{"id":"W2580977733","doi":"10.1002/slct.201601923","title":"Synthesis, Complexation and DFT Computational Studies of Bis(naphthyl)methane‐“Capped” Triazole‐Linked Calix[4]arenes as Fe <sup>3+</sup> Fluorescent Chemosensors","year":2017,"lang":"en","type":"article","venue":"ChemistrySelect","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Western Canada Research Grid; Compute Canada","keywords":"Fluorescence; Titration; Chemistry; Metal ions in aqueous solution; Proton NMR; Triazole; Spectroscopy; Fluorescence spectroscopy; Calixarene; Photochemistry; Ion; Nuclear magnetic resonance spectroscopy; Metal; Methane; Inorganic chemistry; Molecule; Stereochemistry; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009298167,0.0002174453,0.0003280847,0.00008996088,0.0002022781,0.0002189739,0.0004706496,0.000326697,0.003130985],"category_scores_gemma":[0.0002731651,0.0001561091,0.0001350202,0.00009819467,0.0001565247,0.0002217646,0.00012174,0.0002781954,0.0002301132],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005993819,"about_ca_system_score_gemma":0.0002310535,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003632728,"about_ca_topic_score_gemma":0.005918805,"domain_scores_codex":[0.9999522,0.00000775227,0.000001645756,0.000009207698,0.00001589777,0.00001331934],"domain_scores_gemma":[0.9999124,0.00003875411,0.00001537027,0.000005840716,0.00002175327,0.000005935591],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0007649911,0.0004330033,0.003373333,0.0008781131,0.0001052261,0.0006021912,0.0002091637,0.4916182,0.4725075,0.00746613,0.00188462,0.02015758],"study_design_scores_gemma":[0.0001472957,0.0005991236,0.002062427,0.00001066569,0.00003969164,0.00007495983,0.0001274341,0.8229738,0.1705858,0.0004116811,0.002944436,0.00002271578],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960223,0.0001804112,0.001466794,0.00008751346,0.000008654855,0.00001205984,0.0001110559,0.00004014063,0.002071084],"genre_scores_gemma":[0.9956121,0.0001409108,0.00333217,0.00002609807,0.000002363804,0.00001856626,0.000160093,0.00001051062,0.0006972041],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003632728,"threshold_uncertainty_score":0.01047415,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03768120917177582,"score_gpt":0.3022159235944521,"score_spread":0.2645347144226763,"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."}}