Development of a High-Performance Liquid Chromatographic Method for the Simultaneous Determination of Pyrene-1,6- and 1,8-Dione in Animal and Human Urine
Bibliographic record
Abstract
A recent in vivo mass-balance study on the disposition of 14C-labelled pyrene in rats suggests that 1-hydroxypyrene (1-OHP) is not the major excreted metabolite. In that report, specific metabolites other than 1-OHP were not identified. The purpose of this study was to identify and quantify these unknown metabolites of pyrene in animal and human urine. Using a high-performance liquid chromatography (HPLC)-electrospray-mass spectrometry method, it was observed that dioxygenated pyrene metabolites (m/z 233) were present in significant amounts in urine samples of rats treated with pyrene. An HPLC method with fluorescence detection was then developed for the simultaneous determination of pyrene-1,6- and 1,8-dioxygenated metabolites, that is, the sum of hydroquinone, semiquinone, and quinone forms of these metabolites, after derivatization into 1,6-diacetoxypyrene (P16Da) and 1,8-diacetoxypyrene (P18Da). The mean limits of detection (+/- standard deviation) were 46 +/- 22 nmol P16Da/L and 86 +/- 32 nmol P18Da/L, as calculated from standard solution curves. The intraday coefficient of variation in rats was 5.5% for P16Da and 7.2% for P18Da; in humans, it was 6.8% for P16Da and 7.4% for P18Da (n = 36 in each case). The day-to-day coefficients of variation in rats were 12.5% for P16Da and 7.3% for P18Da; in humans, they were 10.1% for P16Da and 7.2% for P18Da (n = 12 in each case). The recovery rates of these metabolites ranged between 89 and 126% in rats and between 100 and 121% in humans (n = 36 in each case). Interestingly, rat data showed that P16Da molar amounts in 24-h urine samples (n = 4) exceeded those of 1-OHP by 64 to 121 times and P18Da amounts exceeded those of 1-OHP by 13 to 35 times. Similarly, P16Da molar concentrations in spot urine samples of human subjects (n = 4) exposed to pyrene exceeded those of 1-OHP by 4 to 12 times while P18Da concentrations were 0.4 to 2 times those of 1-OHP. Pyrene-1,6- and 1,8-dioxygenated metabolites are major metabolites of pyrene and, particularly in the case of the 1,6-isomers, potentially useful biomarkers of both environmental and occupational exposure to pyrene.
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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".