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Record W2604239438 · doi:10.1080/22297928.2017.1282326

Simultaneous and Practical Difluoromethylation of Triclosan, 2,4,6-Trichlorophenol and Pentachlorophenol in Soils for their Qualitative Detection by Electron Ionization GC-MS

2017· article· en· W2604239438 on OpenAlexaboutno aff
Carlos A. Valdez, Roald N. Leif

Bibliographic record

VenueAnalytical Chemistry Letters · 2017
Typearticle
Languageen
FieldEnvironmental Science
TopicEffects and risks of endocrine disrupting chemicals
Canadian institutionsnot available
FundersLawrence Livermore National Laboratory
KeywordsChemistryDerivatizationPentachlorophenolPhenolsSilylationChlorophenolBSTFAChromatographyTriclosanGas chromatography–mass spectrometryOrganic chemistryTriclocarbanEnvironmental chemistryPhenolMass spectrometry

Abstract

fetched live from OpenAlex

The extremely rapid (30 seconds) and practical derivatization of three environmentally relevant chlorinated phenols (CPs): triclosan, 2,4,6-trichlorophenol and pentachlorophenol for their qualitative detection by GC-MS is presented. The method involves the use of the eco-friendly difluoromethylating agent diethyl (bromodifluoromethyl) phosphonate (DBDFP) and results in the efficient tagging of the hydroxyl group in the phenols with the difluoromethyl (CF2H) moiety. Moreover, the protocol is carried out at ambient temperature and thus eliminates the heating involved with more conventional methods such as silylation. Another important facet of the derivatization is its biphasic nature, allowing for the specific tagging of phenolic species that are present in water or in an organic matrix. The derivatization yields difluoromethylated ether versions of the phenols with enhanced detectability by EI-GC-MS and as a way of demonstrating the robustness of the protocol, the three CPs were derivatized and unequivocally identified when spiked in three different types of soils: Virginia type A soil, Ottawa Sand and Nebraska EPA soil at a 1 μg g-1 concentration each. The protocol offers a fast way of derivatizing these types of phenols since no prior, separate sample preparation or extraction steps are needed.

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)0.000
metaresearch head score (Gemma)0.000
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: Empirical · Consensus signal: Empirical
Teacher disagreement score0.005
Threshold uncertainty score0.009

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.013
GPT teacher head0.351
Teacher spread0.339 · 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
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

Citations4
Published2017
Admission routes1
Has abstractyes

Explore more

Same venueAnalytical Chemistry Letters→Same topicEffects and risks of endocrine disrupting chemicals→French-language works237,207→