Supramolecular C—H...π and C—H...O interactions in a new synthon relevant to malaria pigment model systems
Bibliographic record
Abstract
Metalloporphyrin complexes occur in many biochemical systems prompting considerable study of perhaps none more so than the heme model systems.Previous work from our group has presented analysis of structures and solid state resonance Raman spectra of a group of 5 supramolecular interactions play an integral role in the resonant Raman excitonic enhancement observed when applying near infrared excitation wavelengths in β β-hematin compared to the other model systems was attributed to the O a strategy to improve the OEP model systems was to use axial ligands containing a number of O carboxylate groups.A better malaria pigment model complex, (picrato)(OEP)Fe(III), has been prepared and reported [2].Two additional similar O model compounds of malaria pigment: (2 (OEP)Fe(III).Our analysis of these structures revealed the expected abundance of C C-H are six a addition there are six intermolecular C interaction intermolecular C This establishing this intriguing motif as another new supramolecular synthon.This synthon, together with the 3 dominated by may help explain the similarity of the resonant Raman excitonic enhancement noted previously for β model system Figure 1
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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) | 0.003 | 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".