{"id":"W4361857416","doi":"10.1039/d2cp05810c","title":"A photoelectron spectroscopic investigation of aspirin, paracetamol and ibuprofen in the gas phase","year":2023,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"University of Jordan; Abdus Salam International Centre for Theoretical Physics; Elettra-Sincrotrone Trieste","keywords":"Ibuprofen; Aspirin; Gas phase; X-ray photoelectron spectroscopy; Chemistry; Phase (matter); Analytical Chemistry (journal); Materials science; Physical chemistry; Chromatography; Medicine; Nuclear magnetic resonance; Pharmacology; Physics; Organic chemistry","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":[0.00007873737,0.0002844048,0.0003741348,0.00001163648,0.00003807955,0.00002693953,0.0003759418,0.0001437681,0.00002638211],"category_scores_gemma":[0.00005742146,0.0002346148,0.000145416,0.0004834507,0.000282803,0.00005650947,0.0001345382,0.0005980326,0.000005803525],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005918507,"about_ca_system_score_gemma":0.00004043093,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001221011,"about_ca_topic_score_gemma":2.226066e-7,"domain_scores_codex":[0.99849,0.00001590276,0.0002807129,0.0004419712,0.0003608448,0.0004105652],"domain_scores_gemma":[0.9990974,0.000160328,0.0001352398,0.0004587944,0.000039729,0.0001085173],"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":[0.00004478057,0.0001570802,0.0001143924,0.0004044993,0.00002564234,0.000007521328,0.0003459782,0.00000814084,0.997127,0.0005869116,0.00006221397,0.001115839],"study_design_scores_gemma":[0.001010109,0.00001611181,0.00003377563,0.00006244544,0.00003645627,0.000004140855,0.00006089234,0.007602778,0.9433935,0.04749864,0.00005692389,0.000224201],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969202,0.00003680246,0.00001518288,0.0001996336,0.000007326495,0.0001038054,0.000037918,0.00006999511,0.002609079],"genre_scores_gemma":[0.999097,0.00001940769,0.00003261236,0.0000655143,0.000312852,0.00005344036,0.0003544809,0.00003384124,0.0000308306],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05373348,"threshold_uncertainty_score":0.9567315,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01095468143670678,"score_gpt":0.2644857761122879,"score_spread":0.2535310946755811,"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."}}