ArticleJournal of the American Society for Mass Spectrometry2014
Mechanistic study on electron capture dissociation of the oligosaccharide-Mg²⁺ complex.
Article in Journal of the American Society for Mass Spectrometry, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Sensitive Fluorescence Quantitation and Efficient Free Radical Characterization ofAnalytical chemistry · 2025Article
- Electron Transfer Higher-Energy Collisional Dissociation Can Distinguish Cobalt-Adducted Isomers of Human Milk Oligosaccharides.Analytical chemistry · 2025Article
- An enhanced dual detection of DMB-labeled sialic acids using high-resolution accurate mass spectrometry and fluorescence detection.BBA advances · 2025Article
- Direct and Detailed Site-Specific Glycopeptide Characterization by Higher-Energy Electron-Activated Dissociation Tandem Mass Spectrometry.Analytical chemistry · 2024Article
- Coupling Isotopic Shifts with Collision Cross-Section Measurements for Carbohydrate Characterization in High-Resolution Ion Mobility Separations.Analytical chemistry · 2023Article
- Mechanistic Study into Free Radical-Activated Glycan Dissociations through Isotope-Labeled Cellobioses.Analytical chemistry · 2023Article
- Charge transfer dissociation of a branched glycan with alkali and alkaline earth metal adducts.Journal of mass spectrometry : JMS · 2021Article
- Free-Radical-Mediated Glycan Isomer Differentiation.Analytical chemistry · 2020Article
- Resin and Magnetic Nanoparticle-Based Free Radical Probes for Glycan Capture, Isolation, and Structural Characterization.Analytical chemistry · 2019Article
- Development of Novel Free Radical Initiated Peptide Sequencing Reagent: Application to Identification and Characterization of Peptides by Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2019Article
- Radical solutions: Principles and application of electron-based dissociation in mass spectrometry-based analysis of protein structure.Mass spectrometry reviews · 2018Review
- Characterization of Isomeric Glycans by Reversed Phase Liquid Chromatography-Electronic Excitation Dissociation Tandem Mass Spectrometry.Journal of the American Society for Mass Spectrometry · 2018Article
- Electron Transfer Dissociation and Collision-Induced Dissociation of Underivatized Metallated Oligosaccharides.Journal of the American Society for Mass Spectrometry · 2018Article
- De Novo Glycan Sequencing by Electronic Excitation Dissociation and Fixed-Charge Derivatization.Analytical chemistry · 2018Article
- Gas-Phase Intercluster Thiyl-Radical Induced C-H Bond Homolysis Selectively Forms Sugar C2-Radical Cations of Methyl D-Glucopyranoside: Isotopic Labeling Studies and Cleavage Reactions.Journal of the American Society for Mass Spectrometry · 2017Article
- Eradicating mass spectrometric glycan rearrangement by utilizing free radicals.Chemical science · 2016Article
- Mechanistic Study on Electronic Excitation Dissociation of the Cellobiose-Na(+) Complex.Journal of the American Society for Mass Spectrometry · 2016Article
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5 authors.
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Abstract
Electron capture dissociation (ECD) has shown great potential in structural characterization of glycans. However, our current understanding of the glycan ECD process is inadequate for accurate interpretation of the complex glycan ECD spectra. Here, we present the first comprehensive theoretical investigation on the ECD fragmentation behavior of metal-adducted glycans, using the cellobiose-Mg²⁺ complex as the model system. Molecular dynamics simulation was carried out to determine the typical glycan-Mg²⁺ binding patterns and the lowest-energy conformer identified was used as the initial geometry for density functional theory-based theoretical modeling. It was found that the electron is preferentially captured by Mg²⁺ and the resultant Mg⁺• can abstract a hydroxyl group from the glycan moiety to form a carbon radical. Subsequent radical migration and α-cleavage(s) result in the formation of a variety of product ions. The proposed hydroxyl abstraction mechanism correlates well with the major features in the ECD spectrum of the Mg²⁺-adducted cellohexaose. The mechanism presented here also predicts the presence of secondary, radical-induced fragmentation pathways. These secondary fragment ions could be misinterpreted, leading to erroneous structural determination. The present study highlights an urgent need for continuing investigation of the glycan ECD mechanism, which is imperative for successful development of bioinformatics tools that can take advantage of the rich structural information provided by ECD of metal-adducted glycans.
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