Centro de Nanotecnologı́a Aplicada, Facultad de Ciencias, Universidad Mayor, Santiago 8580745, Chile.
Núcleo de Quı́mica y Bioquímica, Facultad de Estudios Interdisciplinarios, Universidad Mayor, Santiago 8580745, Chile.
J Chem Inf Model. 2020 Jun 22;60(6):2966-2976. doi: 10.1021/acs.jcim.0c00052. Epub 2020 May 26.
The behavior of small and intermediate generations of poly(amidoamine) (PAMAM) dendrimers and PAMAM|gold nanocomposites was studied by computational tools and experimental techniques. Molecular dynamics simulations were used to characterize at the atomic level the stabilization mechanism of gold nanoparticles by dendrimeric platforms. Low PAMAM generations create a stabilization sphere around the nanoparticle, while upper PAMAM sizes provide stabilization sites through the internal voids. These results can help in the understanding of the stabilization process of metallic nanoparticles for the design and contribution of new nanotechnological applications.
采用计算工具和实验技术研究了多（酰胺-胺）（PAMAM）树枝状大分子及其与金纳米复合物中小尺寸和中等尺寸一代的行为。分子动力学模拟用于在原子水平上描述树枝状大分子平台稳定金纳米颗粒的机制。低代 PAMAM 产生一个稳定的纳米颗粒的球体，而上代 PAMAM 则通过内部空隙提供稳定的位置。这些结果有助于理解金属纳米颗粒的稳定过程，从而设计和贡献新的纳米技术应用。
