{"id":"W3164887061","doi":"10.1021/acs.analchem.1c01040","title":"Simultaneous Quantification of the Concentration and Carbon Isotopologue Distribution of Polar Metabolites in a Single Analysis by Gas Chromatography and Mass Spectrometry","year":2021,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"H2020 Health; Universitair Medisch Centrum Groningen; European Commission; KWF Kankerbestrijding; Ministère de l'Économie, de la Science et de l'Innovation - Québec","keywords":"Chemistry; Isotopologue; Mass spectrometry; Chromatography; Polar; Gas chromatography; Gas chromatography–mass spectrometry; Analytical Chemistry (journal); Organic chemistry; Molecule","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0006600642,0.000965985,0.0007443861,0.001163851,0.0008405885,0.0007659339,0.0005989627,0.00120467,0.0009170413],"category_scores_gemma":[0.001288967,0.0004663775,0.0003934873,0.0009645503,0.0006529363,0.001007409,0.0006879052,0.0009768133,0.0005139812],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006034132,"about_ca_system_score_gemma":0.001216937,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001586856,"about_ca_topic_score_gemma":0.003627773,"domain_scores_codex":[0.9990665,0.0000980582,0.00002680506,0.0003633611,0.0003659957,0.00007929144],"domain_scores_gemma":[0.9990768,0.000219794,0.0001180678,0.0001178318,0.0003410825,0.0001263279],"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":[0.0001416412,0.00001950093,0.0004484689,0.0000255135,0.00002223719,0.0000260862,0.00001105049,0.00004616445,0.9952798,0.00007098102,0.00007219803,0.003836386],"study_design_scores_gemma":[0.00001823043,0.0001235542,0.004015728,0.000008636736,0.00004013276,0.0004160161,0.00003196228,0.002488187,0.9912685,0.0003247988,0.001238129,0.00002610238],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.5949432,0.0077632,0.384911,0.0007113528,0.0005106509,0.0005662693,0.004474792,0.001462092,0.004657398],"genre_scores_gemma":[0.6977908,0.003811432,0.2899766,0.0007288787,0.0002274316,0.0006024187,0.002818716,0.0002991846,0.003744577],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.001586856,"threshold_uncertainty_score":0.004378021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005540883273595732,"score_gpt":0.2248034684951694,"score_spread":0.2192625852215737,"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."}}