{"id":"W4396792527","doi":"10.1021/acs.analchem.3c05654","title":"Colorimetric Detection of Sulfur Mustard with 4-(<i>p</i>-Nitrobenzyl)pyridine and Its Derivatives","year":2024,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Pesticide Exposure and Toxicity","field":"Agricultural and Biological Sciences","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Defence Research and Development Canada; University of Calgary","funders":"Alliance de recherche numérique du Canada; Ministère de la Défense Nationale; University of Calgary","keywords":"Chemistry; Sulfur mustard; Pyridine; Sulfur; Nucleophilic substitution; Nucleophile; Substitution reaction; Organic chemistry; Combinatorial chemistry; Chromatography; Computational chemistry; Toxicity","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":[0.0001947487,0.0003538843,0.0002214875,0.0001946837,0.0001064764,0.000196235,0.0003757247,0.0003615532,0.0006828884],"category_scores_gemma":[0.0002873547,0.0001341142,0.0001959267,0.0001460247,0.0002801674,0.0002697725,0.0002520411,0.0003887166,0.0002798361],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002416326,"about_ca_system_score_gemma":0.0002106005,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005804313,"about_ca_topic_score_gemma":0.001199122,"domain_scores_codex":[0.9998215,0.00003548595,0.000008550435,0.00003694847,0.00007909177,0.00001834487],"domain_scores_gemma":[0.9998925,0.00003556621,0.00003334727,0.000007173913,0.00002051686,0.00001086664],"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":[0.0000281826,0.000008190395,0.0003079074,0.00009237863,0.000007099379,0.00004904223,0.00002244681,0.0001974081,0.9957821,0.0001602934,0.00003087779,0.003314114],"study_design_scores_gemma":[0.000001334597,0.0000959201,0.0003372317,0.000002430668,0.000005841679,0.00009498196,0.00001734261,0.0011343,0.9976673,0.00002965659,0.0006099876,0.000003751518],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9215735,0.006238396,0.06676147,0.0002548849,0.0000984192,0.0000599427,0.0001326218,0.000279693,0.00460108],"genre_scores_gemma":[0.9654765,0.002340463,0.02947633,0.00007103093,0.00001885078,0.00002887644,0.00008847719,0.00001667572,0.002482749],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006828884,"threshold_uncertainty_score":0.002284467,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01416415897107878,"score_gpt":0.217814348580966,"score_spread":0.2036501896098872,"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."}}