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Filename: drivers/Session_files_driver.php
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Filename: controllers/Detail.php
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Function: _error_handler
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Filename: controllers/Detail.php
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Function: insertAPISummary
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Protein citrullination is emerging as an important signaling mechanism that modulates a variety of biological processes. This protein modification constitutes only a 1 Da mass shift, and can be readily confused with other common protein modifications that yield an identical mass shift. In an attempt to develop a robust methodology for detection of protein citrullination sites, we analyzed synthetic citrulline-containing peptides by electrospray ionization tandem mass spectrometry. Collision-induced dissociation (CID) spectra revealed abundant neutral loss of 43 Da from citrullinated peptide precursor ions, which was reconciled by elimination of the HNCO moiety (isocyanic acid) from the citrulline ureido group. The elimination occurs readily in multiple charge states of precursor ions and also in b and y ions. HNCO loss in CID spectra provides a novel diagnostic marker for citrullination, and its utility was demonstrated by the discovery of Arg197 as the specific site of citrullination on nucleophosmin upon peptidylarginine deiminase 4 treatment.
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http://dx.doi.org/10.1016/j.jasms.2008.12.012 | DOI Listing |
J Am Soc Mass Spectrom
December 2024
School of Electronic and Information Engineering, Soochow University, Suzhou 215006, China.
Tandem mass spectrometry (MS) is one of the most effective methods to obtain the structures of organic molecules, enabling the observation of multigenerational ion fragments. Collision-induced dissociation (CID) is currently the most mature technique for mass spectrometry analysis. Ion trap mass spectrometry (ITMS) is favored for on-site detection field, due to its ability of MS analysis with a single trap and its small size.
View Article and Find Full Text PDFPhytochem Anal
December 2024
Faculty of Pharmaceutical Sciences, Toho University, Funabashi, Chiba, Japan.
Introduction: Liquid chromatography-mass spectrometry (LC-MS) has enhanced the rapid, accurate analysis of complex plant extracts, eliminating the need for extensive isolation. Tandem mass spectrometry (MS/MS) further enhances this process by providing detailed structural information. However, differentiating structural isomers remains a challenge due to their minor spectral and structural differences.
View Article and Find Full Text PDFAngew Chem Int Ed Engl
December 2024
CINBIO and Departamento de Química Orgánica, Campus Lagoas-Marcosende, Universidade de Vigo, Vigo, E-36310, Spain.
Chiral allenes self-assembly following a cooperative mechanism into a supramolecular chiral aggregate consisting of two coaxial helices: the internal helix described by the allene stack and the external helix which consist in a 4-helix described by the four allene substituents. More precisely, this supramolecular aggregate possesses six axially chiral elements within its structure-the allene, the allene stack (internal helix) and the stacks of the four allene substituents (external 4-helix)-. Interestingly, slight variations in the magnitude of the tilting degree while keeping its P- or M- orientation (internal helix) can vary the orientation of the 4-axial motifs at the external helix.
View Article and Find Full Text PDFMetabolites
November 2024
Department of Biotechnology and Life Science, Tokyo University of Agriculture and Technology, 2-24-16 Naka-cho, Koganei-shi, Tokyo 184-8588, Japan.
: Untargeted lipidomics using collision-induced dissociation-based tandem mass spectrometry (CID-MS/MS) is essential for biological and clinical applications. However, annotation confidence still relies on manual curation by analytical chemists, despite the development of various software tools for automatic spectral processing based on rule-based fragment annotations. : In this study, we present a novel machine learning model, MS2Lipid, for the prediction of known lipid subclasses from MS/MS queries, providing an orthogonal approach to existing lipidomics software programs in determining the lipid subclass of ion features.
View Article and Find Full Text PDFJ Phys Chem A
November 2024
Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei 10617, Taiwan.
Characterization of carbohydrate structures using mass spectrometry is a challenging task. Understanding the dissociation mechanisms of carbohydrates in the gas phase is crucial for characterizing these structures through tandem mass spectrometry. In this study, we investigated the collision-induced dissociation (CID) of glucose, galactose, and mannose in their linear forms, as well as the linear forms of hexose at the reducing end of 1-6 linked disaccharides, using quantum chemistry calculations and tandem mass spectrometry.
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