Unidad Profesional Interdisciplinaria de Ingeniería Campus Guanajuato, Instituto Politécnico Nacional, Av. Mineral de Valenciana No. 200, Col. Fraccionamiento Industrial Puerto Interior, Silao de la Victoria, 36275, Guanajuato, Mexico.
Centro de Investigaciones Químicas, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Avenida Universidad 1001, Chamilpa, Cuernavaca, 22222, Morelos, Mexico.
J Mol Graph Model. 2024 Jan;126:108674. doi: 10.1016/j.jmgm.2023.108674. Epub 2023 Nov 16.
Petroleum-based plastics dominate everyday life, necessitating the exploration of natural polymers as alternatives. Starch, abundant and biodegradable, is a promising raw material. However, understanding the molecular mechanisms underlying starch plasticization has proven challenging. To address this, we employ molecular dynamics simulations, focusing on amylose as a model. Our comprehensive evaluation revealed that chain size affects solubility, temperature influenced diffusivity and elastic properties, and oleic acid expressed potential as an alternative plasticizer. Furthermore, blending glycerol or oleic acid with water suggested the enhancement amylose's elasticity. These findings contribute to the design of sustainable and improved biodegradable plastics.
石油基塑料在日常生活中占据主导地位，因此需要探索天然聚合物作为替代品。淀粉作为一种丰富且可生物降解的物质，是一种很有前途的原料。然而，理解淀粉塑料化的分子机制具有一定的挑战性。为了解决这个问题，我们采用了分子动力学模拟，以直链淀粉作为模型进行研究。我们的全面评估表明，链长会影响溶解度，温度会影响扩散率和弹性性能，而油酸则表现出作为替代增塑剂的潜力。此外，甘油或油酸与水混合可以提高直链淀粉的弹性。这些发现有助于设计可持续和改良的可生物降解塑料。
