The charge-transfer properties of the S2 state of fucoxanthin in solution and in fucoxanthin chlorophyll-a/c2 protein (FCP) based on stark spectroscopy and molecular-orbital theory

Journal of Physical Chemistry B

Volumn 112, Issue 37, 2008, Pages 11838-11853

  Premvardhan, Lavanya ^a,b   Sandberg, Daniel J ^c   Fey, Holger ^d   Birge, Robert R ^c   Büchel, Claudia ^d   Van Grondelle, Rienk ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b CEA   (France)

^c UNIVERSITY OF CONNECTICUT   (United States)

^d GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

PORPHYRINS;

CHARGE-TRANSFER; FUCOXANTHIN;

CHLOROPHYLL;

EID: 53049107368     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp802689p     Document Type: Article

References (77)

1. Falkowski, P. G.; Barber, R. T.; Smetacek, V. Science 1998, 281, 200.
2. Green, B. R.; Durnford, D. G. Annu. Rev. Plant Physiol. Plant Mol. Biol. 1996, 47, 685.
3. Yan, H.; Zhang, P.; Wang, C.; Liu, Z.; Chang, W. Biochem. Biophys. Res. Commun. 2007, 355, 457.
4. Mimuro, M.; Katoh, T.; Kawai, H. Biochim. Biophys. Acta 1990, 1015, 45.
5. Niedzwiedzski, D.; Koscielecki, J. F.; Cong, H.; Sullivan, J. O.; Gibson, G. N.; Birge, R. R.; Frank, H. A. J. Phys. Chem. B 2007, 111, 5984.
6. Shreve, A. P.; Trautman, J. K.; Owens, T. G.; Albrecht, C. Carotenoid to chlorophyll a singlet energy transfer: direct evidence for involvement of the carotenoid A state in an algal light harvesting system. In Current Research in Photosynthesis; Baltscheffski, M., Ed.; Kluwer Academic Publishers: Amsterdam, The Netherlands, 1990; Vol. 2, pp 293.
7. Mimuro, M.; Nagashima, U.; Takaichi, S.; Nishimura, Y.; Yamazaki, I.; Katoh, T. Biochim. Biophys. Acta 1992, 1098, 271.
8. Papagiannakis, E.; van Stokkum, I. H. M.; Fey, H.; Büchel, G.; van Grondelle, R. Photosynth. Res. 2005, 86, 241-250.
9. Bautista, J. A.; Connors, R. E.; Raju, B. B.; Hiller, R. C.; Sharples, F. P.; Gosztoł D.; Wasielewski, M. R.; Frank, H. A. J. Phys. Chem. B 1999, 103, 8751.
10. Hofmann, E.; Wrench, P. M.; Sharples, F. P.; Hiller, R. G.; Weite, W.; Diederichs, K. Science 1996, 272, 1788.
11. Zigmantas, D.; Hiller, R. G.; Sundström, V.; Polivka, T. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 16760.
12. Kleima, F. J.; Hofmann, E.; Gobets, B.; van Stokkum, I. H. M.; van Grondelle, R.; Diederichs, K.; van Amerongen, H. Biophys. J. 2000, 78, 344.
13. Akimoto, S.; Tomo, T.; Naitoh, Y.; Otomo, A.; Murakami, A.; Mimuro, M. J. Phys. Chem. B 2007, 111, 9179.
14. Zigmantas, D.; Hiller, R. G.; Sharples, F. P.; Sundström, V.; Polivka, T. Phys. Chem. Chem. Phys. 2004, 6, 3009.
15. Frank, H. A.; Bautista, J. A.; Josue, J.; Pendon, Z.; Hiller, R. G.; Sharples, F. P.; Gosztola, D.; Wasielewski, M. R. J. Phys. Chem. B 2000, 104, 4569.
16. Polivka, T.; Sundström, V. Chem. Rev. 2004, 104, 2021.
17. Polivka, T.; Stokkum, I. H. M.; Zigmantas, D.; van Grondelle, R.; Sundström, V.; Hiller, R. G. Biochemistry 2006, 45, 8516.
