{"id":"W4306956824","doi":"10.1016/j.jhazmat.2022.130216","title":"The multiple roles of phenols in the degradation of aniline contaminants by sulfate radicals: A combined study of DFT calculations and experiments","year":2022,"lang":"en","type":"article","venue":"Journal of Hazardous Materials","topic":"Advanced oxidation water treatment","field":"Environmental Science","cited_by":19,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"Aniline; Radical; Phenols; Degradation (telecommunications); Sulfate; Chemistry; Environmental chemistry; Contamination; Organic chemistry; Computer science","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003422505,0.0006808375,0.0005585667,0.0003140898,0.0004568454,0.0004367899,0.0007233191,0.0005761761,0.002258493],"category_scores_gemma":[0.0003370354,0.0002264143,0.0004135347,0.0001983727,0.0003633377,0.0006175251,0.0004525304,0.0005193162,0.0001762693],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003193101,"about_ca_system_score_gemma":0.0003231797,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002491072,"about_ca_topic_score_gemma":0.003846365,"domain_scores_codex":[0.9999033,0.00001913283,0.00000432119,0.00001027014,0.00003075209,0.00003217908],"domain_scores_gemma":[0.9997682,0.0001256104,0.0000207921,0.00002320564,0.00004610757,0.00001610609],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.002435937,0.001148378,0.0157671,0.003528431,0.0004486382,0.002415611,0.001247303,0.4531425,0.3941336,0.05043253,0.003911049,0.07138887],"study_design_scores_gemma":[0.0002244881,0.001050204,0.008259924,0.0001083426,0.0002117306,0.0001918477,0.0006397407,0.9003428,0.07974622,0.006852536,0.002295979,0.00007621284],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9910522,0.000693039,0.003268986,0.0001994483,0.00004545687,0.00002126256,0.0001081568,0.00003591578,0.004575578],"genre_scores_gemma":[0.9980968,0.0004581317,0.00087458,0.00003344885,0.000008926387,0.00001724572,0.00005261576,0.000007019536,0.0004512931],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002491072,"threshold_uncertainty_score":0.007555366,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01440950955582684,"score_gpt":0.2652406201312261,"score_spread":0.2508311105753993,"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."}}