{"id":"W2096177583","doi":"10.1039/c2cp40273d","title":"23Na double-rotation NMR of sodium nucleotides leads to the discovery of a new dCMP hendecahydrate","year":2012,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Advanced NMR Techniques and Applications","field":"Chemistry","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Homonuclear molecule; Chemistry; Crystallography; Sodium; Ion; Magic angle spinning; Carbon-13 NMR satellite; Deuterium; NMR spectra database; Solid-state nuclear magnetic resonance; Nucleotide; Spectral line; Nuclear magnetic resonance spectroscopy; Molecule; Nuclear magnetic resonance; Fluorine-19 NMR; Stereochemistry; Atomic physics; Physics","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":[0.00004952709,0.0002883718,0.0004038776,0.000006819683,0.00005405485,0.00001966887,0.000516801,0.0001023401,0.00004032591],"category_scores_gemma":[0.0000388199,0.0002343574,0.0002709449,0.0003270567,0.0002032879,0.0002807259,0.0002098691,0.0003361491,0.00001776558],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007080452,"about_ca_system_score_gemma":0.00005246959,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002486585,"about_ca_topic_score_gemma":1.60236e-7,"domain_scores_codex":[0.9985046,0.000004926612,0.0003890744,0.0003262677,0.0003641719,0.0004110015],"domain_scores_gemma":[0.9985431,0.0001328204,0.0002839122,0.0007251122,0.0001029274,0.0002120915],"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":[0.00009245645,0.0005489245,0.0001088931,0.0002345586,0.00002865912,1.009541e-7,0.0003403116,0.0001982725,0.9926962,0.003398658,0.000839784,0.001513131],"study_design_scores_gemma":[0.0003675438,0.000008190022,0.00001329494,0.00006042497,0.00006174179,0.000001158383,0.00007306009,0.0003496838,0.9898806,0.007691871,0.001238324,0.000254126],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9851652,0.00004572333,0.005520218,0.0002989631,0.000008895469,0.0001521193,0.00008039713,0.0001006143,0.008627919],"genre_scores_gemma":[0.9965195,0.000006814274,0.001255547,0.00005426598,0.001357415,0.00008223912,0.00009525163,0.00004710912,0.0005818764],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01135433,"threshold_uncertainty_score":0.9556817,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02320270959885124,"score_gpt":0.2933735832586438,"score_spread":0.2701708736597925,"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."}}