Effect of adding a benzene tricarboxylic acid group to the 5-amino group of pyrazole ring in fipronil on its insecticidal activity
Bibliographic record
Abstract
Fipronil, a broad-spectrum insecticide from the phenylpyrazole family, is widely used in agriculture and veterinary medicine for pest control. The mode of action involves inhibiting the gamma-aminobutyric acid (GABA) receptor, inhibition of glutamate-gated chloride channels (GluCl) and low survival. Concerns about its environmental impact and toxicity on non-target species have driven research into its chemical modification. In our study, we explored the modification of fipronil’s amine group with benzene tricarboxylic acid. Docking studies revealed that the binding energies of fipronil and modified fipronil at Site I of GluCl were −6.31 kcal/mol and −1.74 kcal/mol, respectively. At Site II, fipronil demonstrated a binding energy of −7.91 kcal/mol, whereas modified fipronil exhibited a highly unfavorable binding energy of +6.43 kcal/mol. These results suggest that benzene tricarboxylic acid alters the affinity of fipronil with the GluCl receptor considerably and affects its activity against ticks adversely with effect on its degradation pattern too.
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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".