Optical and structural properties of copper-oxytocin dications in the gas phase

Journal of Physical Chemistry B

Volumn 113, Issue 32, 2009, Pages 11293-11300

  Joly, Laure ^a   Antoine, Rodolphe ^a   Albrieux, Florian ^a   Ballivian, Renaud ^b   Broyer, Michel ^a   Chirot, Fabien ^b   Lemoine, Jérôme ^b   Dugourd, Philippe ^a   Greco, Claudio ^c   Mitrić, Roland ^d   Bonačić Koutecký, Vlasta ^c  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITÉ LYON 1   (France)

^c HUMBOLDT UNIVERSITY   (Germany)

^d FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; AMINO ACIDS; COPPER; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GAS DYNAMICS; GASES; LIGHT TRANSMISSION; PEPTIDES; PHOTOLYSIS; POSITIVE IONS;

COPPER COMPLEXATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DICATIONS; GASPHASE; GLOBAL ENHANCEMENT; ION MOBILITY; LOW ENERGY STRUCTURES; LOWEST ENERGY STRUCTURE; OPTICAL SPECTRA; PHOTOFRAGMENTATION; PROTONATED; RECEPTOR PROTEINS; SPECTRAL FEATURE; STRUCTURAL AND OPTICAL PROPERTIES; THEORETICAL INVESTIGATIONS; UV PHOTODISSOCIATION; X RAY CRYSTAL STRUCTURES;

OPTICAL PROPERTIES;

EID: 68549112894     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9037478     Document Type: Article

References (48)

