{"id":"W2943404723","doi":"10.1021/acs.biochem.9b00145","title":"C–H Bond Cleavage Is Rate-Limiting for Oxidative C–P Bond Cleavage by the Mixed Valence Diiron-Dependent Oxygenase PhnZ","year":2019,"lang":"en","type":"article","venue":"Biochemistry","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada; Austrian Science Fund","keywords":"Chemistry; Kinetic isotope effect; Bond cleavage; Stereochemistry; Active site; Valence bond theory; Solvent; Crystallography; Deuterium; Catalysis; Molecule; Organic chemistry; Molecular orbital","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":[0.0003871337,0.0002872731,0.0003334367,0.0001522058,0.0001435258,0.000751864,0.0005184052,0.0003446567,0.000563584],"category_scores_gemma":[0.0006520178,0.0002971463,0.0002048529,0.0001338215,0.0002931656,0.000483146,0.0002874931,0.000609625,0.0002412296],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008397732,"about_ca_system_score_gemma":0.0003218711,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002210464,"about_ca_topic_score_gemma":0.001989551,"domain_scores_codex":[0.9996138,0.00003769537,0.00003371253,0.0001218114,0.0001132762,0.00007968049],"domain_scores_gemma":[0.9997254,0.00007946232,0.00005339714,0.00003131608,0.00005340055,0.00005703644],"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":[0.000167822,0.00004975079,0.002278167,0.00002968699,0.000007789438,0.00005415188,0.00002739149,0.000288504,0.9955024,0.0002265021,0.00004214201,0.001325623],"study_design_scores_gemma":[0.00001115166,0.00008131219,0.005739241,0.000004509886,0.000008167401,0.0001262522,0.00004515035,0.004361685,0.9890566,0.0001058284,0.0004480875,0.00001190623],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973844,0.0003188119,0.001752983,0.00003922902,0.000005833148,0.000009807331,0.00008412002,0.000028749,0.0003760169],"genre_scores_gemma":[0.9985188,0.0001167891,0.0008685507,0.000007179912,0.000001480238,0.000005817299,0.0001604443,0.00001273885,0.0003083136],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002210464,"threshold_uncertainty_score":0.006092966,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01432548106066328,"score_gpt":0.2399382291865962,"score_spread":0.2256127481259329,"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."}}