{"id":"W2978975728","doi":"10.1071/en19198","title":"Metal ion binding by humic substances as emergent functions of labile supramolecular assemblies","year":2019,"lang":"en","type":"article","venue":"Environmental Chemistry","topic":"Marine and coastal ecosystems","field":"Earth and Planetary Sciences","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Chemistry; Metal; Supramolecular chemistry; Aqueous solution; Metal ions in aqueous solution; Ligand (biochemistry); Intermolecular force; Dissolution; Organic matter; Computational chemistry; Molecule; Humic acid; Molecular dynamics; Hydrogen bond; Coordination sphere; Environmental chemistry; 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":[0.0001683499,0.000291479,0.0003335636,0.0002164111,0.0003387486,0.0006318785,0.0003398329,0.00034313,0.001355915],"category_scores_gemma":[0.0003189368,0.0001907462,0.0004004308,0.0001488359,0.000511169,0.0005202437,0.0005051464,0.0002240841,0.0001480386],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002631671,"about_ca_system_score_gemma":0.0002536734,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001025339,"about_ca_topic_score_gemma":0.0008720551,"domain_scores_codex":[0.9999262,0.00002187165,0.000003576671,0.00001197658,0.00001482031,0.00002158017],"domain_scores_gemma":[0.9999061,0.00003284791,0.00002004069,0.0000139077,0.00001112334,0.00001609197],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002904212,0.0001832254,0.0101508,0.0004787606,0.0002042443,0.0006782422,0.0004657107,0.7212988,0.2407852,0.01644213,0.0004782343,0.008544315],"study_design_scores_gemma":[0.00004539541,0.0002218384,0.004523152,0.00001650552,0.00004978479,0.0001175383,0.0002444476,0.9679508,0.01919493,0.006078106,0.001528423,0.00002905056],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9906039,0.0001647697,0.007502294,0.00003883246,0.00000533996,0.00001411793,0.00006677169,0.00005560939,0.001548358],"genre_scores_gemma":[0.9972749,0.0001259944,0.00221005,0.00001352236,0.000002726776,0.00002713366,0.00006779886,0.00001243667,0.0002654651],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001355915,"threshold_uncertainty_score":0.004535973,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003599468682109403,"score_gpt":0.1634067601726531,"score_spread":0.1598072914905437,"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."}}