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Record W4409312379 · doi:10.1002/ange.202504080

Building a Bridge Between Ambient MS and LC‐MS by Non‐Exhaustive Microdesorption

2025· article· en· W4409312379 on OpenAlexafffund
Wei Zhou, Janusz Pawliszyn

Bibliographic record

VenueAngewandte Chemie · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicIdentification and Quantification in Food
Canadian institutionsUniversity of Waterloo
FundersWorld Anti-Doping Agency
KeywordsBridge (graph theory)ChemistryInternal medicineMedicine

Abstract

fetched live from OpenAlex

Abstract Ambient mass spectrometry (AMS) offers rapid screening but faces challenges in analyzing complex samples due to high matrix effects. The absence of a separation step can also lead to false positives due to the isomers or isobars. In this study, a sequential analysis strategy which combines ambient MS and LC‐MS based on the non‐exhaustive microdesorption in solid‐phase microextraction (SPME) was developed for the first time. By combining coated blade spray (CBS)‐MS with LC‐MS, in the first step, a few microliters of solvent were used for non‐exhaustive desorption with high enrichment factor for rapid screening by CBS‐MS. For the suspicious samples, the remaining analytes on the SPME coating undergo exhaustive desorption, then followed by LC‐MS confirmation. The matrix‐compatible coating used in the SPME device significantly reduces matrix effects while enhancing sensitivity through analyte enrichment. This method is environmentally friendly, utilizing only a few microliters of organic solvents for screening. The approach was rigorously validated, both theoretically and experimentally, and successfully applied to anti‐doping testing, enabling detection of 53 prohibited substances in urine samples by integrating CBS‐MS with LC‐MS.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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: Empirical · Consensus signal: Empirical
Teacher disagreement score0.094
Threshold uncertainty score0.582

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.016
GPT teacher head0.284
Teacher spread0.268 · 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 teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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
Published2025
Admission routes2
Has abstractyes

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