Evidence map›Paper›PMID 38324622›Full record

ArticleBriefings in bioinformatics2024

Integrative open workflow for confident annotation and molecular networking of metabolomics MSE/DIA data.

Albert Katchborian-Neto, Matheus F Alves, Paula C P Bueno, Karen de Jesus Nicácio, Miller S Ferreira, Tiago B Oliveira, Henrique Barbosa, Michael Murgu, Ana C C de Paula Ladvocat, Danielle F Dias and 3 more

Abstract read
In one paragraph

Article in Briefings in bioinformatics, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

6 citing papers in PubMed.

  1. Article
  2. The Metabolome of theJournal of natural products · 2026
    Review
  3. Article
  4. Article
  5. Article
  6. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

13 authors.

Albert Katchborian-NetoChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0003-2711-2881
Matheus F AlvesChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0003-2980-0370
Paula C P BuenoChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0002-6856-6380
Karen de Jesus NicácioDepartment of Chemistry, Federal University of Mato Grosso, 14040-901, Cuiabá, Mato Grosso, Brazil.ORCID 0000-0001-9790-5786
Miller S FerreiraChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0002-9723-0528
Tiago B OliveiraDepartment of Pharmacy, Federal University of Sergipe, 49100-000, São Cristóvão, Sergipe, Brazil.ORCID 0000-0001-7578-9497
Henrique BarbosaCenter of Natural Sciences and Humanities, Federal University of ABC, 09210-180, Santo Andre, São Paulo, Brazil.ORCID 0000-0002-1163-9681
Michael MurguWaters Corporation, Alameda Tocantins 125, Alphaville, 06455-020, São Paulo, São Paulo, Brazil.ORCID 0000-0002-7489-7637
Ana C C de Paula LadvocatDepartment of Pharmaceutical Sciences, Federal University of Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais, Brazil.ORCID 0000-0001-7998-0950
Danielle F DiasChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0001-9129-4734
Marisi G SoaresChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0001-9221-9867
João H G LagoCenter of Natural Sciences and Humanities, Federal University of ABC, 09210-180, Santo Andre, São Paulo, Brazil.ORCID 0000-0002-1193-8374
Daniela A Chagas-PaulaChemistry Institute, Federal University of Alfenas, 37130-001, Alfenas, Minas Gerais, Brazil.ORCID 0000-0003-2274-4919

Funding

Coordination for the Improvement of Higher Education Personnel 001Minas Gerais State Research Foundation BPD-00760-22National Council for Scientific and Technological Development 406837/2021-0São Paulo State Research Foundation 2021/02789-7 e 2023/12447-1
6 · The paper itself

Abstract

Liquid chromatography coupled with high-resolution mass spectrometry data-independent acquisition (LC-HRMS/DIA), including MSE, enable comprehensive metabolomics analyses though they pose challenges for data processing with automatic annotation and molecular networking (MN) implementation. This motivated the present proposal, in which we introduce DIA-IntOpenStream, a new integrated workflow combining open-source software to streamline MSE data handling. It provides 'in-house' custom database construction, allows the conversion of raw MSE data to a universal format (.mzML) and leverages open software (MZmine 3 and MS-DIAL) all advantages for confident annotation and effective MN data interpretation. This pipeline significantly enhances the accessibility, reliability and reproducibility of complex MSE/DIA studies, overcoming previous limitations of proprietary software and non-universal MS data formats that restricted integrative analysis. We demonstrate the utility of DIA-IntOpenStream with two independent datasets: dataset 1 consists of new data from 60 plant extracts from the Ocotea genus; dataset 2 is a publicly available actinobacterial extract spiked with authentic standard for detailed comparative analysis with existing methods. This user-friendly pipeline enables broader adoption of cutting-edge MS tools and provides value to the scientific community. Overall, it holds promise for speeding up metabolite discoveries toward a more collaborative and open environment for research.

Indexed as

MetabolomicsSoftwareChromatography, LiquidMass SpectrometryReproducibility of ResultsWorkflowchemical annotationdata-independent acquisitionmass spectrometryOcoteaopen software

Identifiers

PMID38324622
PMCPMC10849173

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.