{"total":1,"items":[{"citing_arxiv_id":"2506.18835","ref_index":5,"ref_count":1,"confidence":0.88,"is_internal_anchor":false,"paper_title":"Chelation of the mercury ions by polyethyleneimine: Atomistic molecular dynamics study","primary_cat":"cond-mat.soft","submitted_at":"2025-06-23T16:53:12+00:00","verdict":"CONDITIONAL","verdict_confidence":"MODERATE","novelty_score":4.0,"formal_verification":"none","one_line_summary":"Simulations with the OPLS/AA force field and DFT validation show that a linear PEI chain with ten amino groups forms stable complexes with up to four Hg2+ ions in water.","context_count":1,"top_context_role":"background","top_context_polarity":"unclear","context_text":"1186/s12302-020-00401-x. [4] N. Singh, G. Nagpal, S. Agrawal, Rachna, Water purification by using adsorbents: A review, Environ. Technol. Innovation 11 (2018) 187-240.doi:10.1016/j.eti.2018.05.006. [5] N. A. A. Qasem, R. H. Mohammed, D. U. Lawal, Removal of heavy metal ions from wastewater: a comprehensive and critical review, npj Clean Water 4 (1).doi:10.1038/s41545-021-00127-0. [6] A. Farrukh, A. Akram, A. Ghaffar, S. Hanif, A. Hamid, H. Duran, B. Yameen, Design of polymer-brush- grafted magnetic nanoparticles for highly efficient water remediation, ACS Appl. Mater . Interfaces 5 (9) (2013) 3784-3793.doi:10.1021/am400427n. [7] T . Moja, S. Mishra, A. Mishra, Conductive polymer-based nanocomposites for the removal of hexava-"}],"limit":50,"offset":0}