MD simulation study of direct permeation of a nanoparticle across the cell membrane under an external electric field

Shimizu, Kenta; Nakamura, Hideya; Watano, Satoru

doi:10.1039/c6nr02051h

Cited by 48 publications

(67 citation statements)

References 45 publications

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“…These unbiased MD simulations demonstrated that when some additional settings are adopted, an NP can directly permeate across a lipid bilayer. So far, the following special settings have been found to induce the NP direct permeation: the reversible reaction between NP and ligands (Ding et al, 2012), multiple NPs , application of an external electric field (Shimizu et al, 2016). Ding et al (2012) proposed a new type of ligand-coated NP and demonstrated that their NP can directly permeate across a lipid bilayer (Fig.…”

Section: Unbiased MD Simulation Studiesmentioning

confidence: 99%

“…As reviewed in Section 3, application of external force fields can be an effective way to directly deliver NPs into a cell, although its mechanism is largely unknown. We focused on the electroporation-assisted NP delivery and investigated for the first time the NP permeation across a lipid bilayer under an external electric field by means of an unbiased MD simulation (Shimizu et al, 2016). We used an alkanethiol-coated cationic gold nanoparticle with 4 nm diameter for the simulation.…”

Section: Unbiased MD Simulation Studiesmentioning

confidence: 99%

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Direct Permeation of Nanoparticles across Cell Membrane: A Review

Nakamura¹,

Watano²

2018

KONA

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Nanoparticles have attracted much attention as a key material for new biomedical and pharmaceutical applications. For success in these applications, the nanoparticles are required to translocate across the cell membrane and to reach to inside of the cell. Among several translocation pathways of nanoparticles, the direct permeation pathway has a great advantage due to its high delivery efficacy. However, despite many research efforts, key properties and factors for driving the direct permeation of nanoparticle and its underlying mechanisms are far from being understood. In this article, experimental and computational studies regarding the direct permeation of nanoparticles across a cell membrane will be reviewed. Firstly, experimental studies on the nanoparticle-cell interactions, where spontaneous direct permeation of nanoparticles was observed, are reviewed. From the experimental studies, potential key physico-chemical properties of nanoparticles for their direct permeation are discussed. Secondly, physical methods such as electroporation and sonoporation for delivering nanoparticles into cells are reviewed. Current status of technologies for facilitating the direct permeation of nanoparticle is presented. Finally, we review molecular dynamics simulation studies and present the latest findings on the underlying molecular mechanisms of the direct permeation of nanoparticle.

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Section: Unbiased MD Simulation Studiesmentioning

confidence: 99%

Section: Unbiased MD Simulation Studiesmentioning

confidence: 99%

Direct Permeation of Nanoparticles across Cell Membrane: A Review

Nakamura¹,

Watano²

2018

KONA

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“…The resealing of plasma membrane pores after electroporation is a requisite for cell survival . Membrane resealing is closely related to plasma membrane fluidity, which plays important roles in many biological processes and signaling .…”

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confidence: 99%

Self‐Powered Intracellular Drug Delivery by a Biomechanical Energy‐Driven Triboelectric Nanogenerator

et al. 2019

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Nondestructive, high‐efficiency, and on‐demand intracellular drug/biomacromolecule delivery for therapeutic purposes remains a great challenge. Herein, a biomechanical‐energy‐powered triboelectric nanogenerator (TENG)‐driven electroporation system is developed for intracellular drug delivery with high efficiency and minimal cell damage in vitro and in vivo. In the integrated system, a self‐powered TENG as a stable voltage pulse source triggers the increase of plasma membrane potential and membrane permeability. Cooperatively, the silicon nanoneedle‐array electrode minimizes cellular damage during electroporation via enhancing the localized electrical field at the nanoneedle–cell interface and also decreases plasma membrane fluidity for the enhancement of molecular influx. The integrated system achieves efficient delivery of exogenous materials (small molecules, macromolecules, and siRNA) into different types of cells, including hard‐to‐transfect primary cells, with delivery efficiency up to 90% and cell viability over 94%. Through simple finger friction or hand slapping of the wearable TENGs, it successfully realizes a transdermal biomolecule delivery with an over threefold depth enhancement in mice. This integrated and self‐powered system for active electroporation drug delivery shows great prospect for self‐tuning drug delivery and wearable medicine.

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“…The NPs–membrane interaction behaviors a) without external force and electric field, b) with external force on NP, c) with a low electric field, d) with excessive applied membrane potential, which is equal to the membrane breakdown intensity. Reproduced with permission . Copyright 2016, Royal Society of Chemistry.…”

Section: Modeling and Simulation Of Ncs Delivery Through Biological Bmentioning

confidence: 99%

Multiscale Modeling and Simulation of Nano‐Carriers Delivery through Biological Barriers—A Review

Shi

Tian

2018

Advcd Theory and Sims

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The past several decades have witnessed the explosion of nanomedicine for cancer therapy, where notable research efforts have been made in synthesizing and delivering nano-carriers (NCs) to specific tumor sites. The effective treatment of cancer with nanomedicine poses the requirements of high solubility, prolonged circulation, low toxicity, strong targeting ability, specific distribution, and high tissue penetration capability of NCs, involving interdisciplinary research and posing challenges to the community. Along with experimental contributions for the development and application of NCs to treat cancer, multiscale modeling and simulation have also made considerable contributions to the understanding of the synthesis, translocation, and delivery of NCs and their payloads. Here, recent advances of modeling and simulation work are selected to elucidate some key concepts, methods, and applications of NCs during synthesis and drug delivery, such as assembly, translocation, targeting, cellular uptake, and penetration in tissue. The advantages and limitations of each method are highlighted, and the future perspectives in this field are also discussed.

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MD simulation study of direct permeation of a nanoparticle across the cell membrane under an external electric field

Cited by 48 publications

References 45 publications

Direct Permeation of Nanoparticles across Cell Membrane: A Review

Direct Permeation of Nanoparticles across Cell Membrane: A Review

Self‐Powered Intracellular Drug Delivery by a Biomechanical Energy‐Driven Triboelectric Nanogenerator

Multiscale Modeling and Simulation of Nano‐Carriers Delivery through Biological Barriers—A Review

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