{"id":"W2007211476","doi":"10.1021/es7024356","title":"Application of Saturation Transfer Double Difference NMR to Elucidate the Mechanistic Interactions of Pesticides with Humic Acid","year":2008,"lang":"en","type":"article","venue":"Environmental Science & Technology","topic":"Pesticide and Herbicide Environmental Studies","field":"Environmental Science","cited_by":66,"is_retracted":false,"has_abstract":true,"ca_institutions":"The Scarborough Hospital; University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Government of Ontario","keywords":"Chemistry; Electronegativity; Humic acid; Halogen; Binding energy; Nuclear magnetic resonance spectroscopy; Hydrogen bond; Pesticide; Molecule; Computational chemistry; Stereochemistry; Organic chemistry; Alkyl","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":["sts"],"consensus_categories":[],"category_scores_codex":[0.0001652366,0.0002017989,0.000234254,0.0001595701,0.0005418345,0.000007318146,0.0006860948,0.00005864066,0.0005224542],"category_scores_gemma":[0.00001754899,0.0001399429,0.00004029856,0.00092979,0.00411808,0.0002225604,0.0003622756,0.0001801388,0.0001467674],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002903619,"about_ca_system_score_gemma":0.00001363907,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003147745,"about_ca_topic_score_gemma":0.0002558596,"domain_scores_codex":[0.9982412,0.00001808071,0.0003343315,0.0004932673,0.0005571482,0.000355974],"domain_scores_gemma":[0.9992756,0.00003740625,0.0001212193,0.000479358,0.000004954272,0.00008144572],"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":[0.00005490145,0.0001382222,0.07793842,0.000002793261,0.000007954764,0.000002114926,0.0005214199,0.001515817,0.9156626,0.0005302291,0.00000776921,0.003617724],"study_design_scores_gemma":[0.0002572142,0.0003789335,0.37767,0.00001279147,0.0000306112,0.0000641484,0.0005332588,0.0003423481,0.6196004,0.0005692274,0.0003710231,0.0001700594],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9613825,0.00004886135,0.0367914,0.000487369,0.0000311291,0.0005268297,0.0000145966,0.00003550744,0.0006817855],"genre_scores_gemma":[0.9979566,0.00005714702,0.001643613,0.00008314307,0.000008395427,0.0001327577,0.00000534026,0.0000122815,0.0001007089],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2997316,"threshold_uncertainty_score":0.9985921,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009348699822930863,"score_gpt":0.2188136544268108,"score_spread":0.20946495460388,"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."}}