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纳米颗粒-蛋白冠复合物形成的动力学:群体平衡方程的分析结果。

Dynamics of nanoparticle-protein corona complex formation: analytical results from population balance equations.

机构信息

Institute of Computational Comparative Medicine (ICCM), Kansas State University, Manhattan, Kansas, United States of America.

出版信息

PLoS One. 2013 May 31;8(5):e64690. doi: 10.1371/journal.pone.0064690. Print 2013.

Abstract

BACKGROUND

Nanoparticle-protein corona complex formation involves absorption of protein molecules onto nanoparticle surfaces in a physiological environment. Understanding the corona formation process is crucial in predicting nanoparticle behavior in biological systems, including applications of nanotoxicology and development of nano drug delivery platforms.

METHOD

This paper extends the modeling work in to derive a mathematical model describing the dynamics of nanoparticle corona complex formation from population balance equations. We apply nonlinear dynamics techniques to derive analytical results for the composition of nanoparticle-protein corona complex, and validate our results through numerical simulations.

RESULTS

The model presented in this paper exhibits two phases of corona complex dynamics. In the first phase, proteins rapidly bind to the free surface of nanoparticles, leading to a metastable composition. During the second phase, continuous association and dissociation of protein molecules with nanoparticles slowly changes the composition of the corona complex. Given sufficient time, composition of the corona complex reaches an equilibrium state of stable composition. We find analytical approximate formulae for metastable and stable compositions of corona complex. Our formulae are very well-structured to clearly identify important parameters determining corona composition.

CONCLUSION

The dynamics of biocorona formation constitute vital aspect of interactions between nanoparticles and living organisms. Our results further understanding of these dynamics through quantitation of experimental conditions, modeling results for in vitro systems to better predict behavior for in vivo systems. One potential application would involve a single cell culture medium related to a complex protein medium, such as blood or tissue fluid.

摘要

背景

纳米粒子-蛋白质冠复合物的形成涉及在生理环境中蛋白质分子吸附到纳米粒子表面。了解冠形成过程对于预测纳米粒子在生物系统中的行为至关重要,包括纳米毒理学应用和纳米药物输送平台的开发。

方法

本文扩展了建模工作,从群体平衡方程推导出描述纳米粒子冠复合物形成动力学的数学模型。我们应用非线性动力学技术推导出纳米粒子-蛋白质冠复合物组成的解析结果,并通过数值模拟验证我们的结果。

结果

本文提出的模型表现出冠复合物动力学的两个阶段。在第一阶段,蛋白质迅速结合到纳米粒子的自由表面,导致亚稳组成。在第二阶段,蛋白质分子与纳米粒子的连续缔合和离解缓慢改变冠复合物的组成。在足够的时间后,冠复合物的组成达到稳定组成的平衡状态。我们找到了冠复合物亚稳和稳定组成的解析近似公式。我们的公式结构非常清晰,能够明确识别决定冠组成的重要参数。

结论

生物冠形成的动力学是纳米粒子与生物体相互作用的重要方面。我们的结果通过量化实验条件,对体外系统的建模结果进行研究,以更好地预测体内系统的行为,进一步加深了对这些动力学的理解。一个潜在的应用是涉及单个细胞培养基的相关复杂蛋白质培养基,如血液或组织液。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc10/3669406/6aeed2b30f6a/pone.0064690.g001.jpg

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