1,2,3-Triazole-Containing Molecular Pockets Derived from Cholic Acid: The Influence of Structure on Host−Guest Coordination Properties
Bibliographic record
Abstract
Two cholic acid-containing trimers with 1,2,3-triazole groups close to the connecting point ("top") and at the end of the cholic acid arms ("bottom") were synthesized. These molecules are able to form hydrophobic pockets and solubilize pyrene and other hydrophobic molecules in polar media due to the facial amphiphilicity of cholic acid. Heavy metal ions such as Cu(II) can also be coordinated by the 1,2,3-triazole groups, as shown by EPR spectroscopy. Due to the vicinity of metal ions and pyrene in the pockets, the fluorescence of pyrene is quenched. However, the position of the 1,2,3-triazole groups has a crucial influence on the metal ion complexation. The trimer with 1,2,3-triazole groups at the top is found to bind metal ions more effectively and gives rise to a significantly enhanced fluorescence quenching efficiency. Here, the metal ions act as one tridentate chelating agent, while the triazoles on the bottom rather behave as single entities without any cooperativity in binding to the metal. In the latter case, the quenching effect is reduced considerably despite the fact that both trimers are able to bind Cu(II). This indicates that the specific and strong binding of Cu(II) at the top leads to closer spatial proximity between metal ion and pyrene when compared to the Cu(II) bound on the bottom.
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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) | 0.000 | 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".