Excited state charge-transfer dynamics study of poplar plastocyanin by ultrafast pump-probe spectroscopy and molecular dynamics simulation

Biophysical Chemistry

Volumn 106, Issue 3, 2003, Pages 221-231

  Cimei, Tiziana ^a   Bizzarri, Anna Rita ^a   Cerullo, Giulio ^b   De Silvestri, Sandro ^b   Cannistraro, Salvatore ^a  

^a UNIVERSITY OF TUSCIA   (Italy)

^b POLITECNICO DI MILANO   (Italy)

Author keywords

Charge transfer excited state; Duschinsky rotation; High frequency mode; Molecular dynamics simulation; Poplar plastocyanin; Ultrafast pump probe spectroscopy

Indexed keywords

COPPER PROTEIN; PLASTOCYANIN;

ARTICLE; FOURIER TRANSFORMATION; LIGHT; LIGHT ABSORPTION; MOLECULAR DYNAMICS; MOLECULAR PROBE; OSCILLATION; PRIORITY JOURNAL; PUMP; RAMAN SPECTROMETRY; SIMULATION; SPECTROSCOPY; VIBRATION;

POPULUS BEROLINENSIS;

EID: 0141527454     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-4622(03)00215-1     Document Type: Article

References (34)

1. Edington M.D., Diffey W.M., Doria W.J., Riter R.E., Beck W.F. Radiationless decay from the ligand-to-metal charge-transfer state in the blue copper protein plastocyanin. Chem. Phys. Lett. 275:1997;119-126.
2. Book L.D., Arnett D.C., Hu H., Scherer N.F. Ultrafast pump-probe studies of excited-state charge-transfer dynamics in blue copper proteins. J. Phys. Chem. A. 102:1998;4350-4359.
3. Nakashima S., Nagasawa Y., Seike K., Okada T., Sato M., Kohzuma T. Coherent dynamics in ultrafast charge-transfer reaction of plastocyanin. Chem. Phys. Lett. 331:2000;396-402.
4. Cimei T., Bizzarri A.R., Cannistraro S., Cerullo G., De Silvestri S. Vibrational coherence in azurin with impulsive excitation of the LMCT absorption band. Chem. Phys. Lett. 362:2002;497-503.
5. Johnson A.E., Myers A.B. A comparison of time- and frequency-domain resonance Raman spectroscopy in triiodide. J. Chem. Phys. 104:1996;2497-2507.
6. Rosker M.J., Wise F.W., Tang C.L. Femtosecond relaxation dynamics of large molecules. Phys. Rev. Lett. 57:1986;321-324.
7. Ha J.M.Y., Maris H.J., Risen W.M., Tauc J., Thomsen C., Vardeny Z. Observation of molecular vibrations in real time. Phys. Rev. Lett. 57:1986;3302.
8. Nelson K.A., Williams L.R. Femtosecond time-resolved observation of coherent molecular vibrational motion. Phys. Rev. Lett. 58:1987;745.
9. Winkler J.R., Gray H.B. Electron transfer in ruthenium-modified proteins. Chem. Rev. 92:1992;369-379.
10. Andolfi L., Cannistraro S., Canters G.W., Facci P., Ficca A.G., Van Amsterdam I.M.C., et al. A poplar plastocyanin mutant suitable for adsorption onto gold surface via disulfide bridge. Arch. Biochem. Biophys. 339:2002;81-88.
11. Andolfi L., Bonanni B., Canters G.W., Verbeet M.PH., Cannistraro S. Scanning probe microscopy characterisation of gold-chemisorbed poplar plastocyanin mutant. Surf Sci. 530:2003;181-194.
12. Wang C.X., Bizzarri A.R., Xu Y.W., Cannistraro S. Molecular dynamics of copper plastocyanin: simulation of structure and dynamics as a function of hydration. Chem. Phys. 183:1994;155-166.
13. Ciocchetti A., Bizzarri A.R., Cannistraro S. Long term molecular dynamics simulation of copper Plastocyanin in water. Biophys. Chem. 69:1997;185-198.
14. Arcangeli C., Bizzarri A.R., Cannistraro S. Concerted motions in copper plastocyanin and azurin: an essential dynamics study. Biophys. Chem. 90:2001;45-56.
