Binding of Heterocycles by Cyclohexanohemicucurbiturils and Solid-Phase Extraction of Sulfur-Containing Heterocycles from Water
Bibliographic record
Abstract
Here we report a study on cyclohexanohemicucurbit[8]uril (cycHC[8]) binding of sulfur-, oxygen- and nitrogen-containing heterocycles in both solid state and solution, which is investigated by single crystal X-ray diffraction, NMR spectroscopy, isothermal titration calorimetry, and thermogravimetry. Potential guests include environmental pollutants, hazardous compounds, and bioactive substances. We found that cycHC[8] encapsulates five- and six-membered sulfur- and oxygen-containing unsubstituted heterocycles and can be used as a selective sorption material for the extraction of sulfur-heterocycles from water. Both cycHC[6] and cycHC[8] can remove a substituted heterocycle, α-lipoic acid, from an aqueous solution via the formation of an external complex. The results show that cycHC[ n ] is a promising reusable sorbent material with the potential to be employed in molecular recognition and highly specific solid-phase extraction of sulfur-heterocycles.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 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 | 0.001 |
| Research integrity | 0.001 | 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 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".