Tris(pyronato)- and Tris(pyridonato)-ruthenium(III) Complexes and Solution NMR Studies
Bibliographic record
Abstract
The water-soluble Ru(III) maltolato, ethylmaltolato, and pyridonato complexes, Ru(O-O')3 (O-O' = ma (1a), etma (1b), pyd (2a)), were synthesized (Hma = 3-hydroxy-2-methyl-4-pyrone, Hetma = 2-ethyl-3-hydroxy-4-pyrone, Hpyd = 3-hydroxy-1,2-dimethyl-4-pyridone). The complexes were characterized by elemental analysis, NMR and IR spectroscopies, MS, solution conductivity, and cyclic voltammetry, and in the case of Ru(ma)(3), by X-ray crystallography, which revealed a mer configuration. The paramagnetic 1H NMR resonances of 1a, 1b, and 2a were assigned using 2D methods (1H COSY and 1H-13C HMQC) and variable-temperature 1H NMR data and showed that 1a and 1b exist in aqueous solution predominantly as a mer isomer, while 2a is a mixture of mer and fac isomers. Although a 13C NMR spectrum could not be measured directly for 1a, a partial (13)C spectrum was generated from the 1H-13C HMQC spectrum. Complexes 1a and 1b were tested for anti-proliferatory activity against the human breast cancer cell line MDA-MB-435S and gave IC50 values of 140 and 90 microM, respectively.
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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".