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Record W2075143798 · doi:10.1021/es990422c

The Aqueous Photolysis of TFM and Related Trifluoromethylphenols. An Alternate Source of Trifluoroacetic Acid in the Environment

2000· article· en· W2075143798 on OpenAlexaff
David Ellis, Scott A. Mabury

Bibliographic record

VenueEnvironmental Science & Technology · 2000
Typearticle
Languageen
FieldEnvironmental Science
TopicPer- and polyfluoroalkyl substances research
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsTrifluoroacetic acidChemistryYield (engineering)Aqueous solutionSubstituentPhenolPhenolsDegradation (telecommunications)Medicinal chemistryNitroOrganic chemistryAlkyl

Abstract

fetched live from OpenAlex

The lampricide 3-trifluoromethyl-4-nitrophenol (TFM) is added annually to the Great Lakes (approximately 50 000 kg/y), with treatment concentrations varying from 1 to 14 mg/L at source. TFM was shown to undergo photohydrolytic degradation, at 365 nm and under actinic radiation, to produce trifluoroacetic acid (TFA). A mechanistic study for the production of TFA from TFM was conducted, and the structural parameters associated with the production of TFA from trifluoromethylated phenols were investigated. It was found that the yield of TFA is clearly dependent on the nature of the trifluoromethylated phenol. The nature of the substituents, the substitution pattern, and the pH strongly effected the photolytic half-life of the parent compound and the yield of TFA. The half-life of TFM at 365 nm was found to be 22 h (pH 9) and yielded 5.1% TFA, and 91.7 h at pH 7, yielding 17.8% TFA. Converting the nitro substituent of TFM to an amino group caused a decrease in the half-life to 2.3 min and yielded 11% TFA. The mechanism for the production of TFA from TFM was deduced from the pH dependence and the effect of altering substituents on the trifluoromethylphenol. Ultimately, the formation of trifluoromethylquinone led to the quantitative production of TFA.

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)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesScience and technology studies, Insufficient 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 score0.621
Threshold uncertainty score0.998

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.009
Scholarly communication0.0000.000
Open science0.0020.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.006
GPT teacher head0.226
Teacher spread0.220 · 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

Citations68
Published2000
Admission routes1
Has abstractyes

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