Spectroscopy and quantum chemical modeling reveal a predominant contribution of excitonic interactions to the bathochromic shift in α-crustacyanin, the blue carotenoprotein in the carapace of the lobster Homarus gammarus

Journal of the American Chemical Society

Volumn 127, Issue 5, 2005, Pages 1438-1445

  Van Wijk, Arjan A C ^a   Spaans, Arnold ^a   Uzunbajakava, Natallia ^b,c   Otto, Cees ^b   De Groot, Huub J M ^a   Lugtenburg, Johan ^a   Buda, Francesco ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

^b UNIVERSITY OF TWENTE   (Netherlands)

^c PHILIPS RESEARCH LABORATORIES   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; CHROMOPHORES; COLOR; CONFORMATIONS; EXCITONS; GROUND STATE; MATHEMATICAL MODELS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; RAMAN SPECTROSCOPY;

ASTAXANTHIN; COLOR CHANGE; DENSITY FUNCTIONAL THEORY; QUANTUM CHEMICAL MODELING;

PROTEINS;

ALPHA CRUSTACYANIN; ASTAXANTHIN; BETA CRUSTACYANIN; BINDING PROTEIN; CAROTENOPROTEIN; CRUSTACYANIN; UNCLASSIFIED DRUG;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL MODEL; CHROMATOPHORE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; GAMMARUS; HYDROGEN BOND; LOBSTER; NONHUMAN; POLARIZATION; PROTEIN AGGREGATION; PROTEIN BINDING; PROTEIN INTERACTION; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY; SOLID STATE;

ANIMALS; BETA CAROTENE; CARBON ISOTOPES; CARRIER PROTEINS; MODELS, MOLECULAR; NEPHROPIDAE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PIGMENTS, BIOLOGICAL; PROTEINS; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTRUM ANALYSIS, RAMAN; XANTHOPHYLLS;

EID: 13444278617     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja045049+     Document Type: Article

References (35)

1. Buchwald, M.; Jencks, W. P. Biochemistry 1968, 7, 844-859.
2. Renström, B.; Rönneberg, H.; Borch, G.; Liaaen-Jensen, S. Comp. Biochem. Physiol., B 1982, 71, 249-252.
3. Nakanishi, K.; Berova, N. In Circular Dichroism Principles and Applications; Nakanishi, K., Berova, N., Woody, R., Eds.; VCH Publishers: New York, 1994; pp 361-398.
4. Salares, V. R.; Young, N. M.; Beukers, H. J.; Carey, P. R. Biochim. Biophys. Acta 1979, 576, 176-191.
5. Weesie, R. J.; Askin, D.; Jansen, F. J. H. M.; de Groot, H. J. M.; Lugtenburg, J.; Britton, G. FEBS Lett. 1995, 362, 34-38.
6. Weesie, R. J.; Jansen, F. J. H. M.; Merlin, J. C.; Lugtenburg, J.; Britton, G.; de Groot, H. J. M. Biochemistry 1997, 36, 7288-7296.
7. Weesie, R. J.; Merlin, J. C.; de Groot, H. J. M.; Britton, G.; Lugtenburg, J.; Jansen, F. J. H. M.; Cornard, J. P. Biospectroscopy 1999, 5, 358-370.
8. Dokter, A. M.; van Hemert, M. C.; In't Velt, C. M.; van der Hoef, K.; Lugtenburg, J.; Frank, H. A.; Groenen, E. J. J. J. Phys. Chem. A 2002, 106, 9463-9469.
9. Cianci, M.; Rizkallah, P. J.; Olczak, A.; Raferty, J.; Chayen, N. E.; Zagalsky, P. F.; Helliwel, J. R. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 9795-9811.
10. Jansen, F. J. H. M.; Lugtenburg, J. Eur. J. Org. Chem. 2000, 829-836.
11. Creemers, A. F. L.; Lugtenburg, J. J. Am. Chem. Soc. 2002, 124, 6324-6334.
12. Zagalsky, P. F. Methods Enzymol. 1985, 111B, 216-247.
13. Britton, G.; Weesie, R. J.; Askin, D.; Warburton, J. D.; Gallardo-Guerrero, L.; Jansen, F. J. H. M.; de Groot, H. J. M.; Lugtenburg, J.; Cornard, J. P.; Merlin, J. C. Pure Appl. Chem. 1997, 69, 2075-2085.
14. Pines, A.; Gibby, M. G.; Waugh, J. S. J. Chem. Phys. 1973, 59, 569-573.
15. Balaban, T. S.; Holzwarth, A. R.; Schaffner, K.; Boender, G. J.; de Groot, H. J. M. Biochemistry 1995, 34, 15259-15266.
16. Boender, G. J.; Raap, J.; Prytulla, S.; Oschkinat, H.; de Groot, H. J. M. Chem. Phys. Lett. 1995, 237, 502-508.
17. van Rossum, B. J.; Boender, G. J.; de Groot, H. J. M. J. Magn. Reson. A 1996, 120, 274-277.
18. Vinogradov, E.; Madhu, P. K.; Vega, S. Chem. Phys. Lett. 1999, 314, 443-450.
19. Gross, E. K. U.; Kohn, W. Adv. Quantum Chem. 1990, 21, 255.
20. (b) Casida, M. E. In Recent Developments and Applications of Modern Density Functional Theory; Seminario, J. M., Ed.; Elsevier: Amsterdam, 1996.
21. Becke, A. D. J. Chem. Phys. 1986, 84, 4524.
22. (b) Lee, C.; Yang, W.; Parr, R. Phys. Rev. B 1998, 37, 785.
23. Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391.
24. (b) van Gisbergen, S. J. A.; Snijders, J. G.; Baerends, E. J. J. Comput. Phys. Commun. 1999, 118, 119.
25. Hsu, C.; Hirata, S.; Head-Gordon, M. J. Phys. Chem. A 2001, 105, 451-458.
26. Englert, G.; Kienzle, F.; Noack, K. Helv. Chim. Acta 1977, 60, 1209.
27. Kjeldahl-Andersen, G.; Lutnaes, B. F.; Liaaen-Jensen, S. Org. Biomol. Chem. 2004, 2, 489-498.
28. Weesie, R. J.; Merlin, J. C.; Lugtenburg, J.; Britton, G.; Jansen, F. J. H. M.; Cornard, J. P. Biospectroscopy 1999, 5, 19-33.
29. Merlin, J. C. Pure Appl. Chem. 1985, 57, 785-792.
30. Merlin, J. C. Raman Spectrosc. 1987, 18, 519-523.
31. Rimai, L.; Heyde, M. E.; Gill, D. J. Am. Chem. Soc. 1971, 93, 6776-6780.
32. Bart, J. C. J.; Macgillavry, C. H. Acta Crystallogr. B 1968, 24, 1587.
33. Pawlikowski, M. Acta Phys. Pol. 1988, A74, 145-149.
34. Durjeeb, B.; Eriksson, L. A. Chem. Phys Lett. 2003, 375, 30-38.
35. Krawczyk, S.; Britton, G. Biochim. Biophys. Acta 2001, 1544, 301-310.