Unravelling the Mechanism behind Charge Reversal at Silica Nanoparticle-Model Cell Membrane Interfaces

Gahtori, P and Mishra, A and Varanasi, SR and Pandey, R (2023) Unravelling the Mechanism behind Charge Reversal at Silica Nanoparticle-Model Cell Membrane Interfaces. In: Journal of Physical Chemistry B .

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Abstract

Vibrational sum frequency generation spectroscopy is used to understand the interactions of silica nanoparticles (SNPs) with a model cationic membrane (1,2-dipalmitoyl-3-(trimethylammonium)propane, DPTAP) by monitoring changes in the interfacial water and lipid structure at pH ∼ 2 and pH ∼ 11. Our study reveals that, at pH ∼ 11, SNPs are attracted to DPTAP due to electrostatic forces, causing changes in the interfacial water structure and lipid membrane. At high concentrations of SNPs (≥70 pM), the interfacial charge reversed from positive to negative, inducing the formation of new hydrogen-bonded structures and reorganization of water molecules. Conversely, negligible changes are observed at pH ∼ 2 due to nearly neutral charge of the SNPs. Molecular dynamics simulations demonstrated that the interfacial potential due to model membrane and SNPs dictates the water structure at the interface. These results elucidate the fundamental mechanism governing interfacial interactions and could have implications in drug delivery, gene therapy, and biosensing. © 2023 American Chemical Society.

Item Type:	Journal Article
Publication:	Journal of Physical Chemistry B
Publisher:	American Chemical Society
Additional Information:	The copyright for this article belongs to American Chemical Society
Keywords:	Cytology; Drug delivery; Gene therapy; Hydrogen bonds; Molecular dynamics; Molecules, Cationic membranes; Charge reversal; Interfacial water structure; Lipid membranes; Lipid structures; Membrane interface; Monitoring change; Silica nanoparticles; Sum-frequency-generation spectroscopy; Vibrational sum-frequency generations, Silica nanoparticles
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	14 Jun 2023 12:54
Last Modified:	14 Jun 2023 12:54
URI:	https://eprints.iisc.ac.in/id/eprint/81912

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