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Photothermal therapies are based on the optical excitation of plasmonicnanoparticles in the biological environment. The effects of the irradiation onthe biological medium depend critically on the heat transfer process at thenanoparticle interface, on the temperature reached by the tissues as well as onthe spatial extent of temperature gradients. Unfortunately, both thetemperature and its biological effects are difficult to be probedexperimentally at the molecular scale. Here, we approach this problem usingnonequilibrium molecular dynamics simulations. We focus on photoporation, aphotothermal application based on the irradiation of gold nanoparticles bysingle, short-duration laser pulses. The nanoparticles, stably bound to cellmembranes, convert the radiation into heat, inducing transient changes ofmembrane permeability. We make a quantitative prediction of the temperaturegradient around the nanoparticle upon irradiation by typical experimental laserfluences. Water permeability is locally enhanced around the NP, in an annularregion that extends only a few nm far from the nanoparticle interface. Wecorrelate the local enhancement of permeability at the NP-lipid interface tothe temperature inhomogeneities of the membrane and to the consequentavailability of free volume pockets within the membrane core.

Local Enhancement of lipid membrane permeability induced by irradiated gold nanoparticles