{"id":"W2735240355","doi":"10.1021/acs.jpcb.7b05685","title":"Solid-State <sup>15</sup>N and <sup>17</sup>O NMR Studies of <i>S</i>-Nitrosothiols","year":2017,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Electron Spin Resonance Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Chemical shift; Coupling constant; Computational chemistry; Carbon-13 NMR satellite; Nuclear magnetic resonance spectroscopy; Stereochemistry; Fluorine-19 NMR; Physical chemistry; Physics","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":[0.0001212465,0.0001526297,0.0001520996,0.00007408613,0.0002164567,0.0001192616,0.000304577,0.0002116275,0.001290986],"category_scores_gemma":[0.0001884644,0.00009962433,0.0001219017,0.0001106743,0.0004379854,0.0001963829,0.0001551036,0.0002540697,0.0001393366],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001494577,"about_ca_system_score_gemma":0.0001324387,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001072746,"about_ca_topic_score_gemma":0.001670913,"domain_scores_codex":[0.999957,0.000009827724,0.000001796045,0.000008337754,0.00001459466,0.000008584753],"domain_scores_gemma":[0.9998901,0.00004006922,0.00002609073,0.0000109935,0.00002073268,0.00001195684],"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":[0.0002625918,0.00004121911,0.0009261206,0.0002351042,0.00002590233,0.0001739008,0.0001676195,0.00511181,0.9890876,0.001569706,0.0002880063,0.00211038],"study_design_scores_gemma":[0.00002860837,0.0004385475,0.002123113,0.00001305206,0.00002358572,0.00007486803,0.0001909015,0.01334698,0.9808304,0.0004386203,0.002469156,0.00002213164],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981648,0.0001359051,0.0007493749,0.00002722908,0.00000623414,0.000002307171,0.00006671758,0.00001144622,0.0008360356],"genre_scores_gemma":[0.9981052,0.0002130463,0.001032046,0.00001138257,0.000004254929,0.000004034753,0.0001660417,0.000007114712,0.0004568682],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001290986,"threshold_uncertainty_score":0.004318774,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01521981116182773,"score_gpt":0.3198211408759857,"score_spread":0.3046013297141579,"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."}}