{"id":"W2330501995","doi":"10.1021/jp2068655","title":"Structures of Bare and Hydrated [Pb(AminoAcid-H)]<sup>+</sup> Complexes Using Infrared Multiple Photon Dissociation Spectroscopy","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Natural Sciences and Engineering Research Council of Canada; Western Canada Research Grid","keywords":"Deprotonation; Infrared multiphoton dissociation; Chemistry; Dissociation (chemistry); Carboxylate; Side chain; Infrared spectroscopy; Amine gas treating; Hydrogen bond; Molecule; Carboxylic acid; Photochemistry; Stereochemistry; Medicinal chemistry; Crystallography; Polymer chemistry; Organic chemistry; Ion","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001046774,0.0001731485,0.0003224713,0.0000224738,0.0001061268,0.00001767569,0.0003093637,0.00008409252,0.0006278564],"category_scores_gemma":[0.00007241065,0.0001255917,0.0001195817,0.0001598154,0.0001569767,0.00009202961,0.00007014249,0.0003445467,3.440959e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007656091,"about_ca_system_score_gemma":0.0000360577,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004571015,"about_ca_topic_score_gemma":5.74883e-7,"domain_scores_codex":[0.9990591,0.00002089454,0.0003661218,0.0001203629,0.0002558208,0.0001776736],"domain_scores_gemma":[0.9989652,0.0001279741,0.0004225242,0.0002563204,0.0001420414,0.00008591635],"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":[0.00008510325,0.0001335205,0.001054134,0.000103746,0.00006451053,0.000001197587,0.0008877561,0.00006312751,0.9973454,0.0001587018,0.00005407374,0.00004869082],"study_design_scores_gemma":[0.0003421952,0.00003915875,0.0007179903,0.00005194885,0.0001018113,0.0000278814,0.0005323185,0.007345353,0.9815599,0.009114135,0.00004372827,0.0001235835],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9951448,0.00006204161,0.0003664713,0.00001838027,0.000003625294,0.00005266989,0.00005242449,0.00002475183,0.004274779],"genre_scores_gemma":[0.9978116,0.00001963164,0.001888757,0.000007967946,0.0001900485,0.000002137369,0.00001204822,0.00001863774,0.00004914627],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01578554,"threshold_uncertainty_score":0.6874586,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02013613957218196,"score_gpt":0.2611334474131345,"score_spread":0.2409973078409526,"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."}}