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Repurposing proteomic nanoLC-MS platforms for untargeted metabolomics: evaluating DIA and polarity switching performance in human plasma

2025-07-24Artigo científico Acesso restrito
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datacite.subject.fosCiências Naturais::Ciências Biológicas
dc.contributor.authorPinto, Frederico G.
dc.contributor.authorGiddey, Alexander D.
dc.contributor.authorMohamed, Nesrin
dc.contributor.authorAlmarri, Rauda S. B.
dc.contributor.authorMurtaza, Munazza
dc.contributor.authorNassir, Nasna
dc.contributor.authorAlkhnbashi, Omer S.
dc.contributor.authorUddin, Mohammed J.
dc.contributor.authorSoares, Nelson C.
dc.date.accessioned2026-01-20T12:18:21Z
dc.date.available2026-01-20T12:18:21Z
dc.date.issued2025-07-24
dc.description.abstractBackground: Many of the advanced MS methods applied in proteomics such as nanoflow LC-MS with data-independent acquisition have yet to be verified and/or optimized on metabolomics applications. Research design and methods: This study evaluates the feasibility of repurposing a proteomics-optimized nanoLC-MS platform for untargeted metabolomics. Using NIST SRM 1950 reference human plasma, we compared the performance of polarity switching and separate polarity modes under DIA conditions, focusing on metabolite coverage, annotation, and response linearity. Results: We observed, in the separate polarity and switching polarity runs 669 and 353 features in (+) mode and 558 and 446 features in (-) mode, respectively. A total of 233 metabolites were annotated using the (±) separate polarities and 179 using the (±) switching polarity based on MassBank of North America (MoNA) public MS library and filtered with the Human Metabolome Database (HMDB). Both switching and separate polarity methods performed well regarding response linearities which were investigated by spiking some amino acid compounds into plasma matrix. Conclusions: The polarity switching DIA approach for metabolomics reduced sample consumption and analysis time, but led to fewer detected features and annotations compared to separate polarity runs. These findings support the use of unified nanoLC-MS platforms for integrated multi-omics analysis.eng
dc.description.abstractHighlights: - This study evaluates the performance of polarity switching compared to separate polarity modes in nano liquid chromatography mass spectrometry (nanoLC-MS/MS) for DIA untargeted metabolomics using the NIST SRM 1950 reference human plasma. - While polarity switching offers advantages such as reduced sample consumption and faster overall analysis time, it showed however fewer detected features and annotated compounds, and lower reproducibility compared to separate polarities. - A key aspect of our study is the development of a versatile nanoLC-MS/MS method that can be employed for both high-throughput proteomics and untargeted metabolomics without the need to alter the HPLC system from nano to microflow, mobile-phases or separation column dimensions and chemistry, whereas it is currently common practice in multi-omic laboratories to change all or several of these aspects when switching between these two ‘omics applications.
dc.description.sponsorshipThis study was supported by the Center for Applied and Translational Genomics (CATG), Mohammed Bin Rashid University of Medicine and Health Sciences (MBRU), Dubai Health, Dubai, United Arab Emirates. Internal grant MBRU, Dubai Health, College of Medicine grants cycle 2025/2027. Grant Reference No: MRBU-CM-RG2025-14, title; Development of multiomics biomarker test to predict the risk of premature myocardial infarction (MI) in the UAE. Frederico G. Pinto thanks the National Council for Scientific and Technological Development - CNPq/Brazil (308264/2022-3).
dc.identifier.citationExpert Rev Proteomics. 2025 Aug;22(8):307-314. doi: 10.1080/14789450.2025.2537210. Epub 2025 Jul 24
dc.identifier.doi10.1080/14789450.2025.2537210
dc.identifier.eissn1744-8387
dc.identifier.issn1478-9450
dc.identifier.pmid40685892
dc.identifier.urihttp://hdl.handle.net/10400.18/10719
dc.language.isoeng
dc.peerreviewedyes
dc.publisherTaylor and Francis Group
dc.relation.hasversionhttps://www.tandfonline.com/doi/full/10.1080/14789450.2025.2537210
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectUntargeted Metabolomics
dc.subjectData Independent Analysis
dc.subjectHuman Plasma
dc.subjectMass Spectrometry
dc.subjectSwitching Polarity
dc.subjectData Independent Analysis
dc.subjectGenómica Funcional e Estrutural
dc.titleRepurposing proteomic nanoLC-MS platforms for untargeted metabolomics: evaluating DIA and polarity switching performance in human plasmaeng
dc.typejournal article
dcterms.referenceshttps://www.tandfonline.com/doi/suppl/10.1080/14789450.2025.2537210?scroll=top
dspace.entity.typePublication
oaire.citation.endPage314
oaire.citation.issue8
oaire.citation.startPage307
oaire.citation.titleExpert Review of Proteomics
oaire.citation.volume22
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85

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