Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

Sridhar, D. B.; Gupta, Rakesh; Rai, Beena

doi:10.1039/c8cp04044c

Cited by 33 publications

(33 citation statements)

References 57 publications

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“…In this context, computer simulations have emerged as a promising approach to evaluate the interactions between NPs as well as the underlying molecular details [24][25][26][27][28][29] . For example, Monte Carlo simulations demonstrated that ligand-mediated short-range attractive interactions between monolayer-protected AuNPs can lead to aggregation despite long-range electrostatic energy barriers 29 .…”

Section: Introductionmentioning

confidence: 99%

Ion-mediated charge-charge interactions drive aggregation of surface-functionalized gold nanoparticles

Petretto

Ong

Olgiati

et al. 2021

Preprint

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Monolayer-protected metal nanoparticles (NPs) are not only promising materials with a wide range of potential industrial and biological applications, but they are also a powerful tool to investigate the behavior of matter at nanoscopic scales, including the stability of dispersions and colloidal systems. This stability is dependent on a delicate balance between electrostatic and steric interactions that occur in the solution, and it is described in quantitative terms by the classic Derjaguin-Landau-Vewey-Overbeek (DLVO) theory, that posits that aggregation between NPs is driven by hydrophobic interactions and opposed by electrostatic interactions. To investigate the limits of this theory at the nanoscale, where the continuum assumptions required by the DLVO theory break down, here we investigate NP dimerization by computing the Potential of Mean Force (PMF) of this process using fully atomistic MD simulations. Serendipitously, we find that electrostatic interactions can lead to the formation of metastable NP dimers. These dimers are stabilized by complexes formed by negatively charged ligands belonging to distinct NPs that are bridged by positively charged ions present in solution. We validate our findings by collecting tomographic EM images of NPs in solution and by quantifying their radial distribution function, that shows a marked peak at interparticle distance comparable with that of MD simulations. Taken together, our results suggest that not only hydrophobic interactions, but also electrostatic interactions, contribute to attraction between nano-sized charged objects at very short length scales.

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Section: Introductionmentioning

confidence: 99%

Ion-mediated charge-charge interactions drive aggregation of surface-functionalized gold nanoparticles

Petretto

Ong

Olgiati

et al. 2021

Preprint

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“…Metallic nanoparticles are commonly used for catalysis, optics, and medicine therapeutics [90,91]. The microscopic origin of the growth mechanism, self-assembly, and thermal stability in metallic nanoparticles is demonstrated using nanoengineering approach for the tailored design [92,93]. The deformation mechanisms and the possible formation of a dislocation network in MgO nanotube are interpreted by MD simulations [94].…”

Section: Nanocompositesmentioning

confidence: 99%

Nanoengineering in biomedicine: Current development and future perspectives

Jian

Hui

Lau

2020

Nanotechnology Reviews

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Recent advances in biomedicine largely rely on the development in nanoengineering. As the access to unique properties in biomaterials is not readily available from traditional techniques, the nanoengineering becomes an effective approach for research and development, by which the performance as well as the functionalities of biomaterials has been greatly improved and enriched. This review focuses on the main materials used in biomedicine, including metallic materials, polymers, and nanocomposites, as well as the major applications of nanoengineering in developing biomedical treatments and techniques. Research that provides an in-depth understanding of material properties and efficient enhancement of material performance using molecular dynamics simulations from the nanoengineering perspective are discussed. The advanced techniques which facilitate nanoengineering in biomedical applications are also presented to inspire further improvement in the future. Furthermore, the potential challenges of nanoengineering in biomedicine are evaluated by summarizing concerned issues and possible solutions.

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“…Gypsum micro-particles showed a negative Z potential -10.42±0.98 and -11.1±0.45, whereas GB particles altered the surface charge towards neutral -1.33±2.65 and -1.75±2.41 in 10% FBS and water suspension, respectively. However, near to neutral zeta potential of particles tend to aggregate faster due to the less physical stability of the colloidal systems [35].…”

Section: Godanti Bhasma; Anhydrous Phase Of Gypsummentioning

confidence: 99%

Godanti Bhasma (anhydrous CaSO₄) induces massive cytoplasmic vacuolation and cell survival response through stimulation of LC3 Associated Phagocytosis (LAP)

Joshi

Bisht

et al. 2020

Preprint

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1Cellular internalization and intracellular trafficking of particles depend on their specific 2 2 3 1 the sign of cell death whereas, in our study, massive vacuolation by GB did not induce any cell 3 2 death. Moreover, GB treated cells survive with complete vacuolar process, which was reversed 3 3 following post-treatment with vacuole inhibitors in GB treated cells, suggesting normal vacuolar 3 4 function is essential for cell survival. In immunoblotting, upregulation of LC3-II was found in 3 5 GB treated cells. Treatment of the cells with GB was also found to induce translocation of the 3 6 LC3 protein from the nucleus to vacuolar membrane by immune-cytochemistry, indicating LC3 3 7 associated phagocytosis (LAP) like function. This was found to be reversed in the cells treated 3 8 with vacuole inhibitors. The vacuolar function essential for cell survival, preserves mechanistic 3 9correlation with LC3 lipidation on vacuolar membrane, intracellular controlled and slow 4 0 degradation of GB particle and further vacuolar turnover limiting swelling pressure in cells. 4 1 4 2

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Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

Abstract: The PMF between two nanoparticles (of any chemistry and coverage) can be used as a measure to predict their stability.

Cited by 33 publications

References 57 publications

Ion-mediated charge-charge interactions drive aggregation of surface-functionalized gold nanoparticles

Ion-mediated charge-charge interactions drive aggregation of surface-functionalized gold nanoparticles

Nanoengineering in biomedicine: Current development and future perspectives

Godanti Bhasma (anhydrous CaSO₄) induces massive cytoplasmic vacuolation and cell survival response through stimulation of LC3 Associated Phagocytosis (LAP)

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Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

Abstract: The PMF between two nanoparticles (of any chemistry and coverage) can be used as a measure to predict their stability.

Cited by 33 publications

References 57 publications

Ion-mediated charge-charge interactions drive aggregation of surface-functionalized gold nanoparticles

Ion-mediated charge-charge interactions drive aggregation of surface-functionalized gold nanoparticles

Nanoengineering in biomedicine: Current development and future perspectives

Godanti Bhasma (anhydrous CaSO4) induces massive cytoplasmic vacuolation and cell survival response through stimulation of LC3 Associated Phagocytosis (LAP)

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Product

Resources

About

Godanti Bhasma (anhydrous CaSO₄) induces massive cytoplasmic vacuolation and cell survival response through stimulation of LC3 Associated Phagocytosis (LAP)