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Record W2905598847 · doi:10.1039/9781788012737-00255

Multisegment Injection–Capillary Electrophoresis–Mass Spectrometry: A Robust Platform for High Throughput Metabolite Profiling with Quality Assurance

2018· book-chapter· en· W2905598847 on OpenAlexaff
Philip Britz‐McKibbin

Bibliographic record

Venuenot available
Typebook-chapter
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicMetabolomics and Mass Spectrometry Studies
Canadian institutionsMcMaster University
Fundersnot available
KeywordsQuality assuranceComputer scienceMultiplexWorkflowBiomarker discoveryCapillary electrophoresisComputational biologyBioinformaticsChemistryChromatographyProteomicsMedicineDatabaseBiology

Abstract

fetched live from OpenAlex

Capillary electrophoresis–mass spectrometry (CE-MS) is a high efficiency separation platform for metabolomic studies that is ideal for the analysis of volume-restricted biological specimens. However, major technical hurdles prevent more widespread use of CE-MS technology, including poor method robustness that is supported by long-term validation studies. We outline efforts towards developing a more robust CE-MS method that offers significant improvements in sample throughput and data fidelity as required for large-scale clinical and epidemiological studies. In this chapter, multisegment injection (MSI)-CE-MS is demonstrated as a multiplexed separation platform for high throughput metabolite profiling in various biological samples with quality assurance. Careful attention to capillary preparation while using standardized operating protocols is critical for successful operations, including rigorous inter-method comparisons and batch-correction algorithms to adjust for system drift. MSI-CE-MS offers a versatile platform using serial injection formats for temporal encoding of mass spectral data, which allows for unambiguous identification and reliable quantification of both polar and non-polar ionic metabolites of clinical significance. Recent data workflows for accelerating biomarker discovery will be discussed, including new advances in population-based screening for early detection of in-born errors of metabolism, validation of lifestyle intervention studies that promote human health and comprehensive drug surveillance given the worldwide opioid crisis.

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)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.007
Threshold uncertainty score0.022

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0000.001
Scholarly communication0.0020.002
Open science0.0020.001
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0070.010

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 head0.023
GPT teacher head0.258
Teacher spread0.235 · 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 designBench or experimental
Domainnot available
GenreMethods

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

Citations0
Published2018
Admission routes1
Has abstractyes

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