<sup>13</sup>C-NMR Measurement of Pyrroloquinoline Quinone in Deuterium Oxide Using Cryo-probe and Spectral Identification by the Quantum Chemical Calculation
Bibliographic record
Abstract
Coenzyme pyrroloquinoline quinone (PQQ) is an important molecule in biology, chemistry and engineering. It has 14 kinds of carbon atoms, and there are 14 peaks in DMSO-d6 on the 13C-NMR measurement. The disodium salt of PQQ (Na2PQQ), used as food, is not dissolved in DMSO. A 13C-NMR assignment of Na2PQQ in deuterium oxide has not been reported. As for the measurement with a high sensitivity detector (cryo detector), 28 peaks could be observed in deuterium oxide. A quantum chemical calculation revealed that it has two states in equilibrium with the acetal structure by the addition of water to the quinone moiety.
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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".