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https://hdl.handle.net/2440/74158
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dc.contributor.author | Wang, T. | - |
dc.contributor.author | Tran, T. | - |
dc.contributor.author | Calabrese, A. | - |
dc.contributor.author | Bowie, J. | - |
dc.date.issued | 2012 | - |
dc.identifier.citation | Rapid Communications in Mass Spectrometry, 2012; 26(16):1832-1840 | - |
dc.identifier.issn | 0951-4198 | - |
dc.identifier.issn | 1097-0231 | - |
dc.identifier.uri | http://hdl.handle.net/2440/74158 | - |
dc.description.abstract | <h4>Rationale</h4>An experimental study has shown that the structure of a β' ion proposed earlier is incorrect. Backbone cleavage β' anions have structures R(NH(-)) from systems [[RNHCH(X)CONHCH(Y)CO(2)H (or C-terminal CONH(2))-H](-) (where R is the rest of the peptide molecule and X and Y represent the α side chains of the individual amino acid residues).<h4>Methods</h4>Ab initio calculations were carried out at the CAM-B3LYP/6-311++g(d,p) level of theory.<h4>Conclusions</h4>The calculations suggest that RNH(-) ions are formed by S(N)i cyclisation processes involving either (i) the C-terminal CO(2)(-) or C-terminal [CONH](-) as appropriate, or (ii) an enolate ion [-NHC(-)(Y)-] cyclising at the backbone CH of the -CH(X)- group. Concomitant C-N bond cleavage then liberates an RNH(-) ion, processes which can occur along the peptide backbone. | - |
dc.description.statementofresponsibility | Tianfang Wang, T. T. Nha Tran, Antonio N. Calabrese, John H. Bowie | - |
dc.language.iso | en | - |
dc.publisher | John Wiley & Sons Ltd | - |
dc.rights | Copyright © 2012 John Wiley & Sons, Ltd. | - |
dc.source.uri | http://dx.doi.org/10.1002/rcm.6297 | - |
dc.subject | Anions | - |
dc.subject | Peptides | - |
dc.subject | Spectrometry, Mass, Electrospray Ionization | - |
dc.subject | Amino Acid Sequence | - |
dc.subject | Models, Molecular | - |
dc.subject | Molecular Sequence Data | - |
dc.title | Backbone fragmentations of [M-H]⁻ anions from peptides. Reinvestigation of the mechanism of the beta prime cleavage | - |
dc.title.alternative | Backbone fragmentations of [M-H](-) anions from peptides. Reinvestigation of the mechanism of the beta prime cleavage | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1002/rcm.6297 | - |
dc.relation.grant | ARC | - |
pubs.publication-status | Published | - |
Appears in Collections: | Aurora harvest 4 Chemistry publications |
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