Pseudopolymorphism of Ethylpyrogall[6]arene: Investigating the Role of Solvent in Guiding Self-Assembly of 3D Networks
Bibliographic record
Abstract
Recent studies have demonstrated that the r- tctct isomer of ethylpyrogall[6]arene (6EPGR) can be readily isolated as a minor product of the synthesis of the corresponding tetramer in the form of a 6 DMSO/1 6EPGR clathrate in the hexagonal space group R -3. Simultaneous studies in our group have led to the isolation of said hexamer as a 12 DMSO/1 6EPGR clathrate in the same space group. Using powder X-ray diffraction (PXRD) and 13 C cross polarization magic angle spinning (CP/MAS) NMR spectroscopy, we have demonstrated that this 12 DMSO/1 6EPGR pseudopolymorph is, in fact, the precursor to the 6 DMSO/1 6EPGR form. The 6 DMSO/1 6EPGR form can be obtained through simple heating of this 12 DMSO/1 6EPGR precursor, as well as recrystallization of the precursor from acetone. Furthermore, in light of the data we have obtained using these techniques, in conjunction with direct observation of the process using a microscope, we suggest that the 6:1 inclusion as prepared by recrystallization from acetone is more appropriately modeled as containing acetone in addition to DMSO and comment on the relationship between these pseudopolymorphic forms and the impacts of the two methods of conversion on the structures of the clathrates.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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 source (direct Gemma or distilled Codex), 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".