Theoretical Studies of the Radiation Products of Hydroxyproline
Bibliographic record
Abstract
The radiation products of hydroxyproline have been investigated using density functional theory. In the resulting radicals, the choice of the apical ring atom is found to be dependent on the nature and strength of the intramolecular hydrogen bonding. The observed hyperfine couplings previously assigned to two zwitterionic conformers of the hydroxyproline primary radical anion are found to be better described by its nonzwitterionic isomers and corresponding neutral protonated isomers. Similarly, the observed hyperfine couplings for radicals formed by cleavage of the C α −N bond (deamination) are in closest agreement with those calculated for their neutral forms. Theoretical proton hyperfine couplings support the experimental assignment of the radical cation formed by decarboxylation and the radicals resulting from hydrogen abstraction from the C 2 and C 3 positions. The proton hyperfine couplings are sensitive to the conformations of the radicals, which, in turn, are highly dependent upon the extent of intramolecular hydrogen bonding.
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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 | 0.000 | 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 | 0.001 |
| 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".