15. Arcangeli C., Bizzarri A.R., Cannistraro S. MD simulation and essential dynamics study of mutated plastocyanin: structural, dynamical and functional effects of a disulfide bridge insertion at the protein surface. Biophys. Chem. 92:2001;183-199.
16. Bizzarri A.R., Cannistraro S. Intensity fluctuations of the copper site resonant vibrational modes as studied by MD simulation in single plastocyanin molecule. Chem. Phys. Lett. 349:2001;503-510.
17. Solomon E.I., Hare J.W., Dooley D.M., Dawson J.H., Stephens P.J., Gray H.B. Spectroscopic studies of stellacyanin, plastocyanin, and azurin. Electronic structure of the blue copper sites. J. Am. Chem. Soc. 102:1980;168-178.
18. Gewirth A.A., Solomon E.I. Electronic structure of plastocyanin: excited state spectral features. J. Am. Chem. Soc. 110:1988;3811-3819.
19. Zavelani-Rossi M., Cerullo G., De Silvestri S., Gallmann L., Matuschek N., Steinmeyer G., et al. Pulse compression over a 170-THz bandwidth in the visible by use of only chirped mirrors. Opt. Lett. 26:2001;1155-1157.
20. α noise and diffusion. Physica D. 165:2002;242-250.
21. Barkhuijsen H., de Beer R., Bovee W.M., Creyghton J.H., van Ormondt D. Application of linear prediction and singular value decomposition (LPSVD) to determine NMR frequencies and intensities from the FID. Magn. Reson. Med. 2:1985;86-89.
22. Brooks C.L., Bruccoleri R.E., Olafson B.D., Statos D.J., Swaminathan S., Karplus M. CHARMM: a program for macromolecular energy, minimisation and dynamics calculations. J. Comp. Chem. 4:1983;187-217.
23. Ungar L.W., Scherer N.F., Voth G.A. Classical molecular dynamics simulation of the photoinduced electron transfer dynamics of plastocyanin. Biophys. J. 72:1997;5-17.
24. Guckert J.A., Lowery M.D., Solomon E.I. Electronic structure of the reduced blue copper active site: contributions to reduction potentials and geometry. J. Am. Chem. Soc. 117:1995;2817-2844.
25. Larsson S., Broo A., Sjölin L. Connection between structure, electronic spectrum, and electron-transfer properties of blue copper proteins. J. Phys. Chem. 99:1995;4860-4865.
26. Press W.H., Flannery B.P., Teukolsky S.A., Vetterling W.T. Numerical Recipes: The art of scientific computing. 1986;Cambridge University Press, New York.
27. Loppnow G.R., Fraga E. Proteins as solvents: The role of amino acid composition in the excited-state charge-transfer dynamics of plastocyanins. J. Am. Chem. Soc. 119:1997;896-905.
28. 15N-labelled plastocyanin. J. Am. Chem. Soc. 117:1995;6443-6446.
29. Loehr T.M., Sanders-Loehr J. Lontie R. Copper proteins and copper enzymes. I:1984;116 CRC Press, Boca Raton, FL.
30. Bizzarri A.R., Paciaroni A., Arcangeli C., Cannistraro S. Low frequency vibrational modes in proteins: a neutron scattering investigation. Eur. Biophys. J. 30:2001;443-449.
31. Zhou H.X., Wlodek S.T., McCammon J.A. Conformational gating as a mechanism for enzyme specificity. Proc. Natl. Acad. Sci. USA. 95:1998;9280-9283.
32. Morris D.E., Woodruff W.H. Detailed aspects of Raman scattering. Overtone and combination intensities and prescriptions of determining excited-state structure. J. Phys. Chem. 89:1985;5795-5798.
33. Sando G.M., Spears K.G., Hupp J.T., Ruhoff P.T. Large electron transfer rate effects from the Duschinsky mixing of vibrations. J. Phys. Chem. A. 105:2001;5317-5325.
34. Hegger R., Kantz H., Schreiber T. Practical implementation of non-linear time series methods: the TISEAN package. Chaos. 9:1999;413-435.