A complementary approach for detecting biological signals through a semi-automated feature selection tool
RegFilter allowed the coverage of the entire chromatographic run and the selection of precursor ions for fragmentation that were previously missed in DDA mode. Most of the ions selected by the tool could be annotated through three levels of annotation, presenting biologically relevant candidates. In addition, the tool offers the possibility of creating local spectral libraries curated according to the user's interests. Thus, the adoption of a dynamic analysis flow using RegFilter allowed for detection optimization and curation of potential biological signals, previously absent in the DDA mode, being a good complementary approach to the current mode of data acquisition. In addition, this workflow enables the creation and search of in-house tailored custom libraries.
Authors
- Daniela Barretto Barbosa Trivella (ORCID: https://orcid.org/0000-0002-7505-2345)
- Gabriel Santos Arini (ORCID: https://orcid.org/0000-0001-9948-2545)
- Alan César Pilon (ORCID: https://orcid.org/0000-0002-7244-5581)
- Ricardo Silva (ORCID: https://orcid.org/0000-0001-6378-0479)
- Danielle R. Pinho (ORCID: https://orcid.org/0000-0001-5143-2856)
- Norberto Peporine Lopes (ORCID: https://orcid.org/0000-0002-8159-3658)
- Luís Guilherme Pereira Feitosa (ORCID: https://orcid.org/0000-0001-9855-4180)
- Paula Rezende‐Teixeira (ORCID: https://orcid.org/0000-0003-4138-8040)
- Rafael de Felício (ORCID: https://orcid.org/0000-0002-3698-940X)
- Letícia V. Costa‐Lotufo (ORCID: https://orcid.org/0000-0003-1861-5153)
- Luiz Gabriel Mencucini (ORCID: https://orcid.org/0000-0002-5773-5329)
- Henrique Tsuji (ORCID: https://orcid.org/0000-0002-9696-8141)
Institutions
- Universidade de São Paulo (BR)
- Universidade Paulista (BR)
- Brazilian Center for Research in Energy and Materials (BR)
- Brazilian Biosciences National Laboratory (BR)
Publication Details
- Journal
- Frontiers in Chemistry
- Published
- 2024-10-25
- DOI
- https://doi.org/10.3389/fchem.2024.1477492
- Citations
- 1
- Primary Topic
- Metabolomics and Mass Spectrometry Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.23