灰质中纳米粒子扩散的数值模拟研究

IF 4.4 2区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
Peiqian Chen , Bing Dong , Weiwu Yao
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引用次数: 0

摘要

目的 基于纳米药物的方法在治疗中枢神经系统疾病方面显示出巨大的潜力。然而,纳米粒子(NPs)在脑实质内的去向却未受到广泛关注。大脑微观结构的复杂性和 NPs 的不可见性使得研究 NP 在灰质内的传输变得十分困难。此外,对 NP 运送的调控也不完全清楚。方法构建了反映实际细胞外空间(ECS)的 2D 间质系统(ISS)模型。方法构建了反映实际细胞外空间(ECS)的 2D 间质系统(ISS)模型,并使用粒子追踪模型模拟 NPs 的扩散。通过数值模拟研究了 NP 大小对 NP 扩散的影响。通过比较实验数据和数值模拟数据,探讨了带电 NPs 的扩散,并进一步研究了细胞膜电位对带电 NPs 扩散的影响。小的 NPs 可以有效地扩散到 ISS 中。带电 NPs 在 ISS 中的扩散受到阻碍。细胞膜电位的变化对 NP 扩散几乎没有影响。结论本研究构建了反映实际 ECS 的二维脑 ISS 模型,并模拟了 NPs 在其中的扩散。研究发现,不带电的小型 NPs 可在 ISS 内有效扩散,细胞膜电位对带电 NPs 的扩散影响有限。该研究的模型和发现有助于设计用于诊断和治疗脑部疾病的纳米药物和纳米载体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Numerical simulation study of nanoparticle diffusion in gray matter

Numerical simulation study of nanoparticle diffusion in gray matter

Purpose

Nanomedicine-based approaches have shown great potential in the treatment of central nervous system diseases. However, the fate of nanoparticles (NPs) within the brain parenchyma has not received much attention. The complexity of the microstructure of the brain and the invisibility of NPs make it difficult to study NP transport within the grey matter. Moreover, regulation of NP delivery is not fully understood.

Methods

2D interstitial system (ISS) models reflecting actual extracellular space (ECS) were constructed. A particle tracing model was used to simulate the diffusion of the NPs. The effect of NP size on NP diffusion was studied using numerical simulations. The diffusion of charged NPs was explored by comparing experimental and numerical simulation data, and the effect of cell membrane potential on the diffusion of charged NPs was further studied.

Results

The model was verified using previously published experimental data. Small NPs could diffuse efficiently into the ISS. The diffusion of charged NPs was hindered in the ISS. Changes in cell membrane potential had little effect on NP diffusion.

Conclusion

This study constructed 2D brain ISS models that reflected the actual ECS and simulated the diffusion of NPs within it. The study found that uncharged small NPs could effectively diffuse within the ISS and that the cell membrane potential had a limited effect on the diffusion of charged NPs. The model and findings of this study can aid the design of nanomedicines and nanocarriers for the diagnosis and treatment of brain diseases.

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来源期刊
Computational and structural biotechnology journal
Computational and structural biotechnology journal Biochemistry, Genetics and Molecular Biology-Biophysics
CiteScore
9.30
自引率
3.30%
发文量
540
审稿时长
6 weeks
期刊介绍: Computational and Structural Biotechnology Journal (CSBJ) is an online gold open access journal publishing research articles and reviews after full peer review. All articles are published, without barriers to access, immediately upon acceptance. The journal places a strong emphasis on functional and mechanistic understanding of how molecular components in a biological process work together through the application of computational methods. Structural data may provide such insights, but they are not a pre-requisite for publication in the journal. Specific areas of interest include, but are not limited to: Structure and function of proteins, nucleic acids and other macromolecules Structure and function of multi-component complexes Protein folding, processing and degradation Enzymology Computational and structural studies of plant systems Microbial Informatics Genomics Proteomics Metabolomics Algorithms and Hypothesis in Bioinformatics Mathematical and Theoretical Biology Computational Chemistry and Drug Discovery Microscopy and Molecular Imaging Nanotechnology Systems and Synthetic Biology
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