{"id":"W4394743726","doi":"10.1038/s41467-024-47402-5","title":"Solvent-free selective hydrogenation of nitroaromatics to azoxy compounds over Co single atoms decorated on Nb2O5 nanomeshes","year":2024,"lang":"en","type":"article","venue":"Nature Communications","topic":"Nanomaterials for catalytic reactions","field":"Chemistry","cited_by":79,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Beijing Synchrotron Radiation Facility; National Synchrotron Radiation Laboratory; Natural Science Foundation of Heilongjiang Province; National Natural Science Foundation of China","keywords":"Catalysis; Selectivity; Azoxy; Combinatorial chemistry; Chemistry; Substrate (aquarium); Density functional theory; Computational chemistry; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004975034,0.0002524521,0.0001810238,0.000135612,0.000118583,0.0001886438,0.0002339093,0.0001946226,0.0008446287],"category_scores_gemma":[0.0001088126,0.0001140874,0.0001086028,0.00009596743,0.0001441174,0.0001884254,0.0002181961,0.0001916373,0.0003030777],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002563171,"about_ca_system_score_gemma":0.0001068658,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006769368,"about_ca_topic_score_gemma":0.001712389,"domain_scores_codex":[0.9999417,0.000003776162,0.000004323434,0.00001595931,0.00001825504,0.00001597663],"domain_scores_gemma":[0.9999697,0.000004571691,0.000008546762,0.000005132292,0.000005558616,0.000006335975],"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":[0.00002190654,0.000005896111,0.00009349694,0.0000448848,0.000003891213,0.00002754371,0.000009037156,0.0001583802,0.9981957,0.0001752608,0.00006324292,0.001200755],"study_design_scores_gemma":[0.000003122879,0.00003806718,0.0004955423,0.00000287375,0.000004556255,0.00002851334,0.00001198093,0.00132218,0.9966989,0.00002237615,0.001368501,0.00000346617],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9917338,0.0007351809,0.003966081,0.00005426235,0.00004577775,0.00001515943,0.0002127066,0.000104326,0.003132823],"genre_scores_gemma":[0.9957034,0.0002554339,0.002909305,0.00001469999,0.000004309167,0.00001591459,0.0001536072,0.00001725198,0.0009262207],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008446287,"threshold_uncertainty_score":0.002825558,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01998095248549481,"score_gpt":0.3008276431904802,"score_spread":0.2808466907049854,"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."}}