18. Premvardhan, L.; Papagiannakis, E.; Hiller, R. G.; van Grondelle, R. J. Phys. Chem. B 2005, 109, 15589.
19. Büchel, C. Biochemistry 2003, 42, 13027.
20. Beer, A.; Gundermann, K.; Beckmann, J.; Büchel, C. Biochemistry 2006, 45, 13046.
21. Liptay, W. Dipole moments and polarizabilities of molecules in excited states, In Excited States; Lim, E. C., Ed.; Academic Press: New York, 1974; Vol 1, pp 129.
22. Lohr, M.; Wilhelm, C. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 8784.
23. Haugan, J. A.; Englert, G.; Glinz, E.; Liaaen-Jensen, S. Acta Chem. Scand. 1992, 46, 389.
24. Premvardhan, L. L.; Peteanu, L. A. J. Phys. Chem. A 1999, 103, 7506.
25. Premvardhan, L. Thesis: Electrostatic Properties of Charge-Transfer Molecules. Carnegie Mellon University, Pittsburgh, PA, 2000.
26. Liptay, W.; Becker, J.; Wehning, D.; Lang, W.; Burkhard, O. Z. Naturforsch. 1982, 37a, 1396.
27. Oh, D. H.; Sano, M.; Boxer, S. G. J. Am. Chem. Soc. 1991, 113, 6880.
28. Bublitz, G. U.; Boxer, S. G. Annu. Rev. Phys. Chem. 1997, 48, 213.
29. Premvardhan, L.; Peteanu, L. Chem. Phys. Lett. 1998, 296, 521.
30. Reimers, J. R.; Hush, N. S. J. Phys. Chem. 1991, 95, 9773.
31. Beekman, L. M. P.; Frese, R. N.; Fowler, G. J. S.; Picorel, R.; Cogdell, R. J.; van Stokkum, I. H. M.; Hunter, C. N.; van Grondelle, R. J. Phys. Chem. B 1997, 101, 7293.
32. Palacios, M.; Frese, R. N.; Gradinaru, C.; van Stokkum, I. H. M.; Premvardhan, L.; Horton, P.; Ruban, A. V.; van Grondelle, R.; van Amerongen, H. Biochim. Biophys. Acta 2003, 1605, 83.
33. Böttcher, C. J. F. Theory of Electric Polarisation; Elsevier Publishing Co.: Amsterdam, The Netherlands, 1952.
34. Liptay, W. Angew. Chem., Int. Ed. 1969, 81, 195.
35. Bublitz, G. U.; Boxer, S. G. J. Am. Chem. Soc. 1998, 120, 3988.
36. Martin, C. H.; Birge, R. R. J. Phys. Chem. A 1998, 102, 852.
37. Ren, L.; Martin, C. H.; Wise, K. J.; Gillespie, N. B.; Luecke, H.; Lanyi, J. K.; Spudich, J. L.; Birge, R. R. Biochemistry 2001, 40, 13906.
38. Shima, S.; Ilagan, R. P.; Gillespie, N.; Sommer, B. J.; Hiller, R. C.; Sharples, F. P.; Frank, H. A.; Birge, R. R. J. Phys. Chem. A 2003, 107, 8052.
39. Kusnetzow, A. K.; Dukkipati, A.; Babu, K. R.; Ramos, L.; Knox, B. E.; Birge, R. R. Proc. Natl. Acad. Sci. USA 2004, 101, 941.
40. Hillebrecht, J. R.; Galan, J.; Rangarajan, R.; Ramos, L.; McCleary, K.; Ward, D. E.; Stuart, J. A.; Birge, R. R. Biochemistry 2006, 45, 1579.
41. Ishida, M.; Toyota, K.; Ehara, M.; Frisch, M. J.; Nakatsuji, H. J. Chem. Phys. 2004, 120, 2593.
42. Nakatsuji, H. Chem. Phys. Lett. 1978, 59, 362.
43. Dreuw, A.; Head-Gordon, M. J. Am. Chem. Soc. 2004, 126, 4007.
44. Spezia, R.; Zazza, C.; Palma, A.; Amadei, A.; Aschi, M. J. Phys. Chem. A 2004, 108, 6763.
45. Hu, C.; Sugino, O. J. Chem. Phys. 2007, 126, 074112.
46. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. G.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
47. Kim, H. J. J. Chem. Phys. 1996, 105, 6833.
