Theoretical Study of the Copper Complexes with Aminoguanidine: Investigating Secondary Antioxidant Activity
Bibliographic record
Abstract
High Resolution Image Download MS PowerPoint Slide A systematic study of the thermodynamic stability of various Cu(II) complexes with aminoguanidine (AG) is performed, together with the study of its secondary antioxidant activity. Calculations have been carried out at the M05(SMD)/6-311+G(d,p) level of theory using water as the solvent. The results obtained indicate that AG is capable of forming a wide array of stable coordination compounds with Cu(II) under physiological pH conditions, and it possesses some degree of secondary antioxidant activity when coordinating to copper. The most thermodynamically stable complex can slow down 2.8 times the first step of the Haber–Weiss cycle (from 7.71 × 10 9 to 2.80 × 10 9 M –1 s –1 ) and slightly reduce the potential damage that the formation of • OH radicals can cause. The results of this research add to previous knowledge on this molecule, which could be used as a potential glycation inhibitor.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.008 | 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".