Nontarget analysis and fluorine atom balances of transformation products from UV/sulfite degradation of perfluoroalkyl contaminants
Bibliographic record
Abstract
the hydrated electron is a promising technology for PFAS remediation and has been well-studied. However, since previous work rarely reports fluorine atom balances and often relies on suspect screening, some transformation products are likely unaccounted for. Therefore, we performed non-target analysis using high-resolution mass spectrometry on solutions of perfluorooctanesulfonate (PFOS), perfluorobutanesulfonate (PFBS), perfluorooctanoate (PFOA), and 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate (GenX) that had been treated with UV/sulfite to produce hydrated electrons. We determined fluorine atom balances for all compounds studied, finding high fluorine atom balances for PFOS and PFBS. PFOA and GenX had lower overall fluorine atom balances, likely due to the production of volatile or very polar transformation products that were not measured by our methods. Transformation products identified by our analysis were consistent with literature, with a few exceptions. Namely, shorter-chain perfluorosulfonates (PFSA) and their H/F substituted counterparts were also detected from PFOS. This is an unexpected result based on literature, as no documented pathway exists for the formation of shorter-chain PFSA during UV/sulfite treatment. Furthermore, the nontarget approach we employed allowed for identification of novel, unsaturated products from the hydrated electron treatment of perfluorooctanesulfonate (PFOS) that warrant further investigation.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".