Bombyx mori silk fibroin (B. mori SF) is a prospective and promising biomaterial being investigated by the scientific research fraternity around the world for its biomedical applications such as tissue engineered grafts. This consideration of silk fibroin as biomaterial is possible given its suitable mechanical and biological properties. Mechanical properties and behavior of a biopolymer or biomaterial are greatly affected by the chemical environment surrounding it. To assess the suitability of B. mori SF for application as tissue scaffold and graft, it is vitally essential to understand the influence of saline environment (such as provided by extracellular fluids in the physiological conditions and during pre and post-treatments of the fiber or scaffold) on its mechanical behavior and molecular mechanics. Current study investigates the tensile mechanical behavior of B. mori SF under varying saline environments (0 to 4.5 M) using molecular dynamics (MD) simulations. Elastic modulus values of 7 to 20 GPa and peak stress values of 350 to 750 MPa are computed for the two models for 0 to 4.5 M saline environments. Examining the obtained results show that peptide salt interactions are primarily contributing to the enhanced mechanical response of B. mori SF nanostructure. In addition, formation of ionic bridges between the salt ions present in saline environment and peptide strands, facilitating the enhanced mechanical response, are also observed. Ultimately, it is envisioned that the molecular deformation mechanisms and mechanistic understanding extracted from current study can be informative towards future investigation of silk-based biomaterials.

家蚕丝素蛋白 ( B. mori SF) 是一种有前景且有前途的生物材料，世界各地的科学研究兄弟会正在研究其生物医学应用，例如组织工程移植。鉴于其合适的机械和生物特性，将丝素蛋白视为生物材料是可能的。生物聚合物或生物材料的机械性能和行为受其周围化学环境的影响很大。评估家蚕的适用性SF 作为组织支架和移植物的应用，了解盐水环境（例如生理条件下的细胞外液以及纤维或支架的预处理和后处理期间提供）对其机械行为和分子的影响至关重要力学。当前的研究使用分子动力学 (MD) 模拟研究了B. mori SF 在不同盐度环境（0 到 4.5 M）下的拉伸力学行为。对于 0 到 4.5 M 盐度环境的两个模型，计算了 7 到 20 GPa 的弹性模量值和 350 到 750 MPa 的峰值应力值。检查获得的结果表明，肽盐相互作用主要有助于增强B. mori 的机械响应SF纳米结构。此外，还观察到盐水环境中存在的盐离子与肽链之间形成离子桥，促进增强的机械响应。最终，预计从当前研究中提取的分子变形机制和机械理解可以为未来对丝基生物材料的研究提供信息。