Abstract

PEGylation is widely applied as a surface modification method for nanoparticles in biomedical applications to improve their biological properties, including biocompatibility and immunogenicity. In most of its biomedical applications, nanoparticles are served as optical or thermal contrast agents. Therefore, the impact of poly (ethylene glycol) (PEG) coating thickness on the optical and thermal properties of nanoparticles needs to be further investigated. In the present work, we studied two kinds of commonly used nanoparticles, including nanosphere and nanorod. The temperature and electric fields are obtained for nanoparticles with different PEG coating thicknesses. It is found that the change of PEG coating thickness on gold nanospheres only has impact on the absolute value of maximum absorption and scattering efficiencies, which barely influences the LSPR wavelength λmax and other optical and thermal characteristics. In contrast, for nanorod, the maximum efficiencies are barely influenced by the variation of PEG coating thickness. On the other hand, the localized surface plasmon resonance wavelength has an evident red shift with the increasing of PEG coating thickness. The maximum absorption efficiency is a way to evaluate the energy dissipation rate, which decides the scale of the heat source induced by nanoparticles. These findings are crucial for the accurate prediction of optical and thermal properties of nanoparticles in biomedical application. The present work also presents a possible way to manipulate the optical and thermal behaviors of nanoparticles in the application of biomedicine without changing the morphology of nanoparticles.

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