{"id":"W2325669714","doi":"10.1021/ac202103p","title":"How Are Completely Desolvated Ions Produced in Electrospray Ionization: Insights from Molecular Dynamics Simulations","year":2011,"lang":"en","type":"letter","venue":"Analytical Chemistry","topic":"Mass Spectrometry Techniques and Applications","field":"Chemistry","cited_by":64,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Chemistry; Electrospray ionization; Molecular dynamics; Ionization; Molecule; Ion; Electrospray; Cluster (spacecraft); Solvent; Chemical physics; Gas phase; Mass spectrometry; Electric field; Computational chemistry; Physical chemistry; Chromatography; 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":["metaepi_narrow","research_integrity","insufficient_payload"],"consensus_categories":["research_integrity"],"category_scores_codex":[0.00003298672,0.0006468242,0.0007547714,0.0001320806,0.000149805,0.0002080879,0.0008107835,0.001638835,0.003660835],"category_scores_gemma":[0.0002353519,0.0006955294,0.0002631353,0.0009722654,0.0001739443,0.00009411467,0.000160284,0.002784366,0.00001836351],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007806494,"about_ca_system_score_gemma":0.0002006171,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001085452,"about_ca_topic_score_gemma":0.00003996323,"domain_scores_codex":[0.9969975,0.00002819769,0.0006394873,0.001204155,0.0005019258,0.0006287395],"domain_scores_gemma":[0.9974682,0.0001803559,0.0004202478,0.001483222,0.0002873727,0.0001605581],"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":[0.00007325857,0.001742033,0.01121636,0.002121084,0.001508877,0.002097319,0.0001470465,0.0002568234,0.641005,0.01200849,0.3275378,0.0002859457],"study_design_scores_gemma":[0.0009635371,0.00002836376,0.0002116042,0.0005633238,0.0007590337,0.00003199909,0.00006417929,0.06503671,0.64376,0.03542275,0.2503675,0.002790975],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"commentary","genre_gemma":"empirical","genre_scores_codex":[0.1577642,0.001025444,0.01789466,0.6775882,0.0001219298,0.001429615,0.004912975,0.002506365,0.1367567],"genre_scores_gemma":[0.9565386,0.00002668122,0.001234367,0.01470254,0.001065385,0.0001517574,0.0193808,0.0001704469,0.00672946],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.7987744,"threshold_uncertainty_score":0.9996573,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01816780357388811,"score_gpt":0.2375939810644138,"score_spread":0.2194261774905256,"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."}}