{"id":"W1980889069","doi":"10.1021/la049572d","title":"Acceleration of Nucleophilic Attack on an Organophosphorothioate Neurotoxin, Fenitrothion, by Reactive Counterion Cationic Micelles. Regioselectivity as a Probe of Substrate Orientation within the Micelle","year":2004,"lang":"en","type":"article","venue":"Langmuir","topic":"Surfactants and Colloidal Systems","field":"Chemistry","cited_by":81,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Regioselectivity; SN2 reaction; Micelle; Counterion; Aqueous solution; Nucleophile; Moiety; Critical micelle concentration; Pulmonary surfactant; Medicinal chemistry; Photochemistry; Organic chemistry; Combinatorial chemistry; Ion; Catalysis","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":[0.0001900052,0.0004245372,0.0001292801,0.0001033133,0.00009342338,0.0002119765,0.0002005556,0.0003516332,0.0007235483],"category_scores_gemma":[0.0003030575,0.0001468933,0.0001461416,0.00007196388,0.0002021015,0.00027971,0.00015585,0.000260277,0.0002305234],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003131253,"about_ca_system_score_gemma":0.0001792269,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007667972,"about_ca_topic_score_gemma":0.001169043,"domain_scores_codex":[0.9998922,0.00001980308,0.000006452191,0.00002836931,0.00002766429,0.00002551314],"domain_scores_gemma":[0.9998881,0.00002936143,0.00004275462,0.000006249823,0.00002044725,0.00001306088],"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":[0.00005165512,0.000004097778,0.00009187222,0.00002088188,0.000003066423,0.00002646725,0.00001456748,0.00004218449,0.9989439,0.00004809348,0.000009925863,0.0007433373],"study_design_scores_gemma":[0.000003647486,0.0001126441,0.0006531597,0.00000182749,0.000003631101,0.00006842725,0.000006502712,0.0003449343,0.9985015,0.0000111827,0.0002906031,0.000001894998],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959888,0.0007463104,0.001764131,0.00003331117,0.000009874138,0.00002339997,0.00005957748,0.00003520332,0.00133946],"genre_scores_gemma":[0.9966388,0.0006211018,0.001528071,0.00001929268,0.000003872126,0.00001760521,0.00006638411,0.000008228119,0.00109657],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007667972,"threshold_uncertainty_score":0.002420485,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01663502235209215,"score_gpt":0.2554250229395661,"score_spread":0.238790000587474,"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."}}