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Volumn 118, Issue 11, 2014, Pages 2985-2992

On the viability of heterolytic peptide N-Cα bond cleavage in electron capture and transfer dissociation mass spectrometry

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; HYDROGEN BONDS; MASS SPECTROMETRY; MOLECULAR DYNAMICS;

EID: 84897585683     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp500512a     Document Type: Article
Times cited : (8)

References (49)
  • 1
    • 0000944563 scopus 로고    scopus 로고
    • Electron Capture Dissociation of Multiply Charged Protein Cations. A Nonergodic Process
    • Zubarev, R. A.; Kelleher, N. L.; McLafferty, F. W. Electron Capture Dissociation of Multiply Charged Protein Cations. A Nonergodic Process J. Am. Chem. Soc. 1998, 120, 3265-3266
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 3265-3266
    • Zubarev, R.A.1    Kelleher, N.L.2    McLafferty, F.W.3
  • 2
    • 0038610834 scopus 로고    scopus 로고
    • Reactions of Polypeptide Ions with Electrons in the Gas Phase
    • Zubarev, R. Reactions of Polypeptide Ions with Electrons in the Gas Phase Mass Spectrom. Rev. 2003, 22, 57-77
    • (2003) Mass Spectrom. Rev. , vol.22 , pp. 57-77
    • Zubarev, R.1
  • 4
    • 84877780038 scopus 로고    scopus 로고
    • Principles of Electron Capture and Transfer Dissociation Mass Spectrometry Applied to Peptide and Protein Structure Analysis
    • Zhurov, K. O.; Fornelli, L.; Wodrich, M. D.; Laskay, U. A.; Tsybin, Y. O. Principles of Electron Capture and Transfer Dissociation Mass Spectrometry Applied to Peptide and Protein Structure Analysis Chem. Soc. Rev. 2013, 42, 5014-5030
    • (2013) Chem. Soc. Rev. , vol.42 , pp. 5014-5030
    • Zhurov, K.O.1    Fornelli, L.2    Wodrich, M.D.3    Laskay, U.A.4    Tsybin, Y.O.5
  • 6
  • 7
    • 14744299376 scopus 로고    scopus 로고
    • The Role of Electron Capture Dissociation in Biomolecular Analysis
    • Cooper, H. J.; Hakansson, K.; Marshall, A. G. The Role of Electron Capture Dissociation in Biomolecular Analysis Mass Spectrom. Rev. 2005, 24, 201-222
    • (2005) Mass Spectrom. Rev. , vol.24 , pp. 201-222
    • Cooper, H.J.1    Hakansson, K.2    Marshall, A.G.3
  • 8
    • 13244249515 scopus 로고    scopus 로고
    • Deamidation: Differentiation of Aspartyl from Isoaspartyl Products in Peptides by Electron Capture Dissociation
    • Cournoyer, J. J.; Pittman, J. L.; Ivleva, V. B.; Fallows, E.; Waskell, L.; Costello, C. E.; O'Connor, P. B. Deamidation: Differentiation of Aspartyl from Isoaspartyl Products in Peptides by Electron Capture Dissociation Protein Sci. 2005, 14, 452-463
    • (2005) Protein Sci. , vol.14 , pp. 452-463
    • Cournoyer, J.J.1    Pittman, J.L.2    Ivleva, V.B.3    Fallows, E.4    Waskell, L.5    Costello, C.E.6    O'Connor, P.B.7
  • 9
    • 33845949572 scopus 로고    scopus 로고
    • Quantitating the Relative Abundance of Isoaspartyl Residues in Deamidated Proteins by Electron Capture Dissociation
    • Cournoyer, J. J.; Lin, C.; Bowman, M. J.; O'Connor, P. B. Quantitating the Relative Abundance of Isoaspartyl Residues in Deamidated Proteins by Electron Capture Dissociation J. Am. Soc. Mass Spectrom. 2007, 18, 48-56
    • (2007) J. Am. Soc. Mass Spectrom. , vol.18 , pp. 48-56
    • Cournoyer, J.J.1    Lin, C.2    Bowman, M.J.3    O'Connor, P.B.4
  • 10
    • 0346947012 scopus 로고    scopus 로고
