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Stick, Slide, or Bounce: Charge Density Controls Nanoparticle Diffusion
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Centres, Wallenberg Wood Science Center. KTH, School of Engineering Sciences (SCI), Engineering Mechanics, Fluid Mechanics.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 (English)In: ACS Nano, ISSN 1936-0851, E-ISSN 1936-086X, Vol. 18, no 42, p. 28636-28648Article in journal (Refereed) 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.

Place, publisher, year, edition, pages
American Chemical Society (ACS) , 2024. Vol. 18, no 42, p. 28636-28648
Keywords [en]
controlled release, drug delivery, electrostatic interactions, molecular dynamics simulations, nanoparticle diffusion, polymer networks, surface charge effects
National Category
Paper, Pulp and Fiber Technology
Identifiers
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

Available from: 2025-07-07 Created: 2025-07-07 Last updated: 2025-07-07Bibliographically approved

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Motezakker, Ahmad RezaLundell, FredrikRosén, TomasSöderberg, Daniel

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Motezakker, Ahmad RezaLundell, FredrikRosén, TomasSöderberg, Daniel
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