Detection of Nine Chlorinated and Brominated Haloacetic Acids at Part-per-Trillion Levels Using ESI-FAIMS-MS
Bibliographic record
Abstract
A combination of electrospray ionization, high-field asymmetric waveform ion mobility spectrometry, and mass spectrometry (ESI-FAIMS-MS) was used for the analysis of a solution containing a mixture of the nine chlorinated and brominated haloacetic acids. For a carrier gas of nitrogen in the FAIMS analyzer, haloacetate anions of the mono- and dihalogenated acids and the decarboxylated anions of three of the trihalogenated acids were detected. No signal was observed for bromodichloroacetic acid (BDCAA) at a dispersion voltage of -3400 V. The addition of a small amount of carbon dioxide to the nitrogen carrier gas resulted in the detection of the pseudomolecular trihaloacetate anions, including BDCA-, and significant increases in sensitivities for the trihalogenated species. The addition of carbon dioxide to the nitrogen carrier gas had little effect on the mono- and dihalogenated anions. Quantitative analysis of the nine haloacetic acids, using flow injection, gave detection limits between 5 and 36 parts-per-trillion in 9/1 methanol/water (v/v) containing 0.2 mM ammonium acetate.
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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 | 0.001 | 0.001 |
| 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".