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Record W4410408301 · doi:10.3390/separations12050127

Development and Optimization of a Gas Chromatography–Mass Spectrometry Analytical Method for Detecting Sulfolane and Benzene Toluene, Ethylbenzene, and Xylenes in Water Samples

2025· article· en· W4410408301 on OpenAlexafffundabout
Merrik Kobarfard, Alexander Sweett, Beth L. Parker, Tadeusz Górecki

Bibliographic record

VenueSeparations · 2025
Typearticle
Languageen
FieldEnvironmental Science
TopicToxic Organic Pollutants Impact
Canadian institutionsUniversity of GuelphUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of CanadaShell Canada
KeywordsSulfolaneEthylbenzeneTolueneBenzeneMass spectrometryChromatographyChemistryGas chromatographyBTEXGas chromatography–mass spectrometryOrganic chemistryEnvironmental chemistrySolvent

Abstract

fetched live from OpenAlex

Sulfolane, an organic solvent widely used in the petrochemical industry, has raised concerns due to its potential health risks and environmental mobility. Toxicological studies suggest that it may negatively affect human and ecological health, highlighting the need for risk assessments. Alongside sulfolane, BTEX compounds (benzene, toluene, ethylbenzene, and xylenes) are commonly present in petrochemical operations, and their migration may be influenced by sulfolane. This study developed a gas chromatography–mass spectrometry (GC-MS) method for simultaneous analyses of sulfolane and BTEX in water. The sample preparation was designed for simplicity to allow for easy implementation without specialized equipment. The method was characterized, validated, and its ruggedness was tested through experimental design. The method was then applied to evaluate the stability of water samples under various storage conditions, and to analyze 97 real water samples collected from a contaminated site in Alberta, Canada. The results identified 17 samples with sulfolane concentrations exceeding the maximum limits for aquatic life preservation, and three samples with detectable toluene levels. These findings highlight the need for further research to better understand contamination profiles and assess associated risks.

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: none
Teacher disagreement score0.009
Threshold uncertainty score0.017

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.292
Teacher spread0.276 · 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

Citations1
Published2025
Admission routes3
Has abstractyes

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