{"id":"W2782883348","doi":"10.1039/c7cp06657k","title":"Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy","year":2018,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"Regional Municipality of Waterloo; University of Waterloo","funders":"Sapienza Università di Roma; European Commission","keywords":"Halide; Infrared multiphoton dissociation; Ion; Covalent bond; Chemistry; Spectroscopy; Photochemistry; Tyrosine; Inorganic chemistry; Organic chemistry; Physics; Biochemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001829368,0.000256846,0.000247933,0.0001045956,0.0002596749,0.0003478218,0.0005391028,0.0004072333,0.001495051],"category_scores_gemma":[0.0005319574,0.0001680258,0.0001000886,0.000137748,0.0005316351,0.0003096699,0.0004813044,0.0004688125,0.0001777467],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003300215,"about_ca_system_score_gemma":0.0001397492,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001123258,"about_ca_topic_score_gemma":0.0008520639,"domain_scores_codex":[0.9998379,0.00002348991,0.000004720177,0.00003359215,0.00005776757,0.00004241811],"domain_scores_gemma":[0.9998651,0.00005622668,0.0000268631,0.00001759334,0.00002037334,0.00001390063],"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":[0.000572298,0.00005940249,0.002390607,0.0002190135,0.00003817268,0.0003763214,0.0002589537,0.002740019,0.9868343,0.001380509,0.0004820385,0.004648372],"study_design_scores_gemma":[0.00003959623,0.00017015,0.003914854,0.00001138127,0.00001728809,0.0001728094,0.0001933234,0.02098461,0.9720578,0.0007068805,0.001707145,0.00002417179],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9956018,0.0003020564,0.002321904,0.0001182803,0.00001304737,0.000009044567,0.00005470274,0.00004654886,0.001532744],"genre_scores_gemma":[0.9988419,0.0001186629,0.0005384399,0.00002377882,0.000001655905,0.000005576136,0.00004671745,0.00001175831,0.0004114658],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001495051,"threshold_uncertainty_score":0.005001485,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0123916871951496,"score_gpt":0.3040543957106555,"score_spread":0.2916627085155059,"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."}}