{"id":"W2982409590","doi":"10.1021/acs.analchem.9b03596","title":"Understanding the Fate of Environmental Chemicals Inside Living Organisms: NMR-Based <sup>13</sup>C Isotopic Suppression Selects Only the Molecule of Interest within <sup>13</sup>C-Enriched Organisms","year":2019,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Ontario Ministry of Research, Innovation and Science; Krembil Foundation; Canada Foundation for Innovation; Government of Ontario","keywords":"Chemistry; Organism; Biotransformation; Nuclear magnetic resonance spectroscopy; Daphnia magna; Molecule; Carbon-13 NMR; Metabolomics; In vivo; Environmental chemistry; Bioaccumulation; Proton NMR; Biochemistry; Stereochemistry; Chromatography; Organic chemistry; Toxicity; Biology","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":[0.0002867127,0.0003385543,0.0002238795,0.0001966212,0.0002176662,0.0004570307,0.00036452,0.00084551,0.0009730792],"category_scores_gemma":[0.000293823,0.0002465152,0.0001875442,0.000211228,0.0006423738,0.001038594,0.000322769,0.0009477445,0.0006216265],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003329199,"about_ca_system_score_gemma":0.0003035149,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008090239,"about_ca_topic_score_gemma":0.001179296,"domain_scores_codex":[0.9998773,0.00001301341,0.000004952761,0.00003868027,0.00004755786,0.00001837714],"domain_scores_gemma":[0.999826,0.00006008084,0.00004745435,0.00001454148,0.00003656079,0.00001533701],"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":[0.0000358186,0.000009719801,0.0004626525,0.0001653779,0.000004574154,0.00005058936,0.00002805071,0.0002585051,0.991399,0.0005084229,0.0002132597,0.006864076],"study_design_scores_gemma":[0.000004199805,0.0001098174,0.002706767,0.00002581678,0.00002792362,0.000214302,0.00007849924,0.003881344,0.982399,0.0007041984,0.009830343,0.00001781026],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7558479,0.02963961,0.1933935,0.002899615,0.0003362436,0.000155086,0.001220252,0.0007303723,0.01577749],"genre_scores_gemma":[0.8449529,0.03482142,0.1092922,0.001682179,0.0002158918,0.000171239,0.001361633,0.0001389457,0.007363539],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009730792,"threshold_uncertainty_score":0.003255248,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.023127573561009,"score_gpt":0.232178656039241,"score_spread":0.209051082478232,"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."}}