ArticleJournal of the American Society for Mass Spectrometry2015
UV photodissociation of proline-containing peptide ions: insights from molecular dynamics.
Article in Journal of the American Society for Mass Spectrometry, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- Probing the Influence of Sulfur-Aromatic Interactions on the Electronic Structure of Gas-Phase Peptides.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Chromatography-Free Analysis of Mixtures Using a Two-Dimensional Mass Spectrometry (2DMS)-Enabled Quadrupole Time-of-Flight (QToF) Analyzer.Analytical chemistry · 2026Article
- Extensive Fragmentation, Atom Transfer, H loss and Cross-linking Induced by Single Collisions between Carbon Ions and Protonated Antibiotics in the Gas Phase.ChemPlusChem · 2025Article
- Chromophore Optimization in Organometallic Au(III) Cys Arylation of Peptides and Proteins for 266 nm Photoactivation.Analytical chemistry · 2024Article
- Coupling 193 nm Ultraviolet Photodissociation and Ion Mobility for Sequence Characterization of Conformationally-Selected Peptides.Journal of the American Society for Mass Spectrometry · 2020Article
- Higher-order structural characterisation of native proteins and complexes by top-down mass spectrometry.Chemical science · 2020Review
- Ultraviolet Photodissociation of Tryptic Peptide Backbones at 213 nm.Journal of the American Society for Mass Spectrometry · 2020Article
- Ultraviolet Photodissociation Mass Spectrometry for Analysis of Biological Molecules.Chemical reviews · 2020Review
- Thorough Performance Evaluation of 213 nm Ultraviolet Photodissociation for Top-down Proteomics.Molecular & cellular proteomics : MCP · 2020Article
- Initial Protein Unfolding Events in Ubiquitin, Cytochrome c and Myoglobin Are Revealed with the Use of 213 nm UVPD Coupled to IM-MS.Journal of the American Society for Mass Spectrometry · 2019Article
- Simplified identification of disulfide, trisulfide, and thioether pairs with 213 nm UVPD.The Analyst · 2018Article
- Directed-Backbone Dissociation Following Bond-Specific Carbon-Sulfur UVPD at 213 nm.Journal of the American Society for Mass Spectrometry · 2018Article
- Ultraviolet, Infrared, and High-Low Energy Photodissociation of Post-Translationally Modified Peptides.Journal of the American Society for Mass Spectrometry · 2018Article
- The Mechanism Behind Top-Down UVPD Experiments: Making Sense of Apparent Contradictions.Journal of the American Society for Mass Spectrometry · 2017Article
- Characterization of hydrogen bonding motifs in proteins: hydrogen elimination monitoring by ultraviolet photodissociation mass spectrometry.Physical chemistry chemical physics : PCCP · 2017Article
- Combined Infrared Multiphoton Dissociation with Ultraviolet Photodissociation for Ubiquitin Characterization.Journal of the American Society for Mass Spectrometry · 2016Article
- 193 nm Ultraviolet Photodissociation Mass Spectrometry of Tetrameric Protein Complexes Provides Insight into Quaternary and Secondary Protein Topology.Journal of the American Chemical Society · 2016Article
- 213 nm Ultraviolet Photodissociation on Peptide Anions: Radical-Directed Fragmentation Patterns.Journal of the American Society for Mass Spectrometry · 2016Article
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
UV photodissociation of proline-containing peptide ions leads to unusual product ions. In this paper, we report laser-induced dissociation of a series of proline-containing peptides at 213 nm. We observe specific fragmentation pathways corresponding to the formation of (y-2), (a + 2) and (b + 2) fragment ions. This was not observed at 266 nm or for peptides which do not contain proline residues. In order to obtain insights into the fragmentation dynamics at 213 nm, a small peptide (RPK for arginine-proline-lysine) was studied both theoretically and experimentally. Calculations of absorption spectra and non-adiabatic molecular dynamics (MD) were made. Second and third excited singlet states, S(2) and S(3), lie close to 213 nm. Non-adiabatic MD simulation starting from S(2) and S(3) shows that these transitions are followed by C-C and C-N bond activation close to the proline residue. After this first relaxation step, consecutive rearrangements and proton transfers are required to produce unusual (y-2), (a + 2) and (b + 2) fragment ions. These fragmentation mechanisms were confirmed by H/D exchange experiments.
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