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Text Mining and Computational Chemistry Reveal Trends in Applications of Laser Desorption/Ionization Techniques to Small Molecules
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry.ORCID iD: 0000-0002-5808-8979
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry.ORCID iD: 0000-0002-4597-041x
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Medicinal Chemistry, Analytical Pharmaceutical Chemistry.ORCID iD: 0000-0001-8962-2815
Center for Proteomics and Metabolomics, Leiden University Medical Center, 2300 RC Leiden, The Netherlands.ORCID iD: 0000-0002-5865-8994
2024 (English)In: Journal of the American Society for Mass Spectrometry, ISSN 1044-0305, E-ISSN 1879-1123, Vol. 35, no 10, p. 2507-2515Article in journal (Refereed) Published
Abstract [en]

Continued development of laser desorption/ionization (LDI) since its inception in the 1960s has produced an explosion of soft ionization techniques, where ionization is assisted by the physical or chemical properties of a structure or matrix. While many of these techniques have primarily been used to ionize large biomolecules, including proteins, some have recently seen increasing applications to small molecules such as pharmaceuticals. Small molecules pose particular challenges for LDI techniques, including interference from the matrix or support in the low mass range. To investigate trends in the application of soft LDI techniques to small molecules, we combined text mining and computational chemistry, looking specifically at matrix substances, analyte properties, and the research domain. In addition to making visible the history of LDI techniques, the results may inform the choice of method and suggest new avenues of method development. All software and collected data are freely available on GitHub (https://github.com/ReinV/SCOPE), VOSviewer (https://www.vosviewer.com), and OSF (https://osf.io/zkmua/).

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2024. Vol. 35, no 10, p. 2507-2515
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Analytical Chemistry
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URN: urn:nbn:se:uu:diva-544001DOI: 10.1021/jasms.4c00293ISI: 001320851000001PubMedID: 39308355Scopus ID: 2-s2.0-85205604134OAI: oai:DiVA.org:uu-544001DiVA, id: diva2:1916569
Available from: 2024-11-27 Created: 2024-11-27 Last updated: 2025-04-07Bibliographically approved
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Bergman, Nina P.Bergquist, JonasHedeland, Mikael

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