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Record W4391250545 · doi:10.1016/j.mex.2024.102589

Rapid and sensitive method for the simultaneous determination of PAHs and alkyl-PAHs in scrubber water using HS-SPME-GC–MS/MS

2024· article· en· W4391250545 on OpenAlexfundno aff
Elisa García-Gómez, Sara Insa, Meritxell Gros, Mira Petrović

Bibliographic record

VenueMethodsX · 2024
Typearticle
Languageen
FieldEnvironmental Science
TopicToxic Organic Pollutants Impact
Canadian institutionsnot available
FundersAgencia Estatal de InvestigaciónEuropean Regional Development FundHORIZON EUROPE Framework ProgrammeAristotle University of ThessalonikiGeneralitat de CatalunyaMinisterio de Ciencia e InnovaciónEuropean Social FundCentres de Recerca de CatalunyaCanadian Institute for Advanced Research
KeywordsChemistryAlkylChromatographySolid-phase microextractionTriple quadrupole mass spectrometerScrubberMass spectrometryEnvironmental chemistryContaminationGas chromatographyGas chromatography–mass spectrometryAqueous solutionGas Chromatography/Tandem Mass SpectrometryTandem mass spectrometrySelected reaction monitoringOrganic chemistry

Abstract

fetched live from OpenAlex

Scrubber water, a waste stream generated by ships exhaust gas cleaning systems, may pose a threat when released into the marine environment due to potential contamination with polycyclic aromatic hydrocarbons (PAHs) and their alkyl derivatives (alkyl-PAHs). This study aims to develop a reliable analytical procedure combining headspace solid-phase microextraction (HS-SPME) with gas chromatography coupled to triple quadrupole tandem mass spectrometry (GC–MS/MS) to simultaneously separate and determine target compounds in aqueous samples. Method validation demonstrated good linearity up to 200 ng L −1 (r 2 > 0.996) and low limits of detection (0.33 to 1.67 ng L −1 , except for naphthalene at 3.3 ng L −1 ). The method shows good precision (RSD<20%) and satisfactory analytical recoveries. The methodology was successfully applied to scrubber water samples collected from a container ship and the results highlight the prevalence of naphthalene, phenanthrene, and their alkyl derivatives. • Rapid and reproducible HS-SPME-GC–MS/MS method for the analysis of PAHs and alkyl-PAHs in scrubber water. • The capacity of SPME to analyze both filtered and unfiltered samples was assessed, showing that the more hydrophobic PAHs may be lost during filtration.

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 score0.002
Threshold uncertainty score0.006

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 studies0.0010.001
Scholarly communication0.0000.001
Open science0.0010.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0020.001

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 head0.028
GPT teacher head0.334
Teacher spread0.306 · 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

Citations16
Published2024
Admission routes1
Has abstractyes

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