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Fundamentals and Analytical Strategies for Metabolomics Workflow: An Overview and Microbial Applications

2023· article· en· W4377292949 on OpenAlexaff
Hanna C. de Sá, Emile dos Santos, S. R. S. T. de Carvalho, Rafaela Nunes, Gisele André Baptista Canuto

Bibliographic record

VenueBrazilian Journal of Analytical Chemistry · 2023
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsDiscovery Air (Canada)
FundersFundação de Amparo à Pesquisa do Estado da BahiaConselho Nacional de Desenvolvimento Científico e Tecnológico
KeywordsMetabolomicsWorkflowComputer scienceBiochemical engineeringData scienceSample (material)Computational biologyBioinformaticsBiologyChemistryEngineering

Abstract

fetched live from OpenAlex

Metabolomics has become a prominent area within the omics sciences and allows an understanding of complex biological systems. Among several areas of knowledge, the study of microorganisms (microbial metabolomics) has received attention. Due to the many species of microorganisms and their high metabolic complexity, many challenges are involved in metabolomics workflow. Careful experimental design and execution of the experiments will provide reliable results, allowing correct biological interpretation. This review presents the fundamentals of metabolomics and workflow, focusing on the description of the steps and analytical strategies applied to microbial sample preparation, highlighting the current challenges in sample handling. In addition, the state of the art of analytical technologies based on separation techniques hyphenated to mass spectrometry and applications in microbial metabolomics are presented.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.005
metaresearch head score (Gemma)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Review · Consensus signal: none
Teacher disagreement score0.005
Threshold uncertainty score0.028

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0050.004
Meta-epidemiology (narrow)0.0030.002
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0050.005
Science and technology studies0.0010.001
Scholarly communication0.0030.004
Open science0.0030.003
Research integrity0.0030.003
Insufficient payload (model declined to judge)0.0040.008

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.030
GPT teacher head0.323
Teacher spread0.292 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreReview

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations7
Published2023
Admission routes1
Has abstractyes

Explore more

Same venueBrazilian Journal of Analytical ChemistrySame topicMetabolomics and Mass Spectrometry StudiesFrench-language works237,207