{"id":"W2055446815","doi":"10.1002/mrc.1595","title":"Concerning the origin of <sup>19</sup>F<sup>19</sup>F NMR COSY and NOESY connections in the spectra of perfluorooctanoic acid, R<sub>F</sub>‐palmitic acid‐F<sub>13</sub> and diethyl perfluorosuberate","year":2005,"lang":"en","type":"article","venue":"Magnetic Resonance in Chemistry","topic":"Per- and polyfluoroalkyl substances research","field":"Environmental Science","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"Health Canada; Carleton University","funders":"","keywords":"Chemistry; Two-dimensional nuclear magnetic resonance spectroscopy; Palmitic acid; Perfluorooctanoic acid; NMR spectra database; Spectral line; Crystallography; Nuclear Overhauser effect; Nuclear magnetic resonance spectroscopy; Stereochemistry; Fatty acid; Organic chemistry","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0003513277,0.0004688105,0.0001869529,0.000356164,0.0004364656,0.0002523356,0.0003693925,0.0003844713,0.001832905],"category_scores_gemma":[0.001186862,0.0002004881,0.0001454186,0.0003412619,0.0007225819,0.0005500928,0.0002183091,0.0004143325,0.0002230252],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003190436,"about_ca_system_score_gemma":0.0004349842,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009254236,"about_ca_topic_score_gemma":0.001222707,"domain_scores_codex":[0.9999198,0.00002233251,0.000004511176,0.00001520191,0.00002653756,0.00001156427],"domain_scores_gemma":[0.9993337,0.0002900588,0.0002352281,0.00004623187,0.00006466325,0.00003001064],"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":[0.0009120877,0.00007168284,0.009742686,0.0003761494,0.00005949147,0.002760575,0.000476487,0.03461856,0.8786219,0.03311499,0.0002162293,0.03902909],"study_design_scores_gemma":[0.00005384417,0.0006178061,0.02696286,0.00006579702,0.00009436158,0.001848861,0.0006194616,0.0979008,0.8455099,0.02062272,0.005613485,0.00009001091],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9693046,0.000962391,0.02483948,0.000209263,0.00002850785,0.0000247367,0.0001150978,0.00007063429,0.004445281],"genre_scores_gemma":[0.9935046,0.0006172105,0.005198418,0.00002122531,0.000008999396,0.00001638649,0.00009072761,0.00001273985,0.0005294919],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001832905,"threshold_uncertainty_score":0.006131649,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01547812526990386,"score_gpt":0.2466781928664811,"score_spread":0.2312000675965772,"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."}}