    • Model Calculations Relevant to Disulfide Bond Cleavage via Electron Capture Influenced by Positively Charged Groups
    • Sawicka, A.; Skurski, P.; Hudgins, R. R.; Simons, J. Model Calculations Relevant to Disulfide Bond Cleavage via Electron Capture Influenced by Positively Charged Groups J. Phys. Chem. B 2003, 107, 13505-13511
    • (2003) J. Phys. Chem. B , vol.107 , pp. 13505-13511
    • Sawicka, A.1    Skurski, P.2    Hudgins, R.R.3    Simons, J.4
  • 11
    • 13444274623 scopus 로고    scopus 로고
    • Toward a General Mechanism of Electron Capture Dissociation
    • Syrstad, E. A.; Turecek, F. Toward a General Mechanism of Electron Capture Dissociation J. Am. Soc. Mass Spectrom. 2005, 16, 208-224
    • (2005) J. Am. Soc. Mass Spectrom. , vol.16 , pp. 208-224
    • Syrstad, E.A.1    Turecek, F.2
  • 13
    • 84883891249 scopus 로고    scopus 로고
    • and references cited therein for further discussions
    • Some experimental studies have cast doubt about the Uppsala mechanism. See: Turecek, F.; Julian, R. R. Chem. Rev. 2013, 113, 6691-6733 and references cited therein for further discussions
    • (2013) Chem. Rev. , vol.113 , pp. 6691-6733
    • Turecek, F.1    Julian, R.R.2
  • 14
    • 84865972797 scopus 로고    scopus 로고
    • Heterolytic N-C(α) Bond Cleavage in Electron Capture and Transfer Dissociation of Peptide Cations
    • Wodrich, M. D.; Zhurov, K. O.; Vorobyev, A.; Ben Hamidane, H.; Corminboeuf, C.; Tsybin, Y. O. Heterolytic N-C(α) Bond Cleavage in Electron Capture and Transfer Dissociation of Peptide Cations J. Phys. Chem. B 2012, 116, 10807-10815
    • (2012) J. Phys. Chem. B , vol.116 , pp. 10807-10815
    • Wodrich, M.D.1    Zhurov, K.O.2    Vorobyev, A.3    Ben Hamidane, H.4    Corminboeuf, C.5    Tsybin, Y.O.6
  • 16
    • 84863362714 scopus 로고    scopus 로고
    • Assigning Structures to Gas-Phase Peptide Cations and Cation-Radicals. An Infrared Multiphoton Dissociation, Ion Mobility, Electron Transfer, and Computational Study of a Histidine Peptide Ion
    • Moss, C. L.; Chamot-Rooke, J.; Nicol, E.; Brown, J.; Campuzano, I.; Richardson, K.; Williams, J. P.; Bush, M. F.; Bythell, B.; Paizs, B. Assigning Structures to Gas-Phase Peptide Cations and Cation-Radicals. An Infrared Multiphoton Dissociation, Ion Mobility, Electron Transfer, and Computational Study of a Histidine Peptide Ion J. Phys. Chem. B 2012, 116, 3445-3456
    • (2012) J. Phys. Chem. B , vol.116 , pp. 3445-3456
    • Moss, C.L.1    Chamot-Rooke, J.2    Nicol, E.3    Brown, J.4    Campuzano, I.5    Richardson, K.6    Williams, J.P.7    Bush, M.F.8    Bythell, B.9    Paizs, B.10
  • 17
    • 0001616080 scopus 로고    scopus 로고
    • Replica-Exchange Molecular Dynamics Method for Protein Folding
    • Sugita, Y.; Okamoto, Y. Replica-Exchange Molecular Dynamics Method for Protein Folding Chem. Phys. Lett. 1999, 314, 141-151
    • (1999) Chem. Phys. Lett. , vol.314 , pp. 141-151
    • Sugita, Y.1    Okamoto, Y.2
  • 18
    • 0034864528 scopus 로고    scopus 로고
    • Generalized-Ensemble Algorithms for Molecular Simulations of Biopolymers
    • Mitsutake, A.; Sugita, Y.; Okamoto, Y. Generalized-Ensemble Algorithms for Molecular Simulations of Biopolymers Biopolymers 2001, 60, 96-123
    • (2001) Biopolymers , vol.60 , pp. 96-123
    • Mitsutake, A.1    Sugita, Y.2    Okamoto, Y.3
  • 19
    • 1642546396 scopus 로고    scopus 로고
    • Atomic Simulations of Protein Folding Using the Replica Exchange Algorithm
