{"id":"W2047478356","doi":"10.1135/cccc20041109","title":"Synthesis and ESI-MS Alkali Metal Ion Binding Selectivities of Cone, Partial Cone, and 1,3-Alternate 1,3-Bis(α-picolyloxy)-p-tert-butylcalix[4]arene Crown-6 and 1,1'-Binaphthalene-2,2'-diyl Crown-6 Conformers","year":2004,"lang":"en","type":"article","venue":"Collection of Czechoslovak Chemical Communications","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; University of Guelph","funders":"","keywords":"Calixarene; Conformational isomerism; Chemistry; Alkali metal; Electrospray ionization; Metal ions in aqueous solution; Selectivity; Crystallography; Ion; Nuclear magnetic resonance spectroscopy; Stereochemistry; Molecule; Organic chemistry; Catalysis","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0002751859,0.0003310772,0.000606455,0.0002689582,0.0004363728,0.0000821143,0.0003125571,0.0003206484,0.0001008785],"category_scores_gemma":[0.0005532738,0.0003537807,0.0001382563,0.0004784592,0.0009428948,0.0002633859,0.0003048344,0.0004038851,0.000001004784],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001236801,"about_ca_system_score_gemma":0.0001165719,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006143869,"about_ca_topic_score_gemma":0.0000704311,"domain_scores_codex":[0.9980718,0.00009144646,0.0007750271,0.0004398606,0.0003112001,0.0003105994],"domain_scores_gemma":[0.9978441,0.0004140924,0.0004956987,0.0007262361,0.0003289338,0.0001909248],"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":[0.0002364172,0.0001748925,0.001034478,0.0002264246,0.0002148236,0.000001425202,0.0003342541,0.00001020433,0.9953063,0.0009777396,0.00006318287,0.001419834],"study_design_scores_gemma":[0.00136539,0.0001092275,0.000389084,0.0002922401,0.0001991484,0.0001668725,0.0004367794,0.0007488138,0.9942124,0.000394095,0.001338744,0.0003471532],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938065,0.001477307,0.0003987584,0.0003889773,0.00006657885,0.0002511317,0.00008865323,0.00008663033,0.003435483],"genre_scores_gemma":[0.995164,0.002512649,0.001719614,0.00003112245,0.00003636258,0.0001052585,0.0000323252,0.00004169256,0.0003570113],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003078472,"threshold_uncertainty_score":0.9998914,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01982234482027144,"score_gpt":0.2531842496342902,"score_spread":0.2333619048140188,"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."}}