{"id":"W1977929769","doi":"10.1021/jp046626j","title":"One-Electron Oxidation of Methionine in Peptide Environments:  The Effect of Three-Electron Bonding on the Reduction Potential of the Radical Cation","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":58,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Alzheimer Society","keywords":"Chemistry; Radical; Solvation; Radical ion; Bond-dissociation energy; Amine gas treating; Dissociation (chemistry); Sulfide; Redox; Amide; Amino acid; Medicinal chemistry; Computational chemistry; Crystallography; Stereochemistry; Inorganic chemistry; Physical chemistry; Organic chemistry; Molecule; Ion","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":[0.0002485451,0.0003539374,0.0003041061,0.0001030046,0.0002712293,0.000256182,0.0004007363,0.0002786729,0.001251596],"category_scores_gemma":[0.0003030384,0.0001372645,0.000138182,0.00009643132,0.0003134078,0.000239389,0.0003457146,0.0004232107,0.0001127515],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000270579,"about_ca_system_score_gemma":0.0002104582,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007153081,"about_ca_topic_score_gemma":0.001114837,"domain_scores_codex":[0.9999335,0.00001437169,0.000002339202,0.0000105176,0.00002052089,0.0000187348],"domain_scores_gemma":[0.9998955,0.00005529561,0.00001343646,0.000006162535,0.00001346653,0.00001608477],"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":[0.001839415,0.0002761473,0.003999953,0.0007771715,0.0001153448,0.0007637994,0.0004464021,0.04599619,0.9280333,0.004369533,0.0003831512,0.01299956],"study_design_scores_gemma":[0.0004020043,0.004274861,0.007831567,0.00006115704,0.000143178,0.0003563959,0.0005038367,0.1543244,0.827283,0.002139613,0.002597839,0.00008217996],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9988708,0.0001865951,0.0003900754,0.00001771082,0.000004607868,0.000004273335,0.00001045346,0.000008655009,0.0005067696],"genre_scores_gemma":[0.9991425,0.0001808997,0.0004286156,0.000007958419,0.000001621432,0.000004820415,0.00002864614,0.000005789597,0.000199029],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001251596,"threshold_uncertainty_score":0.004187047,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006266859793926906,"score_gpt":0.2278060266333836,"score_spread":0.2215391668394567,"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."}}