    • Nymeyer, H.; Gnanakaran, S.; García, A. E. Atomic Simulations of Protein Folding Using the Replica Exchange Algorithm Methods Enzymol. 2004, 383, 119-149
    • (2004) Methods Enzymol. , vol.383 , pp. 119-149
    • Nymeyer, H.1    Gnanakaran, S.2    García, A.E.3
  • 20
    • 18544381108 scopus 로고    scopus 로고
    • Modified Replica Exchange Simulation Methods for Local Structure Refinement
    • Cheng, X.; Cui, G.; Hornak, V.; Simmerling, C. Modified Replica Exchange Simulation Methods for Local Structure Refinement J. Phys. Chem. B 2005, 109, 8220-8230
    • (2005) J. Phys. Chem. B , vol.109 , pp. 8220-8230
    • Cheng, X.1    Cui, G.2    Hornak, V.3    Simmerling, C.4
  • 22
    • 35448937584 scopus 로고    scopus 로고
    • Optimization of Parameters for Semiempirical Methods V: Modification of NDDO Approximations and Application to 70 Elements
    • Stewart, J. J. P. Optimization of Parameters for Semiempirical Methods V: Modification of NDDO Approximations and Application to 70 Elements J. Mol. Model. 2007, 13, 1173-1213
    • (2007) J. Mol. Model. , vol.13 , pp. 1173-1213
    • Stewart, J.J.P.1
  • 23
    • 34247539565 scopus 로고    scopus 로고
    • Global Minimum Structure Searches via Particle Swarm Optimization
    • Call, S. T.; Zubarev, D. Y.; Boldyrev, A. I. Global Minimum Structure Searches via Particle Swarm Optimization J. Comput. Chem. 2007, 28, 1177-1186
    • (2007) J. Comput. Chem. , vol.28 , pp. 1177-1186
    • Call, S.T.1    Zubarev, D.Y.2    Boldyrev, A.I.3
  • 24
    • 0000189651 scopus 로고
    • Density-Functional Thermochemistry. III. The Role of Exact Exchange
    • Becke, A. D. Density-Functional Thermochemistry. III. The Role of Exact Exchange J. Chem. Phys. 1993, 98, 5648
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648
    • Becke, A.D.1
  • 25
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 26
    • 78149406253 scopus 로고    scopus 로고
    • A System-Dependent Density-Based Dispersion Correction
    • Steinmann, S. N.; Corminboeuf, C. A System-Dependent Density-Based Dispersion Correction J. Chem. Theory Comput. 2010, 6, 1990-2001
    • (2010) J. Chem. Theory Comput. , vol.6 , pp. 1990-2001
    • Steinmann, S.N.1    Corminboeuf, C.2
  • 27
    • 79551584281 scopus 로고    scopus 로고
    • A Generalized-Gradient Approximation Exchange Hole Model for Dispersion Coefficients
    • Steinmann, S. N.; Corminboeuf, C. A Generalized-Gradient Approximation Exchange Hole Model for Dispersion Coefficients J. Chem. Phys. 2011, 134, 044117
    • (2011) J. Chem. Phys. , vol.134 , pp. 044117
    • Steinmann, S.N.1    Corminboeuf, C.2
  • 28
    • 79955756660 scopus 로고    scopus 로고
    • A Density Dependent Dispersion Correction
    • Steinmann, S. N.; Corminboeuf, C. A Density Dependent Dispersion Correction Chimia 2011, 65, 240-244
    • (2011) Chimia , vol.65 , pp. 240-244
    • Steinmann, S.N.1    Corminboeuf, C.2
  • 29
    • 80755185211 scopus 로고    scopus 로고
    • Comprehensive Benchmarking of a Density-Dependent Dispersion Correction
    • Steinmann, S. N.; Corminboeuf, C. Comprehensive Benchmarking of a Density-Dependent Dispersion Correction J. Chem. Theory Comput. 2011, 3567-3577
    • (2011) J. Chem. Theory Comput. , pp. 3567-3577
    • Steinmann, S.N.1    Corminboeuf, C.2
  • 32
    • 62149146838 scopus 로고    scopus 로고
    • Electron Capture and Transfer Dissociation: Peptide Structure Analysis at Different Ion Internal Energy Levels
