{"id":"W4400430438","doi":"10.3389/fchem.2024.1430457","title":"From 0D-complex to 3D-MOF: changing the antimicrobial activity of zinc(II) via reaction with aminocinnamic acids","year":2024,"lang":"en","type":"article","venue":"Frontiers in Chemistry","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Deprotonation; Chemistry; Zinc; Denticity; Escherichia coli; Crystal structure; Cinnamic acid; Antimicrobial; Molecule; Metal; Zinc nitrate; Inorganic chemistry; Nuclear chemistry; Crystallography; Organic chemistry; Biochemistry","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":[0.0001632178,0.0002369813,0.000321114,0.00005350413,0.0001350578,0.00004765828,0.0003874987,0.000233671,0.0005108555],"category_scores_gemma":[0.00004057147,0.0001912008,0.00009457294,0.0004766015,0.0001198294,0.00008498324,0.0001283407,0.000482496,0.000008785903],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000198687,"about_ca_system_score_gemma":0.00006618077,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001175249,"about_ca_topic_score_gemma":0.000007379793,"domain_scores_codex":[0.9986618,0.00001371069,0.0002767655,0.0005043572,0.000221961,0.0003214051],"domain_scores_gemma":[0.9990352,0.00008542815,0.0001147772,0.0006628315,0.00003252529,0.00006920951],"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":[0.00004610964,0.00007747856,0.0001852117,0.0001781933,0.000102229,0.000004933794,0.0005939751,0.00003055696,0.9754667,0.000006112035,0.004321217,0.01898728],"study_design_scores_gemma":[0.0001587657,0.000005035463,0.0001621181,0.0003620148,0.00007815375,0.00001184301,0.0004995118,0.004958536,0.9826011,0.0001457803,0.010775,0.000242132],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9619341,0.0001614021,0.03235266,0.0008843272,0.0002100654,0.0001184228,0.0001439969,0.0001012425,0.004093711],"genre_scores_gemma":[0.9906253,0.00002673795,0.00734755,0.00005181996,0.0004272989,0.00005738962,0.00007610804,0.00004516952,0.001342593],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02869116,"threshold_uncertainty_score":0.7796941,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00993054213909042,"score_gpt":0.2306180455971951,"score_spread":0.2206875034581046,"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."}}