NanoUV-VIS: Monitoring the evolution of nanoparticles optical properties - 2020 Shiny Contest Submission

NanoUV-VIS: An interactive visualization tool for monitoring the evolution of optical properties of nanoparticles throughout synthesis reactions.

Authors: Gabriel Fonseca Sarmanho
Working with Shiny more than 1 year

Abstract: NanoUV-VIS is an interactive web application designed for the analysis of multiple UV-VIS spectrum measurements as a function of time, creating different graphical visualizations in 2 and 3 dimensions such a spectrum plots, surface plot, and contour plot. This tool evaluate important parameters of the absorption bands of the NPs. Specifically, it provides their maximum optical absorbance, Surface Plasmon Resonance peak (SPR) and Full Width at Half maximum (FWHM).These parameters are closely related to the diameter, shape, and polydispersity of metal and semiconductor NPs. Therefore, this application can be used to monitor the nano-manufacturing of NPs, to understand its stability under different conditions and mediums, to establish their optical properties, among others studies which use spectrochemical analysis (UV-VIS) as technique to characterize NPs.

Full Description: Engineered nanoparticles (NPs) are being used for a broad array of high-technology applications, including sensing, imaging, targeted drug delivery, biodiagnostics, catalysis, optoelectronics, and film growth seeding. The enhanced optical, electrical, and catalytic properties of metal NPs are strongly correlated with their size, shape, and structure. As such, physicochemical characterization of NPs is critically important to ensure their effective use and applicability.

In this context, ultraviolet-visible spectroscopy (UV-VIS) is one of the most widely used methods for measuring the optical properties and electronic structures of NPs. UV-VIS absorption bands are related to important properties such as the diameter, shape, and polydispersion of metallic and semiconductor NPs. Thus, this analytical technique is used during NP synthesis to monitor NP formation, to assess suspension stability under different conditions and media, and to establish the optical properties of the newly formed nanomaterials.

In view of the extensive use of UV-VIS for NP characterization and monitoring of NP formation during synthesis reactions, we developed NanoUV-VIS, an interactive web application designed for the analysis of multiple UV-VIS absorbance spectra measured as a function of time. Graphical visualizations of the data in two dimensions (spectrum plot, contourplot) and three dimensions (surface plot) are created by this tool. In addition, the NanoUV-VIS tool evaluates and estimates important parameters related to the absorption bands of NPs, including maximum optical absorbance, surface plasmon resonance (SPR) peak, and the full width at half maximum (FWHM) of the UV-VIS spectra. This information is available to download as a table in the software, as well as in the form of interactive plots, where the scientist can compare the behavior of these parameters in order to better interpret the outcomes of the experiment.

Though NanoUV-VIS was designed to visualize NP synthesis, this tool can be used for a wide range of other applications in nanotechnology and nanoscience, such as the assessment of suspension stability, the investigation of the influence of coating agents on the NP optical properties, and the monitoring of seedmediated NP synthesis, among others. Moreover, this data analysis and visualization tool can be extended to other fields beyond nanotechnology in which spectrochemical analysis by UV-VIS plays an important role.


Category: Research
Keywords: shinyapp, data visualization, data exploration, plotly, DT, 3D spectrum, ultraviolet–Visible spectroscopy, nanoparticles
Shiny app: https://gfsarmanho.shinyapps.io/NanoUVVisApp/
Repo: https://github.com/gfsarmanho/NanoUVVIS.App
RStudio Cloud: https://rstudio.cloud/project/1107700

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