    • Ben Hamidane, H.; Chiappe, D.; Hartmer, R.; Vorobyev, A.; Moniatte, M.; Tsybin, Y. O. Electron Capture and Transfer Dissociation: Peptide Structure Analysis at Different Ion Internal Energy Levels J. Am. Soc. Mass Spectrom. 2009, 20, 567-575
    • (2009) J. Am. Soc. Mass Spectrom. , vol.20 , pp. 567-575
    • Ben Hamidane, H.1    Chiappe, D.2    Hartmer, R.3    Vorobyev, A.4    Moniatte, M.5    Tsybin, Y.O.6
  • 33
    • 33845928571 scopus 로고    scopus 로고
    • Hydrogen Rearrangement to and from Radical z Fragments in Electron Capture Dissociation of Peptides
    • Savitski, M. M.; Kjeldsen, F.; Nielsen, M. L.; Zubarev, R. A. Hydrogen Rearrangement to and from Radical z Fragments in Electron Capture Dissociation of Peptides J. Am. Soc. Mass Spectrom. 2007, 18, 113-120
    • (2007) J. Am. Soc. Mass Spectrom. , vol.18 , pp. 113-120
    • Savitski, M.M.1    Kjeldsen, F.2    Nielsen, M.L.3    Zubarev, R.A.4
  • 35
    • 84896299373 scopus 로고    scopus 로고
    • Ping-Pong Protons: How Hydrogen Bonding Networks Facilitate Heterolytic Bond Cleavages in Peptide Radical Cations
    • 10.1021/jp412123h
    • Zhurov, K. O.; Wodrich, M. D.; Corminboeuf, C.; Tsybin, Y. O. Ping-Pong Protons: How Hydrogen Bonding Networks Facilitate Heterolytic Bond Cleavages in Peptide Radical Cations J. Phys. Chem. B 2014, 10.1021/jp412123h
    • (2014) J. Phys. Chem. B
    • Zhurov, K.O.1    Wodrich, M.D.2    Corminboeuf, C.3    Tsybin, Y.O.4
  • 36
    • 0038634619 scopus 로고    scopus 로고
    • N-C(alpha) Bond Dissocation Energies and Kinetics in Amide and Peptide Radicals. Is the Dissociation a Non-ergodic Process?
    • Turecek, F. N-C(alpha) Bond Dissocation Energies and Kinetics in Amide and Peptide Radicals. Is the Dissociation a Non-ergodic Process? J. Am. Chem. Soc. 2003, 125, 5954-5963
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 5954-5963
    • Turecek, F.1
  • 37
    • 0038756506 scopus 로고    scopus 로고
    • Mechanism and Energetics of Intramolecular Hydrogen Transfer in Amide and Peptide Radicals and Cation Radicals
    • Turecek, F.; Syrstad, E. A. Mechanism and Energetics of Intramolecular Hydrogen Transfer in Amide and Peptide Radicals and Cation Radicals J. Am. Chem. Soc. 2003, 125, 3353-3369
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 3353-3369
    • Turecek, F.1    Syrstad, E.A.2
  • 38
    • 0035857240 scopus 로고    scopus 로고
    • Hydrogen Atom Adducts to the Amide Bond. Generation and Energetics of the Amino(hydroxy)methyl Radical in the Gas Phase
    • Syrstad, E. A.; Turecek, F. Hydrogen Atom Adducts to the Amide Bond. Generation and Energetics of the Amino(hydroxy)methyl Radical in the Gas Phase J. Phys. Chem. A 2001, 105, 11144-11155
    • (2001) J. Phys. Chem. A , vol.105 , pp. 11144-11155
    • Syrstad, E.A.1    Turecek, F.2
  • 40
    • 0038079857 scopus 로고    scopus 로고
    • Transient Hydrogen Atom Adducts to Disulfides. Formation and Energetics
    • Turecek, F.; Polasek, M.; Frank, A.; Sadilek, M. Transient Hydrogen Atom Adducts to Disulfides. Formation and Energetics J. Am. Chem. Soc. 2000, 122, 2361-2370
    • (2000) J. Am. Chem. Soc. , vol.122 , pp. 2361-2370
    • Turecek, F.1    Polasek, M.2    Frank, A.3    Sadilek, M.4
  • 41
    • 17644414992 scopus 로고    scopus 로고
    • Low-Energy (0.1 eV) Electron Attachment S-S Bond Cleavage Assisted by Coulomb Stabilization
