{"id":"W4415805352","doi":"10.1021/acscatal.5c04772","title":"Rationalizing Solvent Effect in Bronsted Acid-Catalyzed C–O Scission: A Thermodynamically Consistent Framework with Assessable Descriptors","year":2025,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Origins and Evolution of Life","field":"Physics and Astronomy","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Suncor Energy Incorporated","keywords":"Catalysis; Solvent effects; Solvent; Dielectric; Reaction rate constant; Activation energy; Molecule; Decoupling (probability); Reactivity (psychology); Context (archaeology)","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":[0.0006726448,0.0008297121,0.0004846531,0.0004745371,0.0002467896,0.0006640668,0.001097189,0.000461185,0.0008937743],"category_scores_gemma":[0.001431852,0.000328253,0.0004334637,0.0002671594,0.0007463842,0.001209671,0.0006397137,0.0006844691,0.0001735837],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007111246,"about_ca_system_score_gemma":0.0008436671,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00179588,"about_ca_topic_score_gemma":0.001863416,"domain_scores_codex":[0.9998438,0.00003125614,0.000008452218,0.00003435468,0.00005418375,0.00002778362],"domain_scores_gemma":[0.9997421,0.0001292879,0.00004118154,0.00004295738,0.00002757112,0.00001687042],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001344042,0.0001872821,0.004195021,0.0001480731,0.00004119767,0.0001925461,0.00005458897,0.8412794,0.1216853,0.02510882,0.0001422093,0.00683111],"study_design_scores_gemma":[0.000009403291,0.00005750856,0.0004929623,0.000003073666,0.000007869973,0.0000132996,0.00001559582,0.976901,0.0194062,0.002938511,0.000145136,0.00000935244],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.8432766,0.0003273994,0.1513341,0.0001767636,0.00002863051,0.0001363624,0.0002812997,0.0002595327,0.004179385],"genre_scores_gemma":[0.9890069,0.0002428414,0.01005176,0.00001805545,0.000009138912,0.00008056517,0.0001487467,0.00004495097,0.0003971067],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.00179588,"threshold_uncertainty_score":0.005159616,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005681286697667031,"score_gpt":0.2525583677655647,"score_spread":0.2468770810678977,"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."}}