{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0008250023,0.0003591002,0.001341036,0.0003739815,0.00005636924,0.00001447166,0.0003081093,0.0001289106,0.000004704932],"category_scores_gemma":[0.001269912,0.0003126619,0.0001519628,0.0009491795,0.0002567979,0.00001207738,0.0002966548,0.0001529149,1.060315e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009776195,"about_ca_system_score_gemma":0.00007210111,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003742256,"about_ca_topic_score_gemma":0.0002802375,"domain_scores_codex":[0.9973695,0.0003347203,0.001048432,0.0006506744,0.0002188361,0.0003778162],"domain_scores_gemma":[0.9982888,0.0003055126,0.0004425217,0.0005883086,0.000316218,0.0000586353],"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":[0.000180423,0.0005498806,0.2135928,0.0001777592,0.0004228543,0.000001039645,0.0003093124,0.0001396112,0.7830703,0.0004576078,0.00000389786,0.001094424],"study_design_scores_gemma":[0.00227548,0.0002863496,0.02186274,0.00001564718,0.0004345454,0.000001093022,0.001076115,0.0001685829,0.9725869,0.000421201,0.0006304196,0.0002409531],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9226881,0.07590418,0.0003195289,0.00001496817,0.00007691604,0.0006742247,0.0002219714,0.000008923226,0.00009114088],"genre_scores_gemma":[0.9949536,0.001545584,0.003249216,0.0000152522,0.00002570706,0.00005022366,0.00004831619,0.00002107692,0.00009106746],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1917301,"threshold_uncertainty_score":0.9999325,"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."}}