FisMat2017 - Submission - View

Abstract's title: Simulation of lipid membrane damage by nanoparticle-induced localized heating
Submitting author: Andrea Torchi
Affiliation: University of Genoa, Dipartimento di Fisica
Affiliation Address: Via Dodecaneso 33 16146, Genova Italia
Country: Italy
Oral presentation/Poster (Author's request): Oral presentation
Other authors and affiliations: Giulia Rossi Riccardo Ferrando
Abstract

Photoporation [1] is a physical approach to permeate cell membranes. Plasmonic nanoparticles (NPs) are attached to the membrane, which is then irradiated by nanosecond laser pulses. Au NPs, which have strong surface plasmon resonance and can efficiently convert light into heat, lead to pore formation in the membrane by localized hyperthermia. Pores then allow for the delivery of, e.g., genetic material to the cell interior, or for the release of the drug content out of a delivery-liposome. Here, we aim at modeling, via atomistic Molecular Dynamics simulations, the membrane heating and damaging induced by the selective irradiation of a ligand-protected Au NP [2] [3], stably bound to the membrane. We develop a protocol for the simulation of the NP mediated heating in presence of a constant energy flux provided by the laser source, by using reference experimental parameters. We then look at the structural membrane deformation associated to the heating process. We also focus on water permeation, and show that it is enhanced by irradiation: we observe a non linear dependence between water permeation events and temperature, and show that water permeability is increased at the interface with the nanoparticle.

[1] Xiong, R., Raemdonck, K., Peynshaert, K., Lentacker, I., De Cock, I., Demeester, J., ... & Braeckmans, K. (2014). Comparison of gold nanoparticle mediated photoporation: vapor nanobubbles outperform direct heating for delivering macromolecules in live cells. ACS nano, 8(6), 6288-6296.

[2] Simonelli, F., Bochicchio, D., Ferrando, R., & Rossi, G. (2015). Monolayer-protected anionic Au nanoparticles walk into lipid membranes step by step. The Journal of Physical Chemistry Letters, 6(16), 3175-3179.

[3] Salassi, S., Simonelli, F., Bochicchio, D., Ferrando, R., & Rossi, G. (2017). Au Nanoparticles in Lipid Bilayers: a Comparison between Atomistic and Coarse Grained Models. The Journal of Physical Chemistry C, 121 (20), 10927–10935.