{"id":"W2324637465","doi":"10.1021/jp110806k","title":"Formation of Host-Guest Complexes of β-Cyclodextrin and Perfluorooctanoic Acid","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":78,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge; University of Saskatchewan","funders":"University of Lethbridge","keywords":"Chemistry; Perfluorooctanoic acid; Molecule; Crystallography; Cyclodextrin; Magic angle spinning; Stoichiometry; Nuclear magnetic resonance spectroscopy; Solid-state nuclear magnetic resonance; NMR spectra database; Proton NMR; Fluorine-19 NMR; Physical chemistry; Organic chemistry; Nuclear magnetic resonance; Spectral line","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":[],"consensus_categories":[],"category_scores_codex":[0.00008047729,0.00008623773,0.0002056737,0.000008718402,0.00003323379,0.000002427481,0.0002289001,0.00003723226,0.00006003392],"category_scores_gemma":[0.00002283684,0.00005901923,0.00008017064,0.00005828572,0.0001690344,0.0001006278,0.00004851392,0.0001732277,3.693856e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001440313,"about_ca_system_score_gemma":0.00001291887,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003753449,"about_ca_topic_score_gemma":1.810295e-7,"domain_scores_codex":[0.9994087,0.00000687057,0.0003085015,0.00004965962,0.000144489,0.00008178333],"domain_scores_gemma":[0.999086,0.00006423619,0.0004915546,0.0001867071,0.0001280192,0.00004346099],"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":[0.00005495934,0.0001278435,0.00003452805,0.0001626885,0.00001279413,3.257548e-7,0.0005193868,0.000003622338,0.9983054,0.0001560552,0.00006271577,0.0005596853],"study_design_scores_gemma":[0.0001889131,0.00003970906,0.00007683855,0.00007861407,0.00005029436,0.00004039041,0.0002978158,0.0002547856,0.9969766,0.001638123,0.0003005635,0.00005734384],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9940632,0.0001618776,0.001297509,0.00003771082,0.000002474379,0.00002720402,0.00002337563,0.000009641259,0.004376998],"genre_scores_gemma":[0.998946,0.0000817615,0.0007629441,0.000003773547,0.0001274414,0.000001984188,0.000002382672,0.000007746908,0.00006596716],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004882789,"threshold_uncertainty_score":0.2406734,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02193799599280307,"score_gpt":0.2656733128915438,"score_spread":0.2437353168987407,"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."}}