{"id":"W4368372534","doi":"10.1021/acs.cgd.3c00364","title":"Enhanced Direct Crystallization Resolution of Racemates Mediated in Chiral Ionic Liquid Cosolvent Mixtures: Experimental, Statistical, and QM Simulation Studies","year":2023,"lang":"en","type":"article","venue":"Crystal Growth & Design","topic":"Ionic liquids properties and applications","field":"Chemical Engineering","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"National Natural Science Foundation of China","keywords":"Chemistry; Ionic liquid; Nucleation; Crystallization; Enantiomer; Yield (engineering); Homochirality; Chirality (physics); Mole fraction; Racemic mixture; Enantiomeric excess; Solubility; Crystallography; Physical chemistry; Organic chemistry; Enantioselective synthesis; Thermodynamics; Catalysis; Chiral symmetry breaking","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002742324,0.0001760585,0.0002878846,0.000129874,0.000100058,0.00001952043,0.00008641979,0.00009302128,0.00002515966],"category_scores_gemma":[0.000503197,0.0001593487,0.00003348195,0.0004507797,0.0001189597,0.0001503621,0.00008162046,0.00009447839,0.000007634917],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001184308,"about_ca_system_score_gemma":0.00003193412,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002031885,"about_ca_topic_score_gemma":0.000002200945,"domain_scores_codex":[0.9986932,0.0000845582,0.0004638695,0.0002898318,0.0001995851,0.0002689449],"domain_scores_gemma":[0.9990395,0.000547844,0.0001054946,0.000141254,0.0001051439,0.0000607361],"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":[0.0002760998,0.00008750761,0.00000314708,0.000184803,0.00003979422,0.000002184538,0.001558479,0.1038523,0.8905181,0.003255652,0.0001777801,0.00004419092],"study_design_scores_gemma":[0.0007569087,0.0003302236,0.00002934011,0.0002122867,0.00002358967,7.899988e-7,0.0007637668,0.3897884,0.6070792,0.0007286273,0.00006124402,0.0002256331],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5422698,0.003878876,0.4512845,0.0002206748,0.0001338967,0.001312707,0.00006337551,0.0004503909,0.0003857859],"genre_scores_gemma":[0.9981939,0.000400177,0.0009199762,0.0000165675,0.00003729521,0.0001890562,0.0001140849,0.00003070618,0.00009826259],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4559241,"threshold_uncertainty_score":0.6498051,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04009544476003805,"score_gpt":0.300088258939112,"score_spread":0.2599928141790739,"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."}}