, M. Chem. Phys. Lett. 1991, 179, 555.
17. Nakatsuji, H. Acta Chim. Hung. 1992, 129, 719.
18. Nakatsuji, H. In Computational Chemistry, Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific: Singapore, 1996; Vol. 2. pp 62-124.
19. Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321; Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. A 1998, 102, 1843.
20. Nakatsuji, H.; Hasegawa, J.; Hada, M. J. Chem. Phys. 1996, 104, 2321; Tokita, Y.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. A 1998, 102, 1843.
21. Hasegawa, J.; Hada, M.; Nonoguchi, M.; Nakalsuji, H. Chem. Phys. Lett. 1996, 250, 159.
22. Hasegawa, J.; Ozeki, Y.; Ohkawa, K.; Hada, M.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 1320.
23. Nakatsuji, H.; Tokita, Y.; Hasegawa, J.; Hada, M. Chem. Phys. Lett. 1996, 256, 220.
24. Tokita, Y.; Nakatsuji, H. J. Phys. Chem. B. 1997, 101, 3281.
25. Toyota, K.; Hasegawa, J.; Nakatsuji, H. J. Phys. Chem. A 1997, 101, 446.
26. Hasegawa, J.; Ohkawa, K.; Nakatsuji, H. J. Phys. Chem. B 1998, 102, 10410.
27. Nakatsuji, H.; Hasegawa, J.; Ohkawa, K. Chem. Phys. Lett. 1998. In press.
28. Breton, J. Biochem. Biophys. Acta 1985, 810, 235.
29. Abola, E. E.; Bernstein, F. C.; Bryant, S. H.; Koetzle, T. F.; Weng, J. Protein Data Bank, In Crystallographic Databases-Information Content, Software Systems, Scientific Applications; Allen, F. H., Bergerhoff, G., Sievers, R., Eds.; Data Commission of the International Union of Crystallography: Chester, 1987; pp 107-132. Bernstein, F. C.; Koetzle, T. F.; Williams, G. J. B.; Meyer, E. F., Jr.; Brice, M. D.; Rodgers, J. R.; Kennard, O.; Shimanouchi, T.; Tasumi, M. The Protein Data Bank: A Computer-Based Archival File for Macromolecular Structures. J. Mol. Biol. 1977, 112, 535.
30. Abola, E. E.; Bernstein, F. C.; Bryant, S. H.; Koetzle, T. F.; Weng, J. Protein Data Bank, In Crystallographic Databases-Information Content, Software Systems, Scientific Applications; Allen, F. H., Bergerhoff, G., Sievers, R., Eds.; Data Commission of the International Union of Crystallography: Chester, 1987; pp 107-132. Bernstein, F. C.; Koetzle, T. F.; Williams, G. J. B.; Meyer, E. F., Jr.; Brice, M. D.; Rodgers, J. R.; Kennard, O.; Shimanouchi, T.; Tasumi, M. The Protein Data Bank: A Computer-Based Archival File for Macromolecular Structures. J. Mol. Biol. 1977, 112, 535.
31. Huzinaga, S.; Andzelm, J.; Klobukowski, M.; Radzio-Andzelm, E.; Sakai, Y.; Tatewaki, H. Gaussian Basis Set for Molecular Calculations; Elsevier: NewYork, 1984.
32. Huzinaga, S.; J. Chem. Phys. 1965, 42, 1293.
33. Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Freguson, D. R.; Spellmeyer, D. C.; Fox, Y.;Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117, 5179
34. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; M. L. Klein, J. Chem. Phys. 1983, 79, 926.
35. Nakatsuji, H. Chem. Phys. 1983, 75, 425.
36. Dupuis, M.; Farazdel, A. MOTECC-91; Center for Scientific and Engineering Computations: IBM Corporation, 1991.
37. Nakatsuji, H.; Hada, M.; Ehara, M.; Hasegawa, J.; Nakajima, T.; Nakai, H.; Kitao, O.; Toyota, K. SAC/SAC-CI Program System (SAC-C196) for Calculating Ground, Excited, Ionized, and Electron Attoched States and Singlet to Septet Spin Multiplicities; 1998, To be submitted for publication.
38. Nakatsuji, H. Program system for SAC and SAC-CI calculations. Program Library No. 146(Y4/SAC): Data Processing Center of Kyoto University; Kyoto, Japan, 1985; Program Library SAC85; No. 1396; Computer Center of the Institute for Molecular Science: Okazaki, 1981.
39. Tanaka S.; Marcus, R. A. J. Phys., Chem. B. 1997, 101, 5031.
40. Nakajima, T., Nakatsuji, H. Chem. Phys. Lett. 1998. In press.
41. Schmidt, S.; Arlt, T.; Hamm, P.; Huber, H.; Nägele, T.; Wachtveitl, J.; Meyer, M.; Scheer, H.; Zinth, W. Chem. Phys. Letters 1994, 223, 116.
42. Schmidt, S.; Arlt, T.; Hamm, P.; Huber, H.; Nägele, T.; Wachtveitl, J.; Meyer, M.; Scheer, H.; Zinth, W. Spectrochim. Acta 1995, 51A, 1565.
43. Gunner, M. R.; Dutton, P. L. J. Am. Chem. Soc. 1989, 111, 3400.
44. 37 is used.
45. Bixon, M.; Jortner, J.; Michel-Bayerle, M. E. The Photosynthetic Bacterical Resction Center, Breton, J., Vermeglio, A., Eds.; Plenum Press: New York, 1992.
46. Lutz, M.; Robert, B. In Antennas and Reaction Centers of Photosynthetic Bacteria; Michel-Beyerle, M. E., Ed.; Springer-Verlag: Berlin, 1985; p 138.
47. Feher, G.; Isaacson, R. A.; Okamura, M. Y.; Lubitz, W. Biophys. J. 1987, 51, 337a.