Hydrogen Atom Abstraction Kinetics from Intramolecularly Hydrogen Bonded Ubiquinol-0 and Other (Poly)methoxy Phenols
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Bibliographic record
Abstract
The effect of methoxy substitution on the abstraction of the phenolic hydrogen atom involved in intramolecular hydrogen bonding by tert -butoxyl and cumyloxyl radicals has been investigated by laser flash photolysis. Also transition state calculations for methoxyl radical and 2-methoxyphenol have been carried out by a density functional theory (DFT) method. Hydrogen atom abstraction is surprisingly easy from intramolecularly hydrogen bonded methoxyphenols, in contrast to intermolecularly hydrogen bonded molecules. The kinetic solvent effect, investigated in six solvents with different hydrogen bond accepting properties, on the hydrogen atom abstraction reaction from o -methoxy phenols was shown to be smaller than for non-hydrogen bonded phenols, and is independent of further methoxy substitution. The high rate constant for hydrogen atom abstraction from ubiquinol-0 (2.8 × 10 9 M - 1 s - 1 in CCl 4 ) and the small kinetic solvent effect make it a good antioxidant, even in a polar environment.
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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 | 0.001 |
| 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 | 0.001 |
| 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 it