Method development and comprehensive study of matrix effects for the determination of trace organic contaminants in lake sediments
Bibliographic record
Abstract
• Diatomaceous earth was the optimal dispersant for pressurized liquid extraction • Two successive extractions with MeOH and a MeOH-H 2 O mix gave the best recoveries • Matrix effects increased with organic matter and were highly correlated with retention time • Addition of internal standards was the most efficient technique to correct matrix effects • 17 compounds were quantified in 10 small to medium-sized lakes in Quebec, Canada The presence of trace organic contaminants (TrOCs), such as pharmaceuticals, personal care products, additives, and polar pesticides in sediments of rivers and lakes highly impacted by anthropogenic activities makes sediments a secondary source of contamination for aquatic ecosystems. Considering this, a method for analyzing 44 TrOCs of diverse nature (including five transformation products, 13 pharmaceuticals, five personal care products, 14 pesticides, and seven additives) was developed and validated. It is based on extraction by pressurized liquid extraction (PLE), followed by purification and pre-concentration by solid phase extraction (SPE) and quantification by liquid chromatography coupled to a triple quadrupole mass spectrometer (LC-QqQMS). The method was optimized according to dispersant type, temperature, and extraction solvent. The influence of organic matter in sediments on quantitative analysis was also investigated in detail. Matrix effects were highly and significantly correlated ( r =-0.9146, p < 0.0001) with retention time. Using internal standards showed the best results for effectively correcting matrix effects without affecting method sensitivity. The method was then validated according to key figures of merit: linearity ( R 2 > 0.990), extraction recoveries (> 60% for 34 compounds), trueness (bias % < 15%), precision (relative standard deviation < 20%) and matrix effects (between -13.3% and 17.8%). This method can be applied for routine analysis of TrOCs in different sediment matrices. The method was applied to ten lake sediment samples collected in Québec, Canada. Results demonstrated the presence of 17 compounds in at least one lake at concentrations between 0.07 to 1531 ng g -1 . The reported concentrations provide a first picture of the occurrence of chemical stressors in sediments of small lake highly anthropized ecosystems in Eastern Canada.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 teacher head, 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".