Evidence map›Paper›PMID 38672895›Full record

ArticleFoods (Basel, Switzerland)2024

Critical Review of Selected Analytical Platforms for GC-MS Metabolomics Profiling-Case Study: HS-SPME/GC-MS Analysis of Blackberry's Aroma.

Jovana Ljujić, Ljubodrag Vujisić, Vele Tešević, Ivana Sofrenić, Stefan Ivanović, Katarina Simić, Boban Anđelković

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Foods (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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

7 authors.

Jovana LjujićFaculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia.ORCID 0000-0002-0215-0155
Ljubodrag VujisićFaculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia.ORCID 0000-0001-7625-7484
Vele TeševićFaculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia.
Ivana SofrenićFaculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia.ORCID 0000-0002-9799-670X
Stefan IvanovićInstitute of Chemistry, Technology and Metallurgy, National Institute of the Republic of Serbia, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia.ORCID 0000-0002-3291-9818
Katarina SimićInstitute of Chemistry, Technology and Metallurgy, National Institute of the Republic of Serbia, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia.ORCID 0000-0001-5060-8936
Boban AnđelkovićFaculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Belgrade, Serbia.ORCID 0000-0002-9522-1492

Funding

Ministry of Science, Technological Development and Innovation of Republic of Serbia 451-03-66/2024-03/200026Ministry of Science, Technological Development and Innovation of Republic of Serbia 451-03-66/2024-03/200168Serbian Academy of Sciences and Arts F188
6 · The paper itself

Abstract

Data processing and data extraction are the first, and most often crucial, steps in metabolomics and multivariate data analysis in general. There are several software solutions for these purposes in GC-MS metabolomics. It becomes unclear which platform offers what kind of data and how that information influences the analysis's conclusions. In this study, selected analytical platforms for GC-MS metabolomics profiling, SpectConnect and XCMS as well as MestReNova software, were used to process the results of the HS-SPME/GC-MS aroma analyses of several blackberry varieties. In addition, a detailed analysis of the identification of the individual components of the blackberry aroma club varieties was performed. In total, 72 components were detected in the XCMS platform, 119 in SpectConnect, and 87 and 167 in MestReNova, with automatic integral and manual correction, respectively, as well as 219 aroma components after manual analysis of GC-MS chromatograms. The obtained datasets were fed, for multivariate data analysis, to SIMCA software, and underwent the creation of PCA, OPLS, and OPLS-DA models. The results of the validation tests and VIP-pred. scores were analyzed in detail.

Indexed as

blackberries aromagas chromatography mass spectrometryheadspace solid-phase micro extractionmetabolomics platformsmultivariate data analysisvolatile compounds

Identifiers

PMID38672895
PMCPMC11049629

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LicenceCC BY
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Registered trials

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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.