4 results match your criteria: "Shandong University Jinan Shandong 250100 China lwf@sdu.edu.cn.[Affiliation]"

Article Synopsis
  • Nanomaterials, especially carbon nanoparticles (C NPs), show potential in biomedical applications, but concerns about their toxicity remain significant.
  • This study used molecular dynamics simulations to analyze how ultra-small C NPs interact with cell membranes, revealing that they tend to form stable clusters in water and are more likely to aggregate inside the membrane.
  • The clustering of C NPs reduces the membrane's thickness and integrity, leading to increased cytotoxicity, which could inform future biomedical uses, particularly in developing antibacterial agents.
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Solid-state nanopore detection and sequencing of a single molecule offers a new paradigm because of its several well-recognized features such as long reads, high throughput, high precision and direct analyses. However, several key technical challenges are yet to be addressed, especially the abilities to control the speed and direct the translocation of the target molecules. In this work, using molecular dynamics (MD) simulations, we found a spontaneous translocation of single-stranded DNA (ssDNA) through a van der Waals (vdW) heterostructure nanopore formed by stacking two graphenic materials, namely those of BC and CN.

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Ionic liquids (ILs) are effective CO capture media and recent experimental evidence has demonstrated that the addition of two-dimensional (2D) nanomaterials into ILs can effectively improve their CO capturing capability. However, an in-depth mechanism on how 2D nanomaterials enhance CO absorption is poorly documented. In this study, the adsorption of CO by a representative IL, namely 1-ethyl-3-methyl-imidazole-tetrafluoroborate ([EMIM][BF]), coated on graphene (GRA, the prototype 2D nanomaterial) and nitrogenized graphene (CN) was investigated by molecular dynamics simulations.

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In recent years, nanomaterials have attracted considerable research attention for biological and medical related applications due to their well-recognized physical and chemical properties. However, the deep understanding of the binding process at the protein-nanomaterial interface is essential to solve the concern of nano-toxicity. Here, we study the interactions between the recently reported graphenic nano-sheets, BC and CN, and a prototypical protein (YAP65WW domain) atomistic molecular dynamics simulations.

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