{"id":"W4408597153","doi":"10.1016/j.jhazmat.2025.137950","title":"Unveiling the reaction pathways in the degradation mechanism of enrofloxacin by hydroxyl radicals: A DFT and experiment study","year":2025,"lang":"en","type":"article","venue":"Journal of Hazardous Materials","topic":"Advanced oxidation water treatment","field":"Environmental Science","cited_by":11,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Central Public-interest Scientific Institution Basal Research Fund, Chinese Academy of Fishery Sciences; Agro-Environmental Protection Institute, Ministry of Agriculture and Rural Affairs; Chinese Academy of Agricultural Sciences; Environment and Natural Resources","keywords":"Radical; Degradation (telecommunications); Chemistry; Mechanism (biology); Enrofloxacin; Reaction mechanism; Hydroxyl radical; Computational chemistry; Photochemistry; Organic chemistry; Biochemistry; Catalysis; Engineering","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001316892,0.0001001316,0.0002090178,0.00004880417,0.00008407303,0.00004158359,0.0001752442,0.00003000784,0.0001084201],"category_scores_gemma":[0.00004582647,0.00005312994,0.00002694309,0.0001021365,0.00005090855,0.000179478,0.00005982123,0.00006633888,0.000005463442],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000148801,"about_ca_system_score_gemma":0.00001212646,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001026672,"about_ca_topic_score_gemma":0.00001243185,"domain_scores_codex":[0.9985848,0.0003530475,0.000534495,0.0001168013,0.0003054603,0.0001053594],"domain_scores_gemma":[0.999337,0.00009622402,0.0003738657,0.0001612508,0.00001073838,0.0000209511],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00007368268,0.0003633547,0.0003706063,0.000004507185,0.00002322469,0.000008017665,0.002145824,0.00005689523,0.9954383,0.0001785714,0.0001981296,0.001138845],"study_design_scores_gemma":[0.001153515,0.0003148805,0.0038565,0.00003773475,0.00004579995,0.0000257578,0.004294754,0.00002334819,0.987092,0.002557427,0.0005349847,0.00006326172],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974382,0.0001161021,0.001212023,0.0005305741,0.000182855,0.0004134595,0.000004453355,0.000004008799,0.00009833006],"genre_scores_gemma":[0.9993112,0.00006850103,0.0004196524,0.00008588881,0.00001758131,0.0000215544,0.000001860174,0.000005237895,0.00006850854],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008346306,"threshold_uncertainty_score":0.2166576,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01078047220399749,"score_gpt":0.2551421757933397,"score_spread":0.2443617035893422,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}