Determination of the activation energy for unimolecular dissociation of a non-covalent gas-phase peptide: Substrate complex by infrared multiphoton dissociation fourier transform ion cyclotron resonance mass spectrometry

Journal of the American Society for Mass Spectrometry

Volumn 14, Issue 11, 2003, Pages 1282-1289

  Schäfer, Mathias ^a   Schmuck, Carsten ^b   Heil, Martin ^b   Cooper, Helen J ^c,d   Hendrickson, Christopher L ^c,e   Chalmers, Michael J ^c   Marshall, Alan G ^c,e  

^a UNIVERSITY OF COLOGNE   (Germany)

^b UNIVERSITY OF WÜRZBURG   (Germany)

^c FLORIDA STATE UNIVERSITY   (United States)

^d UNIVERSITY OF BIRMINGHAM   (United Kingdom)

^e FLORIDA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; CARBON DIOXIDE; DISSOCIATION; INFRARED RADIATION; MASS SPECTROMETRY; PHOTONS; RATE CONSTANTS; SUPRAMOLECULAR CHEMISTRY;

LASER POWER DENSITY;

ORGANIC COMPOUNDS;

GUANIDINE DERIVATIVE; N ACETYLVALYLVALYLISOLEUCYLALANINE; PYRROLE DERIVATIVE; TETRAPEPTIDE; UNCLASSIFIED DRUG;

MASS SPECTROMETRY;

ARTICLE; CALCULATION; CARBON DIOXIDE LASER; COVALENT BOND; DENSITY; DISSOCIATION; DISSOCIATION CONSTANT; ENERGY; GAS; INFRARED SPECTROSCOPY; ION CYCLOTRON RESONANCE MASS SPECTROMETRY; LIGHT; MASS SPECTROMETER; MASS SPECTROMETRY; MOLECULAR DYNAMICS; PEPTIDE ANALYSIS; SUPRAMOLECULAR CHEMISTRY;

EID: 0142164887     PISSN: 10440305     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1044-0305(03)00576-2     Document Type: Article

References (67)

