Zhou Yihua, Sohrabi Salman, Tan Jifu, Liu Yaling
J Nanosci Nanotechnol. 2016 Jun;16(6):5447-56. doi: 10.1166/jnn.2016.12068.
Recently, DNA-nanoparticle conjugates have been widely used as building blocks for assembling complex nanostructures, due to their programmable recognitions, high cellular uptake and enhanced binding capabilities. In this study, a nanoworm structure, which can be applied in fields of drug targeting, image probing and thermal therapies, has been assembled by DNA-nanoparticle conjugates. Subsequently, its mechanical properties have been investigated due to their importance on the structural stability, transport and circulations of the nanoworm. Stiffness and strengths of the nanoworm under different deformation types are studied by coarse-grained molecular dynamics simulations. Effects of temperature, DNA coating density and particle size on mechanical properties of nanoworms are also thoroughly investigated. Results show that both resistance and strength of the nanoworm are the weakest along the axial direction, indicating it is more prone to be ruptured by a stretching force. i addition, DNA strands are found to be more important than nanoparticles in determining mechanical properties of the nanoworm. Moreover, both strength and resistance in regardless of directions are proved to be enhanced by decreasing the temperature, raising the DNA coating density and enlarging the particle size. This study is capable of serving as guidance for designing nanoworms with optimal mechanical strengths for applications.
近年来,DNA-纳米颗粒共轭物因其可编程识别、高细胞摄取率和增强的结合能力,已被广泛用作组装复杂纳米结构的构建模块。在本研究中,一种可应用于药物靶向、图像探测和热疗法领域的纳米蠕虫结构已通过DNA-纳米颗粒共轭物组装而成。随后,因其对纳米蠕虫的结构稳定性、运输和循环的重要性,对其力学性能进行了研究。通过粗粒度分子动力学模拟研究了纳米蠕虫在不同变形类型下的刚度和强度。还深入研究了温度、DNA涂层密度和颗粒大小对纳米蠕虫力学性能的影响。结果表明,纳米蠕虫的阻力和强度沿轴向方向最弱,这表明它更容易被拉伸力破坏。此外,发现在决定纳米蠕虫的力学性能方面,DNA链比纳米颗粒更重要。而且,无论方向如何,通过降低温度、提高DNA涂层密度和增大颗粒大小,强度和阻力都得到了增强。本研究能够为设计具有最佳力学强度的纳米蠕虫以供应用提供指导。