{"id":"W1983091945","doi":"10.1021/ja068715a","title":"Infrared Multiple Photon Dissociation Spectra of Proline and Glycine Proton-Bound Homodimers. Evidence for Zwitterionic Structure","year":2007,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":87,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Infrared multiphoton dissociation; Protonation; Dimer; Dissociation (chemistry); Ion; Infrared spectroscopy; Proline; Photochemistry; Infrared; Ionic bonding; Spectroscopy; Proton affinity; Crystallography; Stereochemistry; Amino acid; Physical chemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0002699343,0.0001231482,0.0003099669,0.0000155762,0.00008109103,0.00001861612,0.0002842328,0.00007394682,0.00006302506],"category_scores_gemma":[0.0002675553,0.000085109,0.0002964988,0.0002747478,0.0002601397,0.00007224142,0.0000635472,0.0003238538,4.010757e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002096174,"about_ca_system_score_gemma":0.00005599817,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002088014,"about_ca_topic_score_gemma":0.000001163132,"domain_scores_codex":[0.9989512,0.000007590662,0.0004504047,0.0001394179,0.0002582237,0.000193145],"domain_scores_gemma":[0.9981108,0.0002852611,0.001167814,0.0002062498,0.0001596679,0.00007016141],"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":[0.0001727172,0.00006315239,0.01180798,0.0001211229,0.00006632171,1.601746e-7,0.0001732365,9.647732e-7,0.9861533,0.00003327803,0.000473522,0.000934262],"study_design_scores_gemma":[0.0004794723,0.00007719545,0.003948881,0.00009712555,0.00007028016,0.00002267432,0.0001807946,0.0002627209,0.990636,0.003286744,0.0008389669,0.00009917538],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972633,0.0001399398,0.001263784,0.0009015072,0.00001325246,0.0002978304,0.00003109809,0.00001465154,0.00007466714],"genre_scores_gemma":[0.9814723,0.0001285497,0.01797077,0.0001221284,0.0002090729,0.00001646611,0.000003817798,0.00001474318,0.00006218263],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01670699,"threshold_uncertainty_score":0.3470644,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01455800173077357,"score_gpt":0.2976993934082609,"score_spread":0.2831413916774874,"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."}}