‘From the mole to the molecule’: ruthenium catalyzed nitroarene reduction studied with ‘bench’, high-throughput and single molecule fluorescence techniques
Why this work is in the frame
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Bibliographic record
Abstract
Single molecule fluorescence microscopy techniques are used to complement conventional catalysis and high-throughput experiments in order to gain a complete picture of a model reaction. In these experiments a model nitroarene is reduced to an amine where, upon reduction, a red shift in absorption/emission, as well as an increase in emission, is observed. The reaction is studied under bulk reaction conditions by NMR spectroscopy and the fluorescence activation makes it possible to also study this reaction at the single molecule level. Fluorescence correlation spectroscopy is a valuable technique in supporting the proposed reaction mechanism and understanding the nature and duration of molecular ‘visits’ to catalytic sites, where both the starting material, nitroarene, and the amine product have an affinity for the catalyst.
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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 | 0.003 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it