{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009734366,0.0002308602,0.0005008092,0.00004386829,0.0001971249,0.00002063291,0.0007434308,0.0001233018,0.0001165218],"category_scores_gemma":[0.000327238,0.0001308563,0.000207962,0.0004421063,0.0004786129,0.0001008938,0.00008030898,0.0007358513,7.393232e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009624059,"about_ca_system_score_gemma":0.00006020791,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008268228,"about_ca_topic_score_gemma":0.000004180579,"domain_scores_codex":[0.998112,0.00006496282,0.0008060796,0.000166272,0.0005778889,0.0002728151],"domain_scores_gemma":[0.9969085,0.001495197,0.000805631,0.0004925765,0.0002114916,0.00008661929],"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":[0.0001448343,0.0008390294,0.001965988,0.0001538841,0.0001390788,0.000002218822,0.001694062,0.000329724,0.9918893,0.001073762,0.0008280449,0.0009400772],"study_design_scores_gemma":[0.002000285,0.0001541119,0.008334586,0.0001949496,0.0005383493,0.0001065288,0.001802166,0.01580735,0.9624704,0.005577216,0.002714259,0.0002998667],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993321,0.0005627378,0.0009439248,0.002644988,0.000004392572,0.0001574585,0.00006113757,0.00001577838,0.002288566],"genre_scores_gemma":[0.9989061,0.00009577506,0.0001297562,0.00008518429,0.0005595735,0.00001364955,0.00001885928,0.00001906673,0.000172046],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02941897,"threshold_uncertainty_score":0.5336165,"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."}}