{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000184229,0.0002834985,0.0001799504,0.0001703652,0.0002120515,0.0001832037,0.0004299947,0.0003305136,0.00122698],"category_scores_gemma":[0.0002792863,0.0001105566,0.0001390463,0.0002402463,0.0002301826,0.0003419748,0.0002300994,0.0003292965,0.0001773911],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003247484,"about_ca_system_score_gemma":0.0001070286,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007972703,"about_ca_topic_score_gemma":0.0004415058,"domain_scores_codex":[0.9998887,0.00001567931,0.000003743263,0.00003145901,0.00003909507,0.00002136541],"domain_scores_gemma":[0.9998583,0.00006619842,0.00003231904,0.000007512994,0.00001913686,0.00001653935],"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":[0.0002549361,0.0000160555,0.001449485,0.00005183976,0.0000122111,0.00006017108,0.00006934406,0.0004784651,0.9961548,0.0001013531,0.00005942766,0.001291893],"study_design_scores_gemma":[0.00003376877,0.0002431523,0.007949216,0.000005973362,0.00001097261,0.0001268385,0.0001488698,0.006945101,0.9834161,0.0001208379,0.0009841839,0.00001503117],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976134,0.0004507868,0.001152562,0.00003649679,0.000005009991,0.000003925687,0.0001670449,0.0000250341,0.0005457055],"genre_scores_gemma":[0.997453,0.0002428402,0.001302413,0.00002027744,0.000003534419,0.000008630847,0.0003705153,0.0000155544,0.0005832596],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00122698,"threshold_uncertainty_score":0.004104674,"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."}}