A PEPTIDE CO SOLVENT IN A CHIRALITY INDUCTION MODEL SYSTEM: BROADBAND ROTATIONAL SPECTROSCOPY OF THE 2,2,2-TRIFLUOROETHANOL- -PROPYL ENE OXIDE ADDUCT
Bibliographic record
Abstract
Chirality induction in a model system, i.e. the 2,2,2-trifluoroethanol (TFE)--propylene oxide (PO) adduct, was investigated in detail using chirped pulse and cavity based Fourier transform microwave spectroscopy, complemented with high level ab initio calculations.Hydrogen-bonding interaction of TFE with the permanently chiral PO molecule results in eight binary TFE--PO diastereomers.Rotational spectra of four of them were observed experimentally and unambiguously assigned and identified.Unlike the TFE dimer where an extreme case of chirality synchronization was previously reported, diastereomers due to both the g+ and g-forms of TFE were observed, indicating that the tunneling between the two isoenergetic gauche forms of TFE was quenched.Comparison to the previous studies reveals that perfluorination increases the hydrogen-bonding energy by about 70% over its ethanol counterpart.TFE--PO serves as a prototype system for chirality induction which leads to chirality amplification rather than a system with chirality synchronization.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), 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".