Barrierless proton transfer within short protonated peptides in the presence of water bridges. A density functional theory study

Journal of Physical Chemistry B

Volumn 115, Issue 6, 2011, Pages 1485-1490

  Chen, Po Tuan ^a,b,c,d   Wang, Chia Ching ^a   Jiang, Jyh Chiang ^a   Wang, Hsi Kai ^a   Hayashi, Michitoshi ^c  

^a NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Taiwan)

^b NATIONAL CENTRAL UNIVERSITY   (Taiwan)

^c ACADEMIA SINICA   (Taiwan)

^d NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONYLATION; OXYGEN; PROTON TRANSFER; PROTONATION;

A-DENSITY; CARBONYL OXYGEN ATOMS; PRESENCE OF WATER; PROTON-TRANSFER MECHANISM; PROTONATED; PROTONATED PEPTIDES; TRANSFER PATHWAY; TRANSITION STATE; WATER BRIDGES;

DENSITY FUNCTIONAL THEORY;

EID: 79951546201     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp107219r     Document Type: Article

References (32)

1. Bountis, T., Ed. Proton Transfer in Hydrogen-Bonded Systems; NATO ASI Series B: Physics; Plenum Press: New York, 1992; Vol. 291, pp 1 - 355.
2. Hur, O.; Niks, D; Casino, P.; Casino, P.; Dunn, M. F. Biochemistry 2002, 41, 9991
3. Tomashek, J. J.; Brusilow, W. S. A. J. Bioenerg. Biomembr. 2000, 32, 493
4. Senior, A. E. Annu. Rev. Biophys. Biophys. Chem. 1990, 19, 7
5. Marx, D. ChemPhysChem 2006, 7, 1848
6. Zwier, T. S. Science 2004, 304, 1119
7. Headrick, J. M.; Diken, E. G.; Walters, R. S.; Hammer, N. I.; Christie, R. S.; Cui, J.; Myshakin, E. M.; Duncan, M. A.; Johnson, M. A.; Jordan, K. D. Science 2005, 308, 1765
8. Eigen, M. Angew. Chem., Int. Ed. 1964, 3, 1
9. Zundel, G.; Metzer, H. Z. Phys. Chem. 1968, 58, 225
10. Marx, D.; Tuckerman, M. E.; Hutter, J.; Parrinello, M. Nature 1999, 397, 601
11. Vendrell, O.; Meyer, H. D. J. Chem. Phys. 2005, 122, 104505
12. McCormack, A. L.; Somogyi, A. Â.; Dongre, Â. A. R.; Wysocki, V. H. Anal. Chem. 1993, 65, 2859
13. Somogyi, A. Â.; Wysocki, V. H.; Mayer, I. J. Am. Soc. Mass Spectrum. 1994, 5, 704
14. Rodriquez, C. F.; Cunje, A.; Shoeib, T.; Chu, I. K.; Hopkinson, A. C.; Siu, K. W. M. J. Am. Chem. Soc. 2001, 123, 3006
15. Papayannopoulous, I. A. Mass Spectrom. Rev. 1995, 14, 49
16. Paizs, B.; Csonka, I. P.; Lendvay, G.; Suhai, S. Rapid Commun. Mass Spectrom. 2001, 15, 637
17. Li, P.; Bu, Y. J. Phys. Chem. B 2004, 108, 18088
18. Kulhanek, P.; Schlag, E. W.; Koca, J. J. Phys. Chem. A 2003, 107, 5789
19. Kulhanek, P.; Schlag, E. W.; Koca, J. J. Am. Chem. Soc. 2003, 125, 13678
20. Garczarek, F.; Gerwert, K. Nature 2006, 439, 109
21. Garczarek, F.; Brown, L. S.; Lanyi, J. K.; Gerwert, K. Proc. Natl Acad. Sci. U.S.A. 2005, 102, 3633
22. Rousseau, R.; Kleinschmidt, V.; Schmitt, U. W.; Marx, D. Angew. Chem., Int. Ed. Engl. 2004, 43, 4804
23. Hayashi, S.; Ohmine, I. J. Phys. Chem. B 2000, 104, 10678
24. Rodriquez, C. F.; Cunje, A.; Shoeib, T.; Chu, I. K.; Hopkinson, A. C.; Siu, K. W. M. J. Phys. Chem. A 2000, 104, 5023
25. Sun, Y.; Li, H.; Liang, W.; Han, S. J. Phys. Chem. B 2005, 109, 5919
26. Christine, M. A.; Mark, S. G. J. Am. Chem. Soc. 2006, 128, 12835
27. Pal, S. K.; Zewail, A. H. Chem. Rev. 2004, 104, 2099
28. Fu, A.-P.; Li, H.; Du, D.; Zhou, Z. Chem. Phys. Lett. 2003, 382, 332
29. Kim, K.; Lim, S.; Kim, H. J.; Kim, Y. J. Phys. Chem. A 1999, 103, 617
30. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 03, Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
31. Becke, A. D. J. Chem. Phys. 1993, 98, 5648
32. Zhang, K.; Cassady, C. J.; Chung-Phillips, A. J. Am. Chem. Soc. 1994, 116, 11512