{"id":"W4412588018","doi":"10.3390/metabo15080496","title":"Study of Metabolite Detectability in Simultaneous Profiling of Amine/Phenol and Hydroxyl Submetabolomes by Analyzing a Mixture of Two Separately Dansyl-Labeled Samples","year":2025,"lang":"en","type":"article","venue":"Metabolites","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; The Metabolomics Innovation Centre","funders":"Natural Sciences and Engineering Research Council of Canada; Alberta Innovates; Genome Canada; Mitacs; Canada Foundation for Innovation; University of Alberta","keywords":"Chemistry; Derivatization; Metabolite; Metabolome; Dansyl chloride; Metabolomics; Chromatography; Amine gas treating; Phenol; Mass spectrometry; Reagent; Organic chemistry; Biochemistry","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":[0.0007529897,0.0005746093,0.0002833699,0.0004118512,0.0002083784,0.0003864326,0.0002777454,0.0005293382,0.0007892976],"category_scores_gemma":[0.0007537694,0.0001994825,0.0003801934,0.0002907382,0.0003309002,0.0004033179,0.0003132883,0.0006108633,0.0003148955],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004213561,"about_ca_system_score_gemma":0.0004025387,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000687209,"about_ca_topic_score_gemma":0.001085454,"domain_scores_codex":[0.9995545,0.00004585852,0.0000164852,0.0001730276,0.000155655,0.00005461379],"domain_scores_gemma":[0.9995597,0.0001316157,0.0001220943,0.00003545448,0.000113831,0.00003726663],"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":[0.0001561563,0.00002751044,0.0003741866,0.0000287321,0.00001162539,0.00001659499,0.00001700892,0.0001115942,0.9970452,0.0000512165,0.00002234853,0.002137827],"study_design_scores_gemma":[0.000007929701,0.000204054,0.001663735,0.000002395493,0.00002059648,0.00004524294,0.00001068653,0.002686237,0.994868,0.00002570689,0.0004572259,0.000008074187],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9477084,0.0009387226,0.0492644,0.0001017662,0.00004056579,0.0001090666,0.000356695,0.000223724,0.00125659],"genre_scores_gemma":[0.9375629,0.0008271899,0.05880732,0.0001279442,0.00001957494,0.0002279248,0.0005258757,0.00008839833,0.001812882],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007892976,"threshold_uncertainty_score":0.003982186,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008950512576313883,"score_gpt":0.2808588857120774,"score_spread":0.2719083731357635,"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."}}