{"id":"W1999103550","doi":"10.1021/ja065088g","title":"Investigation of Proton Transport Tautomerism in Clusters of Protonated Nucleic Acid Bases (Cytosine, Uracil, Thymine, and Adenine) and Ammonia by High-Pressure Mass Spectrometry and Ab Initio Calculations","year":2006,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":43,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"University of Waterloo","keywords":"Chemistry; Tautomer; Thymine; Uracil; Cytosine; Protonation; Nucleobase; Nucleic acid; Ab initio; Mass spectrometry; Ammonia; Computational chemistry; Proton; Guanine; Stereochemistry; Organic chemistry; DNA; Nucleotide; Biochemistry; Chromatography; 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":[0.0001311099,0.0001494011,0.0003999239,0.00004851666,0.00004438153,0.00001222278,0.0001518188,0.00008895657,0.00003129372],"category_scores_gemma":[0.00002657054,0.0001158977,0.0001111534,0.0005041399,0.0006299663,0.00009779321,0.00003967989,0.0003381521,2.086473e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005310446,"about_ca_system_score_gemma":0.0000399216,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003595597,"about_ca_topic_score_gemma":0.000002782812,"domain_scores_codex":[0.9988627,0.00002073644,0.0005559069,0.0001666583,0.0002512877,0.0001426883],"domain_scores_gemma":[0.9987995,0.00007011943,0.0008354573,0.0001524017,0.00007438353,0.0000681612],"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":[0.00003722647,0.00005969662,0.08295806,0.0001929432,0.00004565631,4.931017e-7,0.00007302341,0.000005588353,0.9162049,0.00006221993,0.0002832967,0.0000769258],"study_design_scores_gemma":[0.0006111265,0.00006018691,0.05196498,0.0001185567,0.0001009409,0.00002808449,0.0001289955,0.0005504313,0.9451537,0.001020854,0.0001355114,0.0001266939],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998001,0.0002369347,0.0001725786,0.001095167,0.000002835451,0.0002928804,0.00009220251,0.00001508279,0.00009126854],"genre_scores_gemma":[0.98614,0.0001685841,0.01352052,0.00004985298,0.0000317448,0.00003753186,0.00001493822,0.00001596643,0.00002085642],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03099308,"threshold_uncertainty_score":0.4726172,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00556986357405498,"score_gpt":0.2191951935103115,"score_spread":0.2136253299362565,"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."}}