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Record W4360980699 · doi:10.1186/s40068-023-00286-8

Rapid spilled oil analysis using direct analysis in real time time-of-flight mass spectrometry

2023· article· en· W4360980699 on OpenAlex
Krishnaja Tikkisetty, Paige McCallum, Taylor Filewood, Jeffrey Yan, Honoria Kwok, Pamela Brunswick, Robert B. Cody, Dayue Shang

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueENVIRONMENTAL SYSTEMS RESEARCH · 2023
Typearticle
Languageen
FieldChemistry
TopicMass Spectrometry Techniques and Applications
Canadian institutionsEnvironment and Climate Change Canada
FundersEnvironment and Climate Change Canada
KeywordsPrincipal component analysisMass spectrometryEnvironmental scienceTime-of-flight mass spectrometryExploratory analysisComputer scienceProcess engineeringData miningChromatographyChemistryEngineeringArtificial intelligence

Abstract

fetched live from OpenAlex

Abstract Background The biomarker diagnostic ratio analysis outlined by the European Committee for Standardization is considered the current gold standard in oil forensic analysis. However, it has a major limitation as an emergency response procedure in the case of a large scale oil spill due to the high number of samples collected, long GC/MS instrument run time, and the time-consuming data processing required. This current study utilized direct analysis in real time time-of-flight mass spectrometry to develop a rapid spilled oil screening method. An exploratory search of biomarkers and synthetic additives was conducted on reference oil samples of various types. To build a robust yet swift procedure for oil typing, specific heat maps were built with extensive reference sample modelling. These heat maps were then used to select relevant ions from which principal component analysis and discriminant analysis of principal component models were constructed to result in defensible oil classifications. Results The initial exploratory search of biomarkers and additives in the various reference oil samples resulted in promising preliminary matches. The heat map and multivariate statistical analysis oil typing method was applied to three unknown samples, all of which were classified accurately. Conclusion The merit of direct analysis in real time time-of-flight mass spectrometry on oil forensic was confirmed with the detected biomarkers compound class starting members and lubricating additives along with the successful application of heat maps and multivariate statistical analysis, providing a swift yet reliable screening tool for oil spill environmental monitoring and impact surveying.

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.

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)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.498
Threshold uncertainty score0.982

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0030.010
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0190.001

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 head0.032
GPT teacher head0.320
Teacher spread0.288 · 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