Optical Response of Sila-Fulleranes in Interaction With Glycoproteins for Environmental Monitoring

Mohammad Qasemnazhand,Farhad Khoeini,Farah Marsusi

doi:10.3389/fphy.2021.691034

Abstract

In this paper, we introduce new features of silicon in fullerane structures. Silicon, when placed in a fullerane structure, increases its electron affinity and electrophilicity index, compared to placement in a diamondoids structure. These nanoparticles can be used to make optical sensors to detect viral environments. In this work, we theoretically examine the changes in the UV-Visible spectrum of sila-fulleranes by interacting with viral spikes. As a result, we find out how the color of silicon nanoparticles changes when they interact with viruses. We apply N- and O-Links for viral glycoprotein structures, and Si20H20silicon dodecahedrane, respectively. Our computational method to obtain optimal structures and their energy in the ground and excited states, is density functional theory (DFT). Besides, to get the UV-Visible spectrum, time-dependent density functional theory (TD-DFT) approach has been used. Our results show that the color of sila-dodecahedrane is white, and turns green in the face of viral spikes. We can use the optical sensitivity of silicon nanoparticles, especially to identify environments infected with the novel coronavirus.

Highlights

If environmental health can reduce the role of viruses, the complex issue of treating viral patients will be removed from its critical state
We indicate that when silicon is placed in a fullerane structure, its electron sensitivity increases, so that we do our study on sila-fulleranes [17,18,19,20,21]
We propose that silicon nanoparticles have the ability to sense N-Link and O-Link glycoproteins

Summary

Introduction

If environmental health can reduce the role of viruses, the complex issue of treating viral patients will be removed from its critical state. These methods are based on disinfecting suspicious, susceptible, and busy places. These are very costly due to the large statistical target population; as a result, it is sometimes impossible to do so [1]. Nanoparticles can be sensitive to the viral environment. This sensitivity can appear as changes in color, light or even electrical properties. Metal nanoparticles have previously been studied to identify a variety of microbes. They usually have high chemical softness, which causes them to be unstable, and causes unpredictable changes in biological systems [2, 3]. Graphene-based nanoparticles always tend to oxidize [8]

Methods

Results

Conclusion