Insights into Nanomechanical Behavior and Molecular Mechanisms in Bombyx Mori Silk Fibroin in Saline Environment Using Molecular Dynamics Analysis

Patel, Mrinal; Dubey, Devendra K.; Singh, Shveta

doi:10.1007/s13233-021-9084-6

Cited by 3 publications

(2 citation statements)

References 83 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Considering the unique mechanical properties of the SNF-reinforced biocomposites, it is worth noting that these MD simulations of silk fibroin have been conducted using a variety of methods and techniques, each with its own strengths and limitations. One approach commonly used in MD simulations of silk fibroin is the use of force fields [ 11 ], which are mathematical models that describe the interactions between atoms and molecules in the protein. These force fields can be parameterized to reproduce experimental data on the properties of silk fibroin, such as its elastic modulus, tensile strength, and fracture behavior.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Controllable Production of Natural Silk Nanofibrils for Reinforcing Silk-Based Orthopedic Screws

Yan

Hai

et al. 2023

Polymers

View full text Add to dashboard Cite

As a natural high-performance material with a unique hierarchical structure, silk is endowed with superior mechanical properties. However, the current approaches towards producing regenerated silk fibroin (SF) for the preparation of biomedical devices fail to fully exploit the mechanical potential of native silk materials. In this study, using a top-down approach, we exfoliated natural silk fibers into silk nanofibrils (SNFs), through the disintegration of interfibrillar binding forces. The as-prepared SNFs were employed to reinforce the regenerated SF solution to fabricate orthopedic screws with outstanding mechanical properties (compression modulus > 1.1 GPa in a hydrated state). Remarkably, these screws exhibited tunable biodegradation and high cytocompatibility. After 28 days of degradation in protease XIV solution, the weight loss of the screw was ~20% of the original weight. The screws offered a favorable microenvironment to human bone marrow mesenchymal stem cell growth and spread as determined by live/dead staining, F-action staining, and Alamar blue staining. The synergy between native structural components (SNFs) and regenerated SF solutions to form bionanocomposites provides a promising design strategy for the fabrication of biomedical devices with improved performance.

show abstract

Section: Resultsmentioning

confidence: 99%

“…Molecular dynamics (MD) simulations have become an increasingly popular tool for investigating the mechanical properties of biomolecules, including silk fibroin [ 11 ]. Silk fibroin is a fibrous protein that is the major structural component of silk, which is produced by various species of spiders and insects.…”

Section: Introductionmentioning

confidence: 99%