{"id":"W2070400239","doi":"10.1039/c0cc02773a","title":"Direct observation of key intermediates by negative-ion electrospray ionisation mass spectrometry in palladium-catalysed cross-coupling","year":2010,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":94,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"","keywords":"Chemistry; Sonogashira coupling; Mass spectrometry; Palladium; Electrospray ionization; Electrospray; Ion-mobility spectrometry–mass spectrometry; Ligand (biochemistry); Ion; Phosphine; Combinatorial chemistry; Photochemistry; Computational chemistry; Analytical Chemistry (journal); Sample preparation in mass spectrometry; Organic chemistry; Chromatography; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005061995,0.0008457139,0.0002340408,0.0007381742,0.000256431,0.000440796,0.0007459252,0.0006617145,0.002474134],"category_scores_gemma":[0.0009819692,0.0003297183,0.0002365685,0.0004893643,0.0005213798,0.0008109682,0.0004090514,0.0009221319,0.001024476],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003130883,"about_ca_system_score_gemma":0.0004033438,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003244417,"about_ca_topic_score_gemma":0.0007426207,"domain_scores_codex":[0.9997378,0.00003487785,0.00001611764,0.00008014606,0.0000994022,0.00003171539],"domain_scores_gemma":[0.9995465,0.0001318992,0.0001279039,0.00004487529,0.00009659538,0.00005218887],"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":[0.00009185139,0.00002427109,0.0002094774,0.00007105128,0.000006502622,0.0001655584,0.00005194778,0.00008014271,0.9947876,0.0007113592,0.0002126141,0.003587617],"study_design_scores_gemma":[0.000006600176,0.0001160415,0.0004617656,0.000005060743,0.000006523282,0.0002516938,0.00001228542,0.0003068954,0.9973078,0.0002644822,0.001253154,0.000007654381],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8030602,0.003655504,0.1737614,0.0004801475,0.0002221333,0.0003064295,0.00222484,0.001221081,0.01506834],"genre_scores_gemma":[0.9257618,0.003093281,0.06299106,0.0001897873,0.00004807141,0.0002240793,0.001418304,0.000144715,0.006128848],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002474134,"threshold_uncertainty_score":0.008276761,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01988992757014947,"score_gpt":0.2985213411101101,"score_spread":0.2786314135399606,"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."}}