    • Sawicka, A.; Berdys-Kochaska, J.; Skurski, P.; Simons, J. Low-Energy (0.1 eV) Electron Attachment S-S Bond Cleavage Assisted by Coulomb Stabilization Int. J. Quantum Chem. 2005, 102, 838-846
    • (2005) Int. J. Quantum Chem. , vol.102 , pp. 838-846
    • Sawicka, A.1    Berdys-Kochaska, J.2    Skurski, P.3    Simons, J.4
  • 44
    • 22344449081 scopus 로고    scopus 로고
    • Electron Attachment Step in Electron Capture Dissociation (ECD) and Electron Transfer Dissociation (ETD)
    • Anusiewicz, I.; Berdys-Kochaska, J.; Simons, J. Electron Attachment Step in Electron Capture Dissociation (ECD) and Electron Transfer Dissociation (ETD) J. Phys. Chem. A 2005, 109, 5801-5813
    • (2005) J. Phys. Chem. A , vol.109 , pp. 5801-5813
    • Anusiewicz, I.1    Berdys-Kochaska, J.2    Simons, J.3
  • 45
    • 32544452428 scopus 로고    scopus 로고
    • Simulating Electron Transfer Attachment to a Positively Charged Model Peptide
    • Anusiewicz, I.; Berdys-Kochaska, J.; Skurski, P.; Simons, J. Simulating Electron Transfer Attachment to a Positively Charged Model Peptide J. Phys. Chem. A 2006, 110, 1261-1266
    • (2006) J. Phys. Chem. A , vol.110 , pp. 1261-1266
    • Anusiewicz, I.1    Berdys-Kochaska, J.2    Skurski, P.3    Simons, J.4
  • 46
    • 84865763932 scopus 로고    scopus 로고
    • Cascade Dissociations of Peptide Cation-Radicals. Part 1. Scope and Effects of Amino Acid Residues in Penta-, Nona-, and Decapeptides
    • Chung, T. W.; Hui, R. J.; Ledvina, A.; Coon, J. J.; Turecek, F. Cascade Dissociations of Peptide Cation-Radicals. Part 1. Scope and Effects of Amino Acid Residues in Penta-, Nona-, and Decapeptides J. Am. Soc. Mass Spetrom. 2012, 23, 1336-1350
    • (2012) J. Am. Soc. Mass Spetrom. , vol.23 , pp. 1336-1350
    • Chung, T.W.1    Hui, R.J.2    Ledvina, A.3    Coon, J.J.4    Turecek, F.5
  • 47
    • 77958088140 scopus 로고    scopus 로고
    • Proper and Improper Aminoketyl Radicals in Electron-Based Peptide Dissociations
    • Chung, T. W.; Turecek, F. Proper and Improper Aminoketyl Radicals in Electron-Based Peptide Dissociations Int. J. Mass Spectrom. 2011, 301, 55-61
    • (2011) Int. J. Mass Spectrom. , vol.301 , pp. 55-61
    • Chung, T.W.1    Turecek, F.2
  • 48
    • 79955676557 scopus 로고    scopus 로고
    • Backbone and Side-Chain Specific Dissociations of z Ions from Non-Tryptic Peptides
    • Chung, T. W.; Turecek, F. Backbone and Side-Chain Specific Dissociations of z Ions from Non-Tryptic Peptides J. Am. Soc. Mass Spectrom. 2010, 21, 1279-1295
    • (2010) J. Am. Soc. Mass Spectrom. , vol.21 , pp. 1279-1295
    • Chung, T.W.1    Turecek, F.2
  • 49
    • 84892564340 scopus 로고    scopus 로고
    • Comprehensive Analysis of Gly-Leu-Gly-Gly-Lys Peptide Dication Structures and Cation-Radical Dissociations Following Electron Transfer: From Electron Attachment to Backbone Cleavage, Ion-Molecule Complexes, and Fragment Separation
    • Pepin, R.; Laszlo, K. J.; Peng, B.; Marek, A.; Bush, M. F.; Turecek, F. Comprehensive Analysis of Gly-Leu-Gly-Gly-Lys Peptide Dication Structures and Cation-Radical Dissociations Following Electron Transfer: From Electron Attachment to Backbone Cleavage, Ion-Molecule Complexes, and Fragment Separation J. Phys. Chem. A 2014, 118, 308-324
    • (2014) J. Phys. Chem. A , vol.118 , pp. 308
    • Pepin, R.1    Laszlo, K.J.2    Peng, B.3    Marek, A.4    Bush, M.F.5    Turecek, F.6


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