1. http://www.nobel.se/chemistry/laureates/2002/index.html.
2. Loo J.A. Studying Non-Covalent Protein Complexes by Electrospray Ionization Mass Spectrometry. Mass Spectrom. Rev. 16:1997;1-23.
3. Beck J.L., Colgrave M.L., Ralph S.F., Sheil M.M. Electrospray Ionization Mass Spectrometry of Oligonucleotide Complexes with Drugs, Metals, and Proteins. Mass Spectrom. Rev. 20:2001;61-87.
4. Hofstadler S.A., Griffey R.H. Analysis of Non-Covalent Complexes of DNA and RNA by Mass Spectrometry. Chem. Rev. 101:2001;377-390.
5. Schwartz B.L., Bruce J.E., Anderson G.A., Hofstadler S.A., Rockwood A.L., Smith R.D., Chilkoti A., Stayton P.S. Dissociation of Tetrameric Ions of Non-Covalent Streptavidin Complexes Formed by Electrospray-Ionization. J. Am. Soc. Mass Spectrom. 6:1995;459-465.
6. Cheng X., Chen R., Bruce J.E., Schwartz B.L., Anderson G.A., Hofstadler S.A., Gale G.C., Smith R.D. Using Electrospray Ionization FTICR Mass Spectrometry to Study Competitive Binding of Inhibitors to Carbonic Anhydrase. J. Am. Chem. Soc. 117:1995;8859-8860.
7. Wigger, M. Li, W. Watson, C. H. Eyler, J. R. Marshall, A. G. Benner, S. Screening SH2 Domains with Combinatorial Peptide Libraries via Non-covalent Complexes with Electrospray Ionization-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Proceedings of the 46th ASMS Conference Mass Spectrometry and Allied Topics; Orlando, FL, 1998; p 1142.
8. Versluis C., van der Staaij A., Stokvis E., Heck A.J.R., de Craene B. Metastable Ion Formation and Disparate Charge Separation in the Gas-Phase Dissection of Protein Assemblies Studied by Orthogonal Time-of-Flight Mass Spectrometry. J. Am. Soc. Mass Spectrom. 12:2001;329-336.
9. Pramanik B.N., Bartner P.L., Mirza U.A., Liu Y.H., Ganguly A.K. Electrospray Ionization Mass Spectrometry for the Study of Non-Covalent Complexes An Emerging Technology . J. Mass Spectrom. 33:1998;911-920.
10. Veenstra T.D. Electrospray Ionization Mass Spectrometry A Promising New Technique in the Study of Protein/DNA Non-Covalent Complexes . Biochem. Biophys. Res. Commun. 257:1999;1-5.
11. Jorgensen T.J.D., Roepstorff P., Heck A.J.R. Direct Determination of Solution Binding Constants for Non-Covalent Complexes Between Bacterial Cell Wall Peptide Analogues and Vancomycin Group Antibiotics by Electrospray Ionization Mass Spectrometry. Anal. Chem. 70:1998;4427-4432.
12. Schalley C.A. Molecular Recognition and Supramolecular Chemistry in the Gas Phase. Mass Spectrom. Rev. 20:2001;253-309.
13. Williams E.R. Tandem FTMS of Large Biomolecules. Anal. Chem. 70:1998;179A-185A.
14. +) ions (X = H, Li, Na, K, and Rb) Measured by Blackbody Infrared Radiative Dissociation. J. Am. Soc. Mass Spectrom. 8:1997;771-780.
15. n) (n =6 - 8), Obtained by Blackbody Infrared Radiative Dissociation. J. Am. Chem. Soc. 120:1998;5842-5843.
16. Price W.D., Jockusch R.A., Williams E.R. Binding Energies of Protonated Betaine Complexes A Probe of Zwitterion Structure in the Gas Phase . J. Am. Chem. Soc. 120:1998;3474-3484.
17. Gross D.S., Zhao Y.X., Williams E.R. Dissociation of Heme-Globin Complexes by Blackbody Infrared Radiative Dissociation Molecular Specificity in the Gas Phase? J. Am. Soc. Mass Spectrom. 8:1997;519-524.
18. Schmuck C. Highly Stable Self-Association of 5-(Guanidiniocarbonyl)-1H- Pyrrole-2-Carboxylate in DMSO - the Importance of Electrostatic Interactions. Eur. J. Org. Chem. 1999;2397-2403.
19. Schmuck C. Self-assembly of 2-(Guanidiniocarbonyl)-Pyrrole-4-Carboxylate in Dimethyl Sulfoxide An Entropy Driven Oligomerization . Tetrahedron. 57:2001;3063-3067.
20. Affeld A., Hubner G.M., Seel C., Schalley C.A. Rotaxane or Pseudorotaxane? Effects of Small Structural Variations on the Deslipping Kinetics of Rotaxanes with Stopper Groups of Intermediate Size. Eur. J. Org. Chem. 2001;2877-2890.
21. Schmuck C. Carboxylate binding by 2-(Guanidiniocarbonyl)Pyrrole Receptors in Aqueous Solvents Improving the Binding Properties of Guanidinium Cations Through Additional Hydrogen Bonds . Chem. Eur. J. 6:2000;709-718.
22. Schmuck C. Side Chain Selective Binding of N-Acetyl-α-Amino Acid Carboxylates by a 2-(Guanidiniocarbonyl)Pyrrole Receptor in Aqueous Solvents. Chem. Commun. 9:1999;843-844.
