{"id":"W2163819082","doi":"10.1021/jp071902q","title":"Infrared Spectroscopy of Cationized Lysine and ε-<i>N</i>-methyllysine in the Gas Phase:  Effects of Alkali-Metal Ion Size and Proton Affinity on Zwitterion Stability","year":2007,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":112,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Nederlandse Organisatie voor Wetenschappelijk Onderzoek","keywords":"Chemistry; Infrared multiphoton dissociation; Protonation; Proton affinity; Zwitterion; Infrared spectroscopy; Hydrogen bond; Alkali metal; Dissociation (chemistry); Crystallography; Amine gas treating; Ion; Metal; Lysine; Inorganic chemistry; Physical chemistry; Molecule; Amino acid; 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":[0.0008946923,0.0001478478,0.0003690768,0.00002354504,0.0000495483,0.00001175941,0.0002377189,0.00006262439,0.00006996353],"category_scores_gemma":[0.0003552232,0.00008974085,0.00009128446,0.0002908955,0.0002227185,0.00005641668,0.00004590178,0.000405472,8.816465e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000468792,"about_ca_system_score_gemma":0.00003043374,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001364046,"about_ca_topic_score_gemma":7.510177e-7,"domain_scores_codex":[0.9988947,0.00006100148,0.0004583722,0.0001254966,0.0003165428,0.0001438958],"domain_scores_gemma":[0.9977613,0.001172627,0.0005790503,0.000331323,0.0001029131,0.00005276308],"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":[0.0006100168,0.00105748,0.000122294,0.0005391106,0.00002834463,0.000002041859,0.0003850705,0.000002282319,0.9968346,0.00009089374,0.00001007981,0.0003177562],"study_design_scores_gemma":[0.001352518,0.0003039392,0.0009773753,0.0001200043,0.00008973267,0.00002295913,0.0001423067,0.00009071695,0.9925707,0.004204637,0.00004856673,0.00007653843],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974273,0.00008013039,0.0002025917,0.0002907446,0.000002892558,0.0002322755,0.000009668981,0.000007639349,0.001746796],"genre_scores_gemma":[0.9994856,0.00006109953,0.0002649836,0.00001739885,0.0001308359,0.00001266317,0.00000378512,0.000008385382,0.00001529894],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004263924,"threshold_uncertainty_score":0.3659526,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00786858926867246,"score_gpt":0.2819441844579264,"score_spread":0.2740755951892539,"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."}}