{"id":"W2110870283","doi":"10.1021/jp0746648","title":"Histidine, Lysine, and Arginine Radical Cations:  Isomer Control via the Choice of Auxiliary Ligand (L) in the Dissociation of [Cu<sup>II</sup>(L)(amino acid)]<sup>•2+</sup> Complexes","year":2007,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":38,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Histidine; Dissociation (chemistry); Radical ion; Ligand (biochemistry); Fragmentation (computing); Carbon monoxide; Collision-induced dissociation; Crystallography; Denticity; Amino acid; Medicinal chemistry; Stereochemistry; Ion; Mass spectrometry; Tandem mass spectrometry; Crystal structure; Organic chemistry","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":[0.0002137029,0.0002069058,0.0001626432,0.00006338357,0.0001319704,0.0002183009,0.0004187141,0.0001966096,0.0005681341],"category_scores_gemma":[0.0002912884,0.0001128012,0.00006898855,0.0001053148,0.0002046319,0.0001871205,0.0002032689,0.0002897686,0.0001033587],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002642575,"about_ca_system_score_gemma":0.0001199824,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004176075,"about_ca_topic_score_gemma":0.0006674554,"domain_scores_codex":[0.9999328,0.00001233078,0.000003260197,0.00001603972,0.00001386341,0.00002177175],"domain_scores_gemma":[0.9999032,0.00002817495,0.00002866924,0.000008000722,0.00001484336,0.00001700956],"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":[0.000405579,0.00002623896,0.000590897,0.00008125168,0.00001154416,0.00005146322,0.0001330437,0.0007528058,0.9949509,0.0003434612,0.00007618387,0.002576666],"study_design_scores_gemma":[0.00003913565,0.0001481967,0.001106055,0.000003244331,0.000008467198,0.00005887094,0.00005252619,0.003730143,0.9940677,0.00008425718,0.0006912238,0.00001027482],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985068,0.0001507109,0.0009527263,0.00002259385,0.000003177072,0.000006072138,0.00002250615,0.00002540369,0.0003098985],"genre_scores_gemma":[0.9985902,0.0001103485,0.00100223,0.00001476236,0.000001205608,0.00000635578,0.00003471077,0.00001063769,0.0002295275],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005681341,"threshold_uncertainty_score":0.001917303,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00931767660660162,"score_gpt":0.2636790386005308,"score_spread":0.2543613619939292,"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."}}