{"id":"W2339555840","doi":"10.1021/acs.jnatprod.5b01082","title":"IR and Vibrational Circular Dichroism Spectroscopy of Matrine- and Artemisinin-Type Herbal Products: Stereochemical Characterization and Solvent Effects","year":2016,"lang":"en","type":"article","venue":"Journal of Natural Products","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; China Scholarship Council; Canada Foundation for Innovation; University of Alberta","keywords":"Matrine; Artemisinin; Dihydroartemisinin; Chemistry; Circular dichroism; Oxymatrine; Vibrational circular dichroism; Solvent; Sophora flavescens; Stereochemistry; Combinatorial chemistry; Organic chemistry; Chromatography; Medicine; Plasmodium falciparum","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":[0.0002351977,0.0001871605,0.0003368646,0.00005478118,0.0000515943,0.00004083876,0.00009467468,0.00009547736,0.00001689952],"category_scores_gemma":[0.0004226707,0.0001272502,0.00003711946,0.0001013872,0.0001530098,0.0003075497,0.00006726304,0.0002548839,5.117581e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004516325,"about_ca_system_score_gemma":0.00008289666,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":9.991168e-7,"about_ca_topic_score_gemma":1.584829e-7,"domain_scores_codex":[0.9986991,0.00004270086,0.0004406399,0.0003060202,0.0003265331,0.0001850393],"domain_scores_gemma":[0.998956,0.00005059144,0.0004589665,0.0001885368,0.0002526085,0.00009328741],"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":[0.0003013682,0.0000627671,0.00370058,0.0007368015,0.00007808996,0.00002375982,0.00008170636,5.373153e-8,0.9938877,0.0001091558,0.00008573013,0.0009323374],"study_design_scores_gemma":[0.001004246,0.0001718071,0.02202973,0.000281765,0.00006649888,0.0004622201,0.000006736876,0.000009874501,0.9751077,0.0003418837,0.0003695486,0.00014796],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9924443,0.004019475,0.0001619659,0.002987151,0.0002361517,0.0001043195,0.00000834797,0.00001045819,0.0000277889],"genre_scores_gemma":[0.9970387,0.0005685976,0.001566327,0.00004894788,0.0006445808,8.689691e-7,0.00001168739,0.00001559078,0.0001046985],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01877992,"threshold_uncertainty_score":0.5189114,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005552871278465873,"score_gpt":0.2286920930701863,"score_spread":0.2231392217917205,"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."}}