{"id":"W4206721531","doi":"10.1039/d1qo01877a","title":"Sharing the salt bowl: counterion identity drives <i>N</i>-alkyl resorcinarene affinity for pyrophosphate in water","year":2022,"lang":"en","type":"article","venue":"Organic Chemistry Frontiers","topic":"Molecular Sensors and Ion Detection","field":"Chemistry","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"Oakland University; Natural Sciences and Engineering Research Council of Canada; Windsor Cancer Centre Foundation; Compute Canada; University of Windsor","keywords":"Chemistry; Resorcinarene; Pyrophosphate; Counterion; Alkyl; Salt (chemistry); Ammonium; Trifluoromethanesulfonate; Aqueous solution; Receptor; Medicinal chemistry; Polymer chemistry; Stereochemistry; Inorganic chemistry; Organic chemistry; Ion; Catalysis; Biochemistry; Molecule","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":[0.0002099089,0.0003262485,0.0003057941,0.00009172558,0.0001960596,0.0005556515,0.0005837309,0.000345127,0.003141372],"category_scores_gemma":[0.0006514188,0.0002311011,0.000138162,0.0001289888,0.0003917543,0.0006002063,0.0005628126,0.0004018569,0.001090731],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002595103,"about_ca_system_score_gemma":0.0002397874,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005420255,"about_ca_topic_score_gemma":0.0009668054,"domain_scores_codex":[0.9997695,0.00002600261,0.00001423386,0.00007797804,0.00005637809,0.00005599187],"domain_scores_gemma":[0.9997796,0.00005795945,0.00006009278,0.00002945542,0.00003877892,0.0000341917],"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":[0.00006073838,0.000009827042,0.00007509794,0.00004891985,0.000002886647,0.00002229544,0.0000205111,0.000106322,0.9974323,0.0004412574,0.00008816816,0.001691711],"study_design_scores_gemma":[0.0000127412,0.0001104597,0.0003050699,0.00000471237,0.000008727309,0.00003671883,0.00002762349,0.001522951,0.9961587,0.0000995959,0.001703339,0.000009536822],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9892749,0.0003743706,0.004671125,0.0001746742,0.00007967884,0.00003144498,0.00008781363,0.0002323986,0.005073554],"genre_scores_gemma":[0.9936793,0.0004519201,0.003174672,0.0001300471,0.00002640844,0.00003256469,0.00008883156,0.00007159769,0.002344707],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003141372,"threshold_uncertainty_score":0.01050895,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006543118073092258,"score_gpt":0.2052758915902381,"score_spread":0.1987327735171459,"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."}}