A BROADBAND ROTATIONAL SPECTROSCOPIC STUDY OF TETRAHYDRO-2H-PYRAN-2-OL
Bibliographic record
Abstract
Tetrahydro-2H-pyran-2-ol (THP) is an alcohol containing pyranose ring.The lack of substituents in THP minimizes the conformational flexibility and the non-covalent interactions within the structure, drastically simplifying the system in relation to physiologically relevant carbohydrates, such as glucose.This makes THP a prototypical system to study various phenomena and dynamics of carbohydrate chemistry.Such phenomena include the anomeric effect, which describes the preference for the axial conformation over the less hindered and more energetically favoured equatorial conformation.When in solution, THP is in equilibrium with its linear counterpart, 5-hydroxypentanal, and readily interconverts between its two chiral forms.A high resolution gas phase study of THP may not only confirm phenomena such as the anomeric affect, but also allow for the study of chiral interconversion in the gas phase.An in-depth study of THP will also lay a foundation for future gas phase carbohydrate systems with more physiological relevance.However, before we can study the various phenomena and dynamics, it is first beneficial to study the structure of THP in great detail.To elucidate the THP structure we analyzed rotational spectra measured with a chirped-pulse Fourier transform microwave spectrometer, operating in the 2-6 GHz range.In addition to the monomers, some dimer conformations were assigned to the rotational spectrum.The intermolecular interactions within the dimers were then visualized using a non-covalent interactions (NCI) analysis.
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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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.006 | 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".