Rocking (and Shuttling) in a Nanosized Metallobox
Bibliographic record
Abstract
Abstract Gaining insight into the dynamic behavior of supramolecular systems is essential for understanding selective guest encapsulation and for the rational design of nanodevices capable of precise, controllable motion at the molecular scale. In this work, we report the construction of a pseudo‐rotaxane system through the encapsulation of a naphthalenediimide (NDI) derivative bearing long aliphatic chains within the cavity of a nanosized metallorectangle. Electrochemical studies reveal that encapsulation significantly alters the redox properties of the guest. In addition, upon reduction, the NDI‐based radical is stably confined within the host cavity, forming a persistent host–guest complex. This encapsulated radical species can be released upon the addition of chloride ions, demonstrating a clear example of reversible, stimuli‐responsive guest uptake and release. To elucidate the internal dynamics of the system, we employed variable‐temperature 1 H NMR spectroscopy in conjunction with computational modeling. These studies revealed two distinct modes of motion: a) a shuttling motion, in which the guest slides along the axis of the host cavity between central and peripheral positions; and b) a rocking motion, involving partial rotation of the guest enabled by the flexible movement of its aliphatic chains within the host interior.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.001 | 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".