{"id":"W4406710471","doi":"10.3390/molecules30030472","title":"The Influence of pH on Long-Range Electron Transfer and Proton-Coupled Electron Transfer in Ruthenium-Modified Azurin","year":2025,"lang":"en","type":"article","venue":"Molecules","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada; Simon Fraser University","keywords":"Azurin; Electron transfer; Chemistry; Redox; Intramolecular force; Ruthenium; Context (archaeology); Pourbaix diagram; Proton-coupled electron transfer; Imidazole; Copper protein; Photochemistry; Electrochemistry; Computational chemistry; Physical chemistry; Inorganic chemistry; Stereochemistry; Copper; Organic chemistry; Electrode","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":[0.0002255468,0.000211765,0.000210383,0.00008824383,0.0001004185,0.0002787314,0.0003459062,0.0002117769,0.0006151581],"category_scores_gemma":[0.0003859035,0.00009058446,0.0001490987,0.0001078737,0.0002555818,0.0004353992,0.00018333,0.0003644618,0.0001030582],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001989134,"about_ca_system_score_gemma":0.00005497865,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002635341,"about_ca_topic_score_gemma":0.0001728252,"domain_scores_codex":[0.9999089,0.00002422388,0.000004554972,0.00002232149,0.0000223361,0.00001775976],"domain_scores_gemma":[0.9998574,0.00008359085,0.00002988844,0.00001032607,0.000008851044,0.000009849282],"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":[0.0001505613,0.00003710805,0.0004580885,0.00009571766,0.00001390072,0.0001209191,0.00007661153,0.001609621,0.9942572,0.0006993387,0.00002541035,0.002455524],"study_design_scores_gemma":[0.000009592839,0.0001761374,0.001570619,0.000003298447,0.000007769489,0.00007152474,0.00001990471,0.009500847,0.9880229,0.0001338454,0.0004767613,0.000006779157],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974051,0.0003696349,0.001687447,0.00001977552,0.000004085072,0.000004812298,0.00002318734,0.00001896336,0.0004670534],"genre_scores_gemma":[0.9988077,0.0001958448,0.0007578585,0.000005565967,0.000002122037,0.000002720677,0.00002531131,0.000006227663,0.0001965826],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006151581,"threshold_uncertainty_score":0.00205791,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006949792411303985,"score_gpt":0.2392495166436111,"score_spread":0.2322997242323071,"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."}}