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Record W3104633899 · doi:10.1016/j.chroma.2020.461717

Development of retention time indices for comprehensive multidimensional gas chromatography and application to ignitable liquid residue mapping in wildfire investigations

2020· article· en· W3104633899 on OpenAlexaff
Nadin Boegelsack, Courtney D. Sandau, Dena W. McMartin, Jonathan M. Withey, Gwen O’Sullivan

Bibliographic record

VenueJournal of Chromatography A · 2020
Typearticle
Languageen
FieldChemistry
TopicAnalytical Chemistry and Chromatography
Canadian institutionsUniversity of SaskatchewanMount Royal University
Fundersnot available
KeywordsChromatographyArsonDimension (graph theory)Gas chromatographyChemistryWorkflowIsothermal processComputer scienceMathematicsDatabase

Abstract

fetched live from OpenAlex

In this study, we introduce a simple three-step workflow for a universally applicable RI system, to be used in GC×GC analysis of ignitable liquid residue (ILR) for arson investigations. The proposed RI system applies a combination of two well-established GC RI systems: non-isothermal Kovats (K) index in the first dimension and Lee (L) index in the second dimension. The proposed KLI RI system showed very good correlations when compared with predicted values and existing RI systems (r2 = 0.97 in first dimension, r2 = 0.99 in second dimension) and was valid for a wide range of analyte concentrations and operational settings (coefficient of variance (CV) < 1% in first dimension, < 10% in second dimension). Using the KLI RI, an ILR classification contour map was created to assist with the identification of ILR types within ASTM E1618. The contour map was successfully applied to neat fuels and a fire scene sample, highlighting the application to wildfire investigation. Standardizing the RI process and establishing acceptable error margins allows the exploration and comparison of comprehensive data generated from GC×GC analysis of ILRs regardless of location, time, or system, further enhancing comprehensive and tenable chemometric analyses of samples. Overall, the KLI workflow was inexpensive, quick to apply, and user-friendly with its simple 3-step design.

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 categoriesMeta-epidemiology (narrow)
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 score0.053
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
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 head0.024
GPT teacher head0.247
Teacher spread0.223 · 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.

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

Citations25
Published2020
Admission routes1
Has abstractyes

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