{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004523937,0.0003374204,0.0004909552,0.0002554759,0.0008276646,0.001165025,0.0009084685,0.001369279,0.002460805],"category_scores_gemma":[0.001802712,0.0002921088,0.0002640336,0.0002995832,0.001158314,0.001860027,0.0005029735,0.0006591725,0.0004472187],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001445068,"about_ca_system_score_gemma":0.0006896197,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005087021,"about_ca_topic_score_gemma":0.003059305,"domain_scores_codex":[0.9998351,0.0000287838,0.000005796916,0.00002621974,0.00006512811,0.00003889507],"domain_scores_gemma":[0.9995597,0.0001846473,0.00006873181,0.00004848938,0.00005853835,0.00007992503],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006135612,0.0001365056,0.004732237,0.0001553447,0.00006822673,0.001433172,0.0008705738,0.7608173,0.05832616,0.1576193,0.004787366,0.01044018],"study_design_scores_gemma":[0.00009713659,0.00004982759,0.0007066659,0.0000168315,0.00001048531,0.00009082683,0.0001172097,0.9639944,0.006472068,0.02590738,0.002504298,0.00003290474],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9229516,0.001060657,0.03803289,0.003868369,0.0002022333,0.00009032443,0.000421804,0.0002990685,0.03307296],"genre_scores_gemma":[0.9925151,0.0005559448,0.004252162,0.0003632343,0.00002042967,0.00005397744,0.0001407955,0.00009063396,0.002007558],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005087021,"threshold_uncertainty_score":0.01048476,"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."}}