23. Peczuh M.W., Hamilton A.D. Peptide and Protein Recognition by Designed Molecules. Chem. Rev. 100:2000;2479-2493.
24. Schneider H.J. Modelle für Peptidrezeptoren. Angew. Chem. 105:1993;890-892.
25. Webb T.H., Wilcox C.S. Enantioselective and Diastereoselective Molecular Recognition of Neutral Molecules. Chem. Soc. Rev. 22:1993;383-395.
26. Kurosinski P., Guggisberg M., Gotz J. Alzheimer's and Parkinson's Disease - Overlapping or Synergistic Pathologies? Trends Mol. Med. 8:2002;3-5.
27. Dumery L., Bourdel F., Soussan Y., Fialkowsky A., Viale S., Nicolas P., Reboud-Ravaux M. β-Amyloid Protein Aggregation Its Implication in the Physiopathology of Alzheimer's Disease . Pathol. Biol. 49:2001;72-85.
28. Knight R. Creutzfeldt-Jakob Disease A protein Disease . Proteomics. 1:2001;763-766.
29. Edenhofer F., Weiss S., Winnacker E.L., Famulok M. Chemistry and Molecular Biology of Transmissible Spongiform Encephalopathies. Angew. Chem. Int. Ed. Engl. 36:1997;1675-1694.
30. Schmuck C., Heil M. Using Combinatorial Methods to Arrive at a Quantitative Structure-Stability Relationship for a New Class of One-Armed Cationic Peptide Receptors Targeting the C-Terminus of the Amyloid β-Peptide. Org. Biomol. Chem. 1:2003;633-636.
31. Rodgers M.T., Armentrout P.B. Non-Covalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation. Mass Spectrom. Rev. 19:2000;215-247.
32. Williams, E. R. Jurchen, J. C. On the Dissociation of Large Non-Covalent Complexes. Proceedings of the 50th ASMS Conference on Mass Spectrometry and Allied Topics; Orlando, FL, 2002.
33. Freitas M.A., Hendrickson C.L., Marshall A.G. Gas Phase Activation Energy for Unimolecular Dissociation of Biomolecular Ions Determined by Focused Radiation for Gaseous Multiphoton Energy Transfer (FRAGMENT). Rapid Commun. Mass Spectrom. 13:1999;1639-1642.
34. Marshall A.G., Hendrickson C.L., Jackson G.S. Fourier Transform Ion Cyclotron Resonance Mass Spectrometry A Primer . Mass Spectrom. Rev. 17:1998;1-35.
35. Dunbar R.C., McMahon T.B. Activation of Unimolecular Reactions by Ambient Blackbody Radiation. Science. 279:1998;194-197.
36. Jockusch R.A., Schnier P.D., Price W.D., Strittmatter E.F., Demirev P.A., Williams E.R. Effects of Charge State on Fragmentation Pathways, Dynamics, and Activation Energies of Ubiquitin Ions Measured by Blackbody Infrared Radiative Dissociation. Anal. Chem. 69:1997;1119-1126.
37. Ge Y., Horn D.M., McLafferty F.W. Blackbody Infrared Radiative Dissociation of Larger (42 kDa) Multiply Charged Proteins. Int. J. Mass Spectrom. 210:2001;203-214.
38. Price W.D., Williams E.R. Activation of Peptide Ions by Blackbody Radiation Factors that Lead to Dissociation Kinetics in the Rapid Energy Exchange Limit . J. Phys. Chem. A. 101:1997;8844-8852.
39. Little D.P., Speir J.P., Senko M.W., Oconnor P.B., McLafferty F.W. Infrared Multiphoton Dissociation of Large Multiply-Charged Ions for Biomolecule Sequencing. Anal. Chem. 66:1994;2809-2815.
40. Hakansson K., Cooper H.J., Emmett M.R., Costello C.E., Marshall A.G., Nilsson C.L. Electron Capture Dissociation and Infrared Multiphoton Dissociation MS/MS of an N-Glycosylated Tryptic Peptide to Yield Complementary Sequence Information. Anal. Chem. 73:2001;4530-4536.
41. Stephenson J.L., Booth M.M., Shalosky J.A., Eyler J.R., Yost R.A. Infrared Multiple-Photon Dissociation in the Quadrupole Ion-Trap Via a Multipass Optical Arrangement. J. Am. Soc. Mass Spectrom. 5:1994;886-893.
42. Hakansson. K. Chalmers. M. J. Quinn. J. P. McFarland, M. A. Hendrickson. C. L. Marshall. A. G. Combined Electron Capture and Infrared Multiphoton Dissociation for Multistage MS/MS in an FT-ICR Mass Spectrometer. Anal. Chem2003[in press].
43. Gauthier J.W., Trautman T.R., Jacobson D.B. Sustained Off-Resonance Irradiation for CAD Involving FTMS. CAD Technique that Emulates Infrared Multiphoton Dissociation. Anal. Chim. Acta. 246:1991;211-225.
44. Freitas M.A., Hendrickson C.L., Marshall A.G. Determination of Relative Ordering of Activation Energies for Gas-Phase Ion Unimolecular Dissociation by Infrared Radiation for Gaseous Multiphoton Energy Transfer. J. Am. Chem. Soc. 122:2000;7768-7775.
