{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,19]],"date-time":"2026-05-19T22:25:20Z","timestamp":1779229520719,"version":"3.51.4"},"reference-count":36,"publisher":"MDPI AG","issue":"1","license":[{"start":{"date-parts":[[2023,1,2]],"date-time":"2023-01-02T00:00:00Z","timestamp":1672617600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"the CINECA award under the ISCRA initiative","award":["IsB26_W2EB"],"award-info":[{"award-number":["IsB26_W2EB"]}]},{"name":"the CINECA award under the ISCRA initiative","award":["IsCa2_REZYME"],"award-info":[{"award-number":["IsCa2_REZYME"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Plastic pollution has become a global environmental threat, which leads to an increasing concern over the consequences of plastic exposition on global health. Plastic nanoparticles have been shown to influence the folding of proteins and influence the formation of aberrant amyloid proteins, therefore potentially triggering the development of systemic and local amyloidosis. This work aims to study the interaction between nanoplastics and \u03b2-amyloid fibrils to better understand the potential role of nanoplastics in the outbreak of neurodegenerative disorders. Using microsecond-long coarse-grained molecular dynamics simulations, we investigated the interactions between neutral and charged nanoparticles made of the most common plastic materials (i.e., polyethylene, polypropylene, and polystyrene) and \u03b2-amyloid fibrils. We observe that the occurrence of contacts, region of amyloid fibril involved, and specific amino acids mediating the interaction depend on the type and charge of the nanoparticles.<\/jats:p>","DOI":"10.3390\/molecules28010388","type":"journal-article","created":{"date-parts":[[2023,1,3]],"date-time":"2023-01-03T02:05:53Z","timestamp":1672711553000},"page":"388","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":13,"title":["In Silico Analysis of Nanoplastics\u2019 and \u03b2-amyloid Fibrils\u2019 Interactions"],"prefix":"10.3390","volume":"28","author":[{"given":"Silvia","family":"Gabbrielli","sequence":"first","affiliation":[{"name":"Biomolecular Engineering Lab, Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9699-5318","authenticated-orcid":false,"given":"Luca","family":"Colnaghi","sequence":"additional","affiliation":[{"name":"Division of Neuroscience, IRCCS San Raffaele Scientific Institute, Via Olgettina 60, 20132 Milano, Italy"},{"name":"School of Medicine, Vita-Salute San Raffaele University, Via Olgettina 58, 20132 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7803-3556","authenticated-orcid":false,"given":"Gemma","family":"Mazzuoli-Weber","sequence":"additional","affiliation":[{"name":"Center for Systems Neuroscience (ZSN), 30559 Hannover, Germany"},{"name":"Institute for Physiology and Cell Biology, University of Veterinary Medicine Hannover, Foundation, 30173 Hannover, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alberto Cesare Luigi","family":"Redaelli","sequence":"additional","affiliation":[{"name":"Biomolecular Engineering Lab, Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0492-0130","authenticated-orcid":false,"given":"Alfonso","family":"Gautieri","sequence":"additional","affiliation":[{"name":"Biomolecular Engineering Lab, Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2023,1,2]]},"reference":[{"key":"ref_1","first-page":"1","article-title":"The Plastic Brain: Neurotoxicity of Micro- and Nanoplastics","volume":"17","author":"Meijer","year":"2020","journal-title":"Part. 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