1. Glusker, J. R. Adv. Protein Chem. 1996, 42, 1.
2. The Biological Chemistry of the Elements; Clarendon Press: Oxford, 1991.
3. Cascella, M.; Cuendet, M. A.; Tavernelli, I.; Rothlisberger, U. J. Phys. Chem. B 2007, 111, 10248.
4. Delfino, I.; Sato, K.; Harrison, M. D.; Andolfi, L.; Bizzarri, A. R.; Dennison, C.; Cannistraro, S. Biochemistry 2005, 44, 16090.
5. Breslow, E. Annu. Rev. Biochem. 1978, 48, 251.
6. Gimpl, G.; Fahrenholz, F. Physiol. Rev. 2001, 81, 629.
7. Fanelli, F.; Barbier, P.; Zanchetta, D.; De Benedetti, P. G.; Chini, B. Mol. Pharmacol. 1999, 56, 214.
8. Slusarz, M. J.; Susarz, R.; Ciarkowski, J. J. Pept. Sci. 2006, 12, 171.
9. Conner, M.; Hawtin, S. R.; Simms, J.; Wootten, D.; Lawson, Z.; Conner, A. C.; Parslow, R. A.; Wheatley, M. J. Biol. Chem. 2007, 282, 17405.
10. Rose, J. P.; Wu, C.-K.; Hsiao, C.-D.; Breslow, E.; Wang, B.-C. Nat. Struct. Biol. 1996, 3, 163.
11. Pearlmutter, A. F.; Soloff, M. S. J. Biol. Chem. 1979, 254, 3899.
12. Bal, W.; Kozlowski, H.; Lammek, B.; Pettit, L. D.; Rolka, K. J. Inorg. Biochem. 1992, 45, 193.
13. Campbell, B. J.; Chu, F. S.; Hubbard, S. Biochemistry 1963, 2, 764.
14. Danyi, P.; Varnagy, K.; Sovago, I.; Schon, I.; Sanna, D.; Micera, G. J. Inorg. Biochem. 1995, 60, 69.
15. Kozlowski, H.; Radomska, B.; Kupryszewski, G.; Lammek, B.; Livera, C.; Pettit, L. D.; Pyburn, S. J. Chem. Soc., Dalton Trans. 1989, 173.
16. Chruscinska, E.; Derdowska, I.; Kozlowski, H.; Lammek, B.; Luckowski, M.; Oldziej, S.; Swiatek-Kozlowska, J. New J. Chem. 2003, 27, 251.
17. Kleinnijenhuis, A. J.; Mihalca, R.; Heeren, R. M. A.; Heck, A. J. R. Int. J. Mass Spectrom. 2006, 253, 217.
18. Wei, H.; Luo, X.; Wu, Y.; Yao, Y.; Guo, Z.; Zhu, L. J. Chem. Soc., Dalton Trans. 2000, 4196.
19. Mihalca, R.; van der Burgt, Y. E. M.; Heck, A. J. R.; Heeren, R. M. A. J. Mass Spectrom. 2007, 42, 450.
20. Wyttenbach, T.; Liu, D.; Bowers, M. T. J. Am. Chem. Soc. 2008, 130, 5993.
21. Liu, D.; Seuthe, A. B.; Ehrler, O. T.; Zhang, X.; Wyttenbach, T.; Hsu, J. F.; Bowers, M. T. J. Am. Chem. Soc. 2005, 127, 2024.
22. Joly, L.; Antoine, R.; Allouche, A.-R.; Broyer, M.; Lemoine, J.; Dugourd, P. J. Phys. Chem. A 2009, 113, 6607.
23. Joly, L.; Antoine, R.; Allouche, A. R.; Broyer, M.; Lemoine, J.; Dugourd, P. J. Am. Chem. Soc. 2007, 129, 8428.
24. Rulisek, L.; Havlas, Z. J. Phys. Chem. A 2002, 106, 3855.
25. Ghosh, S.; Dey, A.; Sun, Y.; Scholes, C. P.; Solomon, E. I. J. Am. Chem. Soc. 2009, 131.
26. Bruschi, M.; De Gioia, L.; Mitrić, R.; Bonačić- Koutecký, V.; Fantucci, P. Phys. Chem. Chem. Phys. 2008, 10, 4573.
27. Sinnecker, S.; Neese, F. J. Comput. Chem. 2006, 27, 1463.
28. Hattig, C.; Weigend, F. J. Chem. Phys. 2000, 113, 5154.
29. Hattig, C.; Kohn, A. J. Chem. Phys. 2002, 117, 6939.
30. Dewar, M. J. S.; Jie, C. X.; Yu, J. G. Tetrahedron 1993, 49, 5003.
31. Holder, A. J.; Dennington, R. D.; Jie, C. Tetrahedron 1994, 50, 627.
32. Furche, F.; Rappoport, D. Density functional methods for excited states: equilibrium structure and electronic spectra; Olivucci, M., Ed.; Elsevier: Amsterdam, 2005.
33. Talbot, F. O.; Tabarin, T.; Antoine, R.; Broyer, M.; Dugourd, P. J. Chem. Phys. 2005, 122, 074310.
34. Clemmer, D. E. Collision cross section database. http://www.indiana.edu/ ~clemmer/Research/cross%20section%20database/Peptides/misc-peptide-cs.htm (accessed 2009).
35. Revercomb, H. E.; Mason, E. A. Anal. Chem. 1975, 47, 970.
36. Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1985, 107, 3902.
37. Kayi, H.; Clark, T. J. Mol. Model. 2007, 13, 965.
38. Perdew, J. P. Phys. Rev. B 1986, 33, 8822.
39. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
40. Schafer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829.
41. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
42. Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
43. Peach, M. J. G.; Benfield, P.; Helgaker, T.; Tozer, D. J. J. Chem. Phys. 2008, 128.
44. von Helden, G.; Wyttenbach, T.; Bowers, M. T. Int. J. Mass Spectrom. 1995, 146, 349.
45. Creighton, T. E. Proteins; W.H. Freeman and Company: New York, 1993.
46. Boyarkin, O. V.; Mercier, S. R.; Kamariotis, A.; Rizzo, T. R. J. Am. Chem. Soc. 2006, 128, 2816.
47. Gregoire, G.; Jouvet, C.; Dedonder, C.; Sobolewski, A. L. J. Am. Chem. Soc. 2007, 129, 6223.
48. Tabarin, T.; Kulesza, A.; Antoine, R.; Mitric, R.; Broyer, M.; Dugourd, P.; Bonacic-Koutecký, V. Phys. Rev. Lett. 2008, 101, 213001.