45. Paech K., Jockusch R.A., Williams E.R. Slow Infrared Laser Dissociation of Molecules in the Rapid Energy Exchange Lmit. J. Phys. Chem. A. 106:2002;9761-9766.
46. Dunbar R.C. Kinetics of Low-Intensity Infrared-Laser Photodissociation - the Thermal-Model and Application of the Tolman Theorem. J. Chem. Phys. 95:1991;2537-2548.
47. Uechi G.T., Dunbar R.C. The Kinetics of Infrared-Laser Photodissociation of Normal Butylbenzene Ions at Low-Pressure. J. Chem. Phys. 96:1992;8897-8905.
48. Dunbar R.C. Kinetics of Thermal Unimolecular Dissociation by Ambient Infrared Radiation. J. Phys. Chem. 98:1994;8705-8712.
49. Jockusch R.A., Paech K., Williams E.R. Energetics from Slow Infrared Multiphoton Dissociation of Biomolecules. J. Phys. Chem. A. 104:2000;3188-3196.
50. +, (X = H, Na, K, Cs). Proceedings 50th ASMS Conference on Mass Spectrometry and Allied Topics; Orlando, FL, 2002.
51. Senko M.W., Hendrickson C.L., Pasa-Tolic L., Marto J.A., White F.M., Guan S., Marshall A.G. Electrospray Ionization FT-ICR Mass Spectrometry at 9.4 Tesla. Rapid Commun. Mass Spectrom. 10:1996;1824-1828.
52. Hendrickson, C. L. Quinn, J. P.; Emmett, M. R.; Marshall, A. G. Quadrupole Mass Filtered External Accumulation for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Proceedings of the 48th ASMS Conference on Mass Spectrometry and Allied Topics; Long Beach, CA, 2000.
53. Hendrickson, C. L.; Quinn, J. P.; Emmett, M. R.; Marshall, A. G. Mass-Selective External Ion Accumulation for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. Proceedings of the 49th ASMS Conference on Mass Spectrometry and Allied Topics; Chicago, IL, 2001.
54. Emmett M.R., Caprioli R.M. Micro-Electrospray Mass Spectrometry Ultra-High-Sensitivity Analysis of Peptides and Proteins . J. Am. Soc. Mass Spectrom. 5:1994;605-613.
55. Quinn, J. P. Emmett, M. R. Marshall, A. G. A Device for Fabrication of Emitters for Low-flow Electrospray Ionization. Proceedings 46th ASMS Conference on Mass Spectrometry and Allied Topics; Orlando, FL, 1998; pp 1388-1388.
56. Chowdhury S.K., Katta V., Chait B.T. An Electrospray-Ionization Mass Spectrometer with New Features. Rapid Commun. Mass Spectrom. 4:1990;81-87.
57. Senko M.W., Hendrickson C.L., Emmett M.R., Shi S.D.H., Marshall A.G. External Accumulation of Ions for Enhanced Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. J. Am. Soc. Mass Spectrom. 8:1997;970-976.
58. Beu S.C., Laude D.A. Jr. Open Trapped Ion Cell Geometries for FT/ICR/MS. Int. J. Mass Spectrom. Ion Processes. 112:1992;215-230.
59. Marshall A.G., Wang T.-C.L., Ricca T.L. Tailored Excitation for Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. J. Am. Chem. Soc. 107:1985;7893-7897.
60. Guan S., Marshall A.G. Stored Waveform Inverse Fourier Transform (SWIFT) Ion Excitation in Trapped-ion Mass Spectrometry Theory and Applications . Int. J. Mass Spectrom. Ion Processes. 157/158:1996;5-37.
61. Comisarow M.B., Marshall A.G. Frequency-Sweep Fourier Transform Ion Cyclotron Resonance Spectroscopy. Chem. Phys. Lett. 26:1974;489-490.
62. Marshall A.G., Roe D.C. Theory of Fourier Transform Ion Cyclotron Resonance Mass Spectroscopy Response to Frequency-Sweep Excitation . J. Chem. Phys. 73:1980;1581-1590.
63. Senko M.W., Canterbury J.D., Guan S., Marshall A.G. A High-Performance Modular Data System for FT-ICR Mass Spectrometry. Rapid Commun. Mass Spectrom. 10:1996;1839-1844.
64. Wysocki V.H., Tsaprailis G., Smith L.L., Breci L.A. Special Feature Commentary - Mobile and Localized Protons: A Framework for Understanding Peptide Dissociation . J. Mass Spectrom. 35:2000;1399-1406.
65. Polce M.J., Ren D., Wesdemiotis C. Special Feature Commentary - Dissociation of the Peptide Bond in Protonated Peptides . J. Mass Spectrom. 35:2000;1391-1398.
66. Harrison A.G. The Gas-Phase Basicities and Proton Affinities of Amino Acids and Peptides. Mass Spectrom. Rev. 16:1997;201-217.
67. McLuckey S.A., Goeringer D.E. Slow Heating Methods in Tandem Mass Spectrometry. J. Mass Spectrom. 32:1997;461-474.