{"id":"W2105922594","doi":"10.1002/cphc.200800543","title":"An Investigation of Protonation Sites and Conformations of Protonated Amino Acids by IRMPD Spectroscopy","year":2008,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":84,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada; European Commission","keywords":"Protonation; Infrared multiphoton dissociation; Chemistry; Intramolecular force; Hydrogen bond; Proton affinity; Amino acid; Photochemistry; Infrared spectroscopy; Crystallography; Spectroscopy; Dissociation (chemistry); Stereochemistry; Molecule; Ion; 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":[0.000230784,0.0003899267,0.0002831935,0.0003144685,0.0002503948,0.0002744644,0.0006131659,0.0005471482,0.001655304],"category_scores_gemma":[0.0005813274,0.0002167694,0.0002254359,0.0003792566,0.0002961632,0.0005682709,0.0002754907,0.0006046307,0.000224891],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002323771,"about_ca_system_score_gemma":0.0001088356,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002375012,"about_ca_topic_score_gemma":0.0001863241,"domain_scores_codex":[0.9998726,0.00001962821,0.000004134719,0.0000289039,0.00005530868,0.00001938468],"domain_scores_gemma":[0.9998282,0.00007600359,0.00003793139,0.00001266299,0.00003390307,0.00001135883],"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":[0.0004616483,0.0000667008,0.003683821,0.0005902205,0.00008019232,0.0005038573,0.0001636184,0.009785403,0.9682031,0.001947767,0.0004160599,0.01409754],"study_design_scores_gemma":[0.00009720487,0.0006892612,0.009966147,0.00004335058,0.00008697408,0.0006863711,0.0003045238,0.1127843,0.868863,0.001905703,0.004508192,0.00006507066],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9851074,0.001398474,0.01026199,0.00008378887,0.00002115127,0.00002013571,0.0002822857,0.00006684769,0.002757948],"genre_scores_gemma":[0.9903818,0.0008148781,0.00812983,0.00003040231,0.000006343143,0.00002083231,0.0002801433,0.00001637038,0.0003193346],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001655304,"threshold_uncertainty_score":0.00553757,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01510405110007555,"score_gpt":0.2611153422645881,"score_spread":0.2460112911645126,"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."}}