Small aggregates of benzoporphyrin molecules observed in water–organic solvent mixtures
Bibliographic record
Abstract
Abstract Benzoporphyrins, chlorin‐type compounds, are efficient new drugs in photodynamic therapy. In this work, some aspects of the benzoporphyrin‐1,3‐diene dimethyl ester (DiesterB) aggregation were investigated in water–organic solvent mixtures, using visible spectrophotometry. The effects of solvent mixtures, water with acetonitrile, dioxane, methanol and ethanol, were compared taking the calculated aggregation equilibrium constant (K) and the aggregation number. The K dependence on temperature, DiesterB concentration and water content suggest that, in water with acetonitrile, the predominant species is a dimer, whereas in dioxane, methanol and ethanol systems, there are multiple equilibria, with a pre‐equilibrium between the monomer and dimer (small amount), followed by trimer formation. Not only the solvent polarity but also the nature of the organic solvent are important for the aggregation process, driving the aggregate size and the magnitude of the equilibrium constant. Copyright © 2004 John Wiley & Sons, Ltd.
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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".