Computational tools and algorithms for ion mobility spectrometry-mass spectrometry.

Autor: Ross DH; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington, USA., Bhotika H; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington, USA., Zheng X; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington, USA., Smith RD; Biological Sciences Division, Pacific Northwest National Laboratory, Richland, Washington, USA., Burnum-Johnson KE; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington, USA., Bilbao A; Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington, USA.
Jazyk: angličtina
Zdroj: Proteomics [Proteomics] 2024 Jun; Vol. 24 (12-13), pp. e2200436. Date of Electronic Publication: 2024 Mar 04.
DOI: 10.1002/pmic.202200436
Abstrakt: Ion mobility spectrometry-mass spectrometry (IMS-MS or IM-MS) is a powerful analytical technique that combines the gas-phase separation capabilities of IM with the identification and quantification capabilities of MS. IM-MS can differentiate molecules with indistinguishable masses but different structures (e.g., isomers, isobars, molecular classes, and contaminant ions). The importance of this analytical technique is reflected by a staged increase in the number of applications for molecular characterization across a variety of fields, from different MS-based omics (proteomics, metabolomics, lipidomics, etc.) to the structural characterization of glycans, organic matter, proteins, and macromolecular complexes. With the increasing application of IM-MS there is a pressing need for effective and accessible computational tools. This article presents an overview of the most recent free and open-source software tools specifically tailored for the analysis and interpretation of data derived from IM-MS instrumentation. This review enumerates these tools and outlines their main algorithmic approaches, while highlighting representative applications across different fields. Finally, a discussion of current limitations and expectable improvements is presented.
(© 2024 Battelle Memorial Institute. PROTEOMICS published by Wiley‐VCH GmbH.)
Databáze: MEDLINE
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