Photophysical and Theoretical Studies on the Stereoselective Complexation of Naphthylethanols with β-Cyclodextrin
Bibliographic record
Abstract
Stereoselective binding of the 1-naphthyl-1-ethanol (1-NpOH) and 2-naphthyl-1-ethanol (2-NpOH) enantiomers with β-cyclodextrin (β-CD) was investigated by photophysical and theoretical studies. The latter are based on structural calculations of the complexes and their respective induced circular dichroism spectra. For the enantiomers of 1-NpOH, where the complexes with β-CD have a 1:1 (guest:CD) stoichiometry, a mixture of structures with different geometries was observed for each enantiomer. No stereoselectivity was apparent for these complexes. ( R) - and ( S) -2-NpOH form complexes with β-CD that have both 1:1 and 2:2 stoichiometries. Structural calculations indicate that the naphthyl moiety of both enantiomers is preferentially included in the CD cavity for the 1:1 complex. In the case of the complexes with 2:2 stoichiometry, a mixture of complexes is present that either have the naphthyl moieties at a distance or in close proximity. The former geometry explains the observation of long-lived excited triplet states for 2-NpOH, whereas the latter geometry is responsible for the excimer emission. The stereoselectivity observed for the monomer to excimer intensity ratios when ( R) - and ( S) -2-NpOH are complexed to β-CD is due to the different contributions of 2:2 complexes with different geometries.
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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) | 0.001 | 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 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".