Host–Guest Chemistry of the Cucurbituril Family
Bibliographic record
Abstract
Chapter 3 describes the supramolecular host–guest chemistry of unmodified cucurbit[n]urils (single-cavity CB[n], n=5–8, 10, and twisted tCB[n], n=13–15). The ranges of host–guest complexes formed with the single-cavity and twisted CB[n] hosts are surveyed, and their applications, notably in the field of drug and biomolecule recognition, are described. With inner cavity volumes ranging from 68 to 691 Å3, the single-cavity CB[n] hosts exhibit unique selectivity for differently sized guest molecules and ions: the CB[5] can bind small gas molecules, CB[6] binds aliphatic chains, CB[7] can include aromatic and polycyclic guests, CB[8] allows for the binding of two complementary guests, while CB[10] can bind other small host molecules, as well as transition metal complexes. The host–guest complexation is driven primarily by the hydrophobic effect in terms of the release of high-energy waters from the cavity upon guest inclusion, along with favorable ion–dipole interactions between the polar portals and charged centers on cationic guests. The ultra-high stability constants (up to 1017 M−1) observed with certain dicationic guests and CB[7] result from optimal packing of the hydrophobic cavity with the guest core and the placement of an ammonium group adjacent to each portal.
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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 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.012 | 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".