{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005093363,0.0003024682,0.000908036,0.00003521072,0.0000873223,0.00001335829,0.0005516449,0.0001160542,0.00002562655],"category_scores_gemma":[0.0006132714,0.0001876931,0.0006152746,0.0006175981,0.000683918,0.0001198427,0.0001630498,0.0009316297,2.788803e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004440819,"about_ca_system_score_gemma":0.0002913321,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002067617,"about_ca_topic_score_gemma":0.00001391652,"domain_scores_codex":[0.9976779,0.0001342331,0.0008122002,0.0002802031,0.0006720625,0.000423421],"domain_scores_gemma":[0.9969806,0.0003040878,0.001902208,0.0005385219,0.0001813054,0.00009328685],"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":[0.00004542189,0.0001221158,0.001864099,0.000136142,0.0003241754,0.000001691563,0.0006830421,0.00003680319,0.9961439,0.00005942157,0.0002188498,0.0003643595],"study_design_scores_gemma":[0.00076,0.00005335088,0.001854717,0.0001270614,0.0001193232,0.0001007382,0.000920923,0.00006512503,0.9938253,0.00191718,0.00008055486,0.0001757656],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975227,0.001852273,0.00005167974,0.0002869169,0.0000827347,0.000124594,0.00003449859,0.000007139983,0.00003750005],"genre_scores_gemma":[0.9979118,0.0009418653,0.0008622553,0.000131452,0.00009606472,0.000004019004,0.000001604579,0.0000308511,0.00002012389],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002318616,"threshold_uncertainty_score":0.7653904,"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."}}