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Issue 32, 2015
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Coarse-grained modeling of vesicle responses to active rotational nanoparticles

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Abstract

In recent years, magnetically-driven-rotating superparamagnetic nanoparticles have been emerging as a valuable component in designing targeted drug delivery carriers and cellular killers via membranes’ physical rupture. The lack of an in-depth understanding of how to control the interaction of rotational nanoparticles (RNPs) with vesicles has hindered progress in the development of their relevant biomedical applications. Here we perform dissipative particle dynamics simulations to analyze the rotation frequencies, size, and coating patterns of the RNPs as they interact with the vesicle so as to provide novel designs of drug delivery applications. Results have revealed that the RNPs are capable of triggering local disturbance around the vesicle and therefore promoting the vesicle translocation toward the RNPs. By investigating the translocation time and driving forces required for RNPs to enter inside the vesicle at various rotation frequencies as well as the interaction energy between coated RNPs and the vesicle, we have tuned the coating pattern of the ligands on the surface of RNPs to open a specified channel in the vesicle for promoting drug delivery. Our findings can provide useful guidelines for the molecular design of patterned RNPs for controllable bio/inorganic interfaces and help establish qualitative rules for the organization and optimization of ligands on the surface of the desired drug delivery carriers.

Graphical abstract: Coarse-grained modeling of vesicle responses to active rotational nanoparticles

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Publication details

The article was received on 13 Mar 2015, accepted on 18 Jun 2015 and first published on 19 Jun 2015


Article type: Paper
DOI: 10.1039/C5NR01652E
Author version available: Download Author version (PDF)
Citation: Nanoscale, 2015,7, 13458-13467
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    Coarse-grained modeling of vesicle responses to active rotational nanoparticles

    L. Zhang and X. Wang, Nanoscale, 2015, 7, 13458
    DOI: 10.1039/C5NR01652E

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