{"id":"W4380047101","doi":"10.1039/d3cp00781b","title":"Glycine in a basket: protonated complexes of 1,1,<i>n</i>,<i>n</i>-tetramethyl[<i>n</i>](2,11)teropyrenophane (<i>n</i> = 7, 8, 9) with glycine in the gas-phase","year":2023,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"Natural Sciences and Engineering Research Council of Canada; China Scholarship Council; Canada Foundation for Innovation","keywords":"Chemistry; Protonation; Dissociation (chemistry); Molecule; Arrhenius equation; Crystallography; Stereochemistry; Activation energy; Physical chemistry; Ion; 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":[0.0001188064,0.0003001129,0.0003303901,0.0001331747,0.0004385342,0.0007612561,0.0006243128,0.0004155732,0.003709848],"category_scores_gemma":[0.0002618943,0.0002245692,0.0001288321,0.000198564,0.0002667356,0.0006641729,0.0005839816,0.0004216776,0.0004185945],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003643616,"about_ca_system_score_gemma":0.0002497047,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001605993,"about_ca_topic_score_gemma":0.001625623,"domain_scores_codex":[0.9999036,0.0000113036,0.000005098741,0.00003221121,0.00001918474,0.00002863261],"domain_scores_gemma":[0.9999419,0.00001119207,0.00001334227,0.000005050068,0.000005897426,0.00002267529],"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":[0.002383892,0.0002711487,0.003443569,0.0005944098,0.0001695357,0.001665656,0.0005803079,0.01651635,0.953427,0.009803997,0.001800672,0.009343494],"study_design_scores_gemma":[0.001032771,0.003963682,0.008668466,0.0001095549,0.000168118,0.001346497,0.001433446,0.07255955,0.8923259,0.003518476,0.01471885,0.0001546553],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966593,0.0001427104,0.0008677708,0.00008222222,0.00002075805,0.0000195801,0.0001726134,0.00003334896,0.002001646],"genre_scores_gemma":[0.9960381,0.000237727,0.001429791,0.00004348745,0.000003741351,0.00002880986,0.0003758208,0.00002334231,0.001819031],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003709848,"threshold_uncertainty_score":0.0124107,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0114287767159992,"score_gpt":0.2668750638552492,"score_spread":0.25544628713925,"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."}}