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Stick, Slide, or Bounce: Charge Density Controls Nanoparticle Diffusion
KTH, Skolan för kemi, bioteknologi och hälsa (CBH), Centra, Wallenberg Wood Science Center. KTH, Skolan för teknikvetenskap (SCI), Teknisk mekanik, Strömningsmekanik.ORCID-id: 0000-0002-6302-0004
Laboratory for Cellulose and Wood Materials, Swiss Federal Laboratories for Materials Science and Technology (Empa), Dübendorf 8600, Switzerland.
Laboratory for Cellulose and Wood Materials, Swiss Federal Laboratories for Materials Science and Technology (Empa), Dübendorf 8600, Switzerland.
Laboratory for Cellulose and Wood Materials, Swiss Federal Laboratories for Materials Science and Technology (Empa), Dübendorf 8600, Switzerland.
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2024 (engelsk)Inngår i: ACS Nano, ISSN 1936-0851, E-ISSN 1936-086X, Vol. 18, nr 42, s. 28636-28648Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

The diffusion and interaction dynamics of charged nanoparticles (NPs) within charged polymer networks are crucial for understanding various biological and biomedical applications. Using a combination of coarse-grained molecular dynamics simulations and experimental diffusion studies, we investigate the effects of the NP size, relative surface charge density (ζ), and concentration on the NP permeation length and time. We propose a scaling law for the relative diffusion of NPs with respect to concentration and ζ, highlighting how these factors influence the NP movement within the network. The analyses reveal that concentration and ζ significantly affect NP permeation length and time, with ζ being critical, as critical as concentration. This finding is corroborated by controlled release experiments. Further, we categorize NP dynamics into sticking, sliding, and bouncing regimes, demonstrating how variations in ζ, concentration, and NP size control these behaviors. Through normalized attachment time (NAT) analyses, we elucidate the roles of electrostatic interactions, steric hindrance, and hydrodynamic forces in governing NP dynamics. These insights provide guidance for optimizing NP design in targeted drug delivery and advanced material applications, enhancing our understanding of NP behavior in complex environments.

sted, utgiver, år, opplag, sider
American Chemical Society (ACS) , 2024. Vol. 18, nr 42, s. 28636-28648
Emneord [en]
controlled release, drug delivery, electrostatic interactions, molecular dynamics simulations, nanoparticle diffusion, polymer networks, surface charge effects
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Identifikatorer
URN: urn:nbn:se:kth:diva-366361DOI: 10.1021/acsnano.4c05077ISI: 001331391300001PubMedID: 39378149Scopus ID: 2-s2.0-85205981755OAI: oai:DiVA.org:kth-366361DiVA, id: diva2:1982114
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QC 20250707

Tilgjengelig fra: 2025-07-07 Laget: 2025-07-07 Sist oppdatert: 2025-07-07bibliografisk kontrollert

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Motezakker, Ahmad RezaLundell, FredrikRosén, TomasSöderberg, Daniel

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