{"id":"W2319228641","doi":"10.1021/ja029746i","title":"Spectroscopic and Electronic Structure Studies of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase:  O<sub>2</sub> Reactivity of the Non-Heme Ferrous Site in Extradiol Dioxygenases","year":2003,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":58,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; University of British Columbia","funders":"National Center for Research Resources; National Institute of General Medical Sciences","keywords":"Chemistry; Active site; Crystallography; Square pyramidal molecular geometry; Stereochemistry; Dioxygenase; Substrate (aquarium); Extended X-ray absorption fine structure; Electronic structure; Heme; Bond length; X-ray absorption spectroscopy; Magnetic circular dichroism; Density functional theory; Reactivity (psychology); Absorption spectroscopy; Crystal structure; Enzyme; Computational chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.000103064,0.0001388204,0.0001429522,0.0001346898,0.0001414842,0.0001208966,0.000274468,0.0003365327,0.000768305],"category_scores_gemma":[0.0001420972,0.0001049428,0.00008307424,0.0001801163,0.0001272858,0.000134891,0.00009992831,0.0002019898,0.0001117612],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002251375,"about_ca_system_score_gemma":0.00007073242,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00146355,"about_ca_topic_score_gemma":0.001682983,"domain_scores_codex":[0.9999142,0.00001101281,0.00000292103,0.00001604487,0.00003462861,0.00002111925],"domain_scores_gemma":[0.9999371,0.000012787,0.00001413812,0.000004431701,0.00001980571,0.00001170313],"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":[0.000063651,0.00001789424,0.0005071746,0.00002612925,0.000003653665,0.0000292129,0.00001490375,0.0001940882,0.9983064,0.00008171914,0.00003012619,0.000725002],"study_design_scores_gemma":[0.00002284932,0.0001497419,0.01962734,0.000003844866,0.00001175886,0.0002813203,0.00006648306,0.005717487,0.9730613,0.0001512213,0.0008975204,0.000009118125],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974438,0.0005293975,0.001289063,0.00004819749,0.00000381928,0.000003052218,0.0001204497,0.00001329623,0.0005490116],"genre_scores_gemma":[0.9986508,0.0002427562,0.0005851983,0.00002219762,0.000002300052,0.000001751852,0.0002076493,0.000003879396,0.0002834005],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00146355,"threshold_uncertainty_score":0.002910018,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00979206615837184,"score_gpt":0.2479778922636258,"score_spread":0.238185826105254,"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."}}