48. Jeffrey, S. W. Biochim. Biophys. Acta 1969, 177, 456.
49. Parac, M.; Grimme, S. Chem. Phys. 2003, 292, 11.
50. Dreuw, A.; Head-Gordon, M. Chem. Phys. Lett. 2006, 426, 231.
51. Wang, L. Y.; Chen, Q. W.; Zhai, G. H.; Wen, Z. Y.; Zhang, Z. X. J. Mol. Struct. THEOCHEM 2006, 778, 15.
52. Zazza, C.; Grandi, A.; Bencivenni, L.; Aschi, M. J. Mol. Struct. THEOCHEM 2006, 764, 87.
53. Magyar, R. J.; Tretiak, S. J. Chem. Theory Comput. 2007, 3, 976.
54. Chu, S. I. J. Chem. Phys. 2005, 123, 062207.
55. Miura, M.; Aoki, Y.; Champagne, B. J. Chem. Phys. 2007, 127, 084103.
56. Li, Z. Y.; Wang, H. L.; Lu, T. T.; He, T. J.; Liu, F. C.; Chen, D. M. Spectrochim. Acta, Part A 2007, 67, 1382.
57. Yang, G. C.; Shi, S. Q.; Guan, W.; Fang, L.; Su, Z. M. J. Mol. Struct. THEOCHEM 2006, 773, 9.
58. Pendon, Z. D.; Sullivan, J. O.; Hoef, I.; Lugtenburg, J.; Cua, A.; Bocian, D. F.; Birge, R. R.; Frank, H. A. Photosynth. Res. 2005, 86, 5.
59. Frank, H. A.; Veeradej, C.; Desamero, R. Z. B.; Farhoosh, R.; Erickson, J.; Bautista, J. A. Pure Appl. Chem. 1997, 69, 2117.
60. Barker, J. W.; Noe, L. J. J. Chem. Phys. 1973, 59, 1304.
61. Locknar, S. A.; Peteanu, L. A.; Shuai, Z. J. Phys. Chem. A 1999, 103, 2197.
62. Myers, A. B.; Birge, R. R. J. Chem. Phys. 1980, 73, 5314.
63. 24 however for a system such as Fx which is quite polar in the ground state the application of an external field cannot be reliably estimated within the theoretical models used in our calculations.
64. Shreve, A. P.; Trautman, J. K.; Owens, T. G.; Albrecht, C. Chem. Phys. 1991, 154, 171.
65. Zigmantas, D.; Polivka, T.; Hiller, R. G.; Yartsev, A.; Sundström, V. J. Phys. Chem. A 2001, 105, 10296.
66. Katoh, T.; Nagashima, U.; Mimuro, M. Photosynth. Res. 1991, 27, 221.
67. Tallent, J. R.; Birge, J. R.; Zhang, C. F.; Wenderholm, E.; Birge, R. R. Photochem. Photobiol. 1992, 56, 935.
68. In the Stark experiment, the evaluation of the dipole moment difference is based on an overall broadening of the absorption spectrum in the presence of the external field, which will occur only if the solute dipoles are randomly oriented.
69. Mimuro, M.; Katoh, T. Pure Appl. Chem. 1991, 63, 123.
70. Yanagi, K.; Shimizu, M.; Hashimoto, H. J. Phys. Chem. B 2005, 109, 992.
71. Smalley, R.; O'Brien, M.; Raber, S.; Amonge, A.; Pedigo, J.; Buthelezi, T. J. Photochem., Photobiol. A: Chem. 2005, 170, 113.
72. Ruban, A. V.; Berera, R.; Ilioaia, C.; van Stokkum, I. H. M.; Kennis, J. T.; Pascal, A. A.; van Amerongen, H.; Robert, B.; Horton, P.; van Grondelle, R. Nature 2008, 450, 575.
73. Bayliss, N. S. J. Chem. Phys. 1950, 18, 292.
74. Olszowka, D.; Krawczyk, S.; Maksymiec, W. Biochim. Biophys. Acta 2004, 1657, 61.
75. Johansen, J. E.; Svec, W. A.; Liaaenje, S.; Haxo, F. T. Phytochemistry 1974, 13.
76. Personal communication 2008. The precise maxima of the published absorption spectra were provided by Harry A. Frank.
77. Carotenoids; Birkhäuser-Verlag,: Basel, Germany, 1995; Vol. 1B.