Intermolecular potential to represent collisions of protonated peptide ions with fluorinated alkane surfaces

Journal of Physical Chemistry B

Volumn 109, Issue 17, 2005, Pages 8320-8324

  Wang, Jiangping ^a   Hase, William L ^b  

^a WAYNE STATE UNIVERSITY   (United States)

^b TEXAS TECH UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANE SURFACE; FUNCTIONAL GROUPS; INTERMOLECULAR POTENTIAL; PROTONATED PEPTIDES;

ENERGY TRANSFER; FLUORINE COMPOUNDS; HYDROGENATION; MOLECULAR VIBRATIONS; PARAFFINS; SURFACE PROPERTIES;

POLYPEPTIDES;

ALKANE; FLUORINE; HYDROGEN; ION; PEPTIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; ENERGY TRANSFER; HYDROGENATION; METHODOLOGY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; SURFACE PROPERTY;

ALKANES; CHEMISTRY, PHYSICAL; ENERGY TRANSFER; FLUORINE; HYDROGEN; HYDROGENATION; IONS; MODELS, CHEMICAL; MODELS, STATISTICAL; PEPTIDES; SOFTWARE; SURFACE PROPERTIES;

EID: 18844429256     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046581m     Document Type: Article

References (44)

1. Mabud, Md. A.; Dekrey, M. J.; Cooks, R. G. Int. J. Mass Spectrom. Ion Processes 1985, 67, 285.
2. McCormack, A. L.; Somogyi, A.; Dongré, A. R.; Wysocki, V. H. Anal. Chem. 1993, 65, 2859.
3. Burroughs, J. A.; Wainhaus, S. B.; Hanley, L. J. Phys. Chem. 1994, 98, 10913.
4. Kubixclsta, J.; Dolejxclsek, Z.; Herman, Z. Eur. Mass Spectrom. 1998, 4, 311.
5. Laskin, J.; Densiov, E.; Futrell, J. J. Am. Chem. Soc. 2000, 122, 9703.
6. Lodish, H.; Berk, A.; Zipursky, L. S.; Matsudaira, P.; Baltimore, D.; Darnell, J. Molecular Cell Biology, 4th ed.; Freeman: New York, 2000.
7. Jones, J. L.; Dongré, A. R.; Somogyi, A.; Wysocki, V. H. J. Am. Chem. Soc. 1994, 116, 8368.
8. Meot-Ner (Mautner), M.; Dongré, A. R.; Somogyi, A.; Wysocki, V. H. Rapid Commun. Mass. Spectrom. 1995, 9, 829.
9. Dongré, A. R.; Jones, J. L.; Somogyi, A.; Wysocki, V. H. J. Am. Chem. Soc. 1996, 118, 8365.
10. Nair, H.; Wysocki, V H. Int. J. Mass Spectrom. Ion Processes 1998, 174, 95.
11. Tsaprailis, G., Nair, H.; Somogyi, A.; Wysocki, V. H.; Zhang, W.; Futrell, J. H.; Summerfield, S. G.; Gaskell, S. J. J. Am. Chem. Soc. 1999, 121, 5142.
12. Wysocki, V. H.; Tsaprailis, G.; Smith, L. L.; Breci, L. A. J. Mass Spectrom. 2000, 35, 1399.
13. Laskin, J.; Denisov, E.; Futrell, J. H. J. Phys. Chem. B 2001, 105, 1895.
14. Laskin, J.; Futrell, J. H. J. Chem. Phys. 2003, 119, 3413.
15. Laskin, J.; Bailey, T. H.; Futrell, J. H. J. Am. Chem. Soc. 2003, 125, 1625.
16. Bosio, S. B. M.; Hase, W. L., Int. J. Mass Spectrom. Ion Processes 1998, 174, 1.
17. Meroueh, O.; Hase, W. L. Phys. Chem. Chem. Phys. 2001, 3, 2306.
18. Meroueh, O.; Hase, W. L. J. Am. Chem. Soc. 2002, 124, 1524.
19. Meroueh, O.; Wang, Y.; Hase, W. L. J. Phys. Chem. A 2002, 106, 9983.
20. Meroueh, O.; Song, K.; Hase, W. L. J. Phys. Chem. A 2003, 118, 2893.
21. Wang, J.; Wang, Y.; Meroueh, S. O.; Hase, W. L. Int. J. Mass Spectrom. 2003, 230, 57.
22. Wang, Y.; Song, K.; Hase, W. L. J. Am. Soc. Mass Spectrom. 2003, 14, 1402.
23. Baer, T.; Hase, W. L. Unimolecular Reaction Dynamics. Theory and Experiments; Oxford: New York, 1996; p 171.
24. Morris, M. R.; Riederer, D. E., Jr.; Winger, B. E.; Cooks, R. G.; Ast, T.; Chidsey, C. E. D. Int. J. Mass Spectrom. Ion Processes 1992, 122, 181.
25. Cohen, S. R.; Naaman, R.; Sagiv, J. Phys. Rev. Lett. 1987, 58, 1208.
26. Vékey, K.; Somogyi, A.; Wysocki, V. J. Mass Spectrom. 1995, 30, 212.
27. de Maaijer-Gielbert, J.; Somogyi, A.; Wysocki, V. H.; Kistemaker, P. G.; Weeding, T. L. Int. J. Mass Spectrom. Ion Processes 1998, 174, 81.
28. Smith, D. L.; Wysocki, V. H.; Colorado, Jr., R.; Shmakova, O. E.; Graupe, M.; Lee, T. R. Langmuir 2002, 18, 3895.
29. Meroueh, O.; Hase, W. L. J. Phys. Chem. A 1999, 103, 3981.
30. van Duijneveldt, F. B. In Basis Set Superposition Error, Schreiner, S., Ed.; Wiley: West Sussex, U.K., 1997; p 81.
31. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553.
32. Duijneveldt, F. B. v; Duijneveldt, H. G. C. v; Rijdt, J. H. D. Chem. Rev. 1994, 94, 1873.
33. Newton, M. D.; Kestner, N. R. Chem. Phys. Lett. 1983, 94, 198.
34. Xantheas, S. S. J. Chem. Phys. 1996, 104, 1873.
35. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; 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.; Peterson, 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.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Comperts, R.; Martin, R. L.; Fox, D. J.; Heith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98 and Revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
36. Straatsma, T. P.; Aprà, E.; Windus, T. L.; et al. NWCHEM, A computational chemistry package for parallel computers, Version 4.6; Pacific Northwest National Laboratory: Richland, Washington, 2004.
37. Hautman, J.; Bareman, J. P.; Mar, W.; Klein, M. L. J. Chem. Soc., Faraday Trans. 1991, 87, 2031.
38. Bolton, K.; Bosio, S. B. M.; Hase, W. L.; Schneider, W. F., Hass, K. C. J. Phys. Chem. B 1999, 103, 3885.
39. Cui, S. T.; Siepmann, J. I.; Cochran, H. D.; Cummings, P. T. Fluid Phase Equilib. 1998, 146, 51.
40. Wilson, E. B., Jr.; Decius, J. C.; Cross, P. C. Molecular Vibrations; McGraw-Hill: New York, 1955; p 285.
41. Mahan, B. H. J. Chem. Phys. 1970, 52, 5221.
42. Yardley, J. T. Introduction to Molecular Energy Transfer, Academic Press: New York, 1980; pp 95-129.
43. Shin, H. K. In Dynamics of Molecular Collisions; Miller, W. H., Ed.; Plenum: New York, 1976; Part A, Chapter 4.
44. Wang, J.; Mazyar, O. A.; Hase, W. L. Research in progress.