{"id":"W2577686674","doi":"10.1139/cjc-2016-0507","title":"Computational investigations on structural and electronic properties of CuI nanoparticles immobilized on modified poly(styrene-<i>co</i>-maleic anhydride), leading to an unexpected but efficient catalyzed synthesis of 1,4-dihydropyridine via Hantzsch pyridine synthesis","year":2017,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Multicomponent Synthesis of Heterocycles","field":"Chemistry","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Alzahra University; Iran National Science Foundation","keywords":"Chemistry; Maleic anhydride; Pyridine; Density functional theory; Catalysis; Styrene; Molecule; Ligand (biochemistry); Solvent; Computational chemistry; Combinatorial chemistry; Polymer chemistry; Organic chemistry; Copolymer","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002926371,0.0003909677,0.0008092017,0.00021667,0.0004600164,0.0001323536,0.0007908086,0.0001669254,0.0001235702],"category_scores_gemma":[0.001834088,0.0003576194,0.0001840416,0.00007348818,0.0006112652,0.0001855237,0.00004026437,0.0003200228,0.000002467016],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003624495,"about_ca_system_score_gemma":0.0006509593,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001703411,"about_ca_topic_score_gemma":0.0004462259,"domain_scores_codex":[0.9975021,0.00006208995,0.0009599972,0.0004007696,0.0005102406,0.0005648042],"domain_scores_gemma":[0.9967281,0.0004516915,0.001043827,0.0006819454,0.0002452746,0.0008491651],"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":[0.0003908041,0.00008903079,0.001702624,0.0002997561,0.0001838388,0.00002024333,0.0002793299,0.01821938,0.9780393,0.00001858181,0.000009527379,0.0007475675],"study_design_scores_gemma":[0.0006648141,0.00004180344,0.001374453,0.001147295,0.0001160385,0.00008870623,0.0002049311,0.01179981,0.9841466,0.00007464849,0.000006191138,0.0003347326],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986501,0.0003150712,0.00001098096,0.0005371714,0.00004383642,0.0001205542,0.0001798754,0.00001777848,0.0001246599],"genre_scores_gemma":[0.9995258,0.000007261634,0.0002511226,0.00001548558,0.0001020534,0.00001916383,0.00001290068,0.00005345175,0.00001271692],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006419572,"threshold_uncertainty_score":0.9998876,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02148077259399115,"score_gpt":0.2461854177292067,"score_spread":0.2247046451352156,"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."}}