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Interpretation of the Performance Profiles of Miniaturized NIR Spectrometers. The Case of Bioactive Compounds in Medicinal Plants
Monday, March 08, 2021: 8:30 AM - 6:00 PM
Speaker(s)
Description
Near-infrared (NIR) spectroscopy advanced considerably in the recent decades becoming a major analytical tool in several fields. However, the intrinsic complexity of NIR spectra and difficulty in their analysis create a particular need for fundamental research aimed at the foundation of this potent analytical tool. Our research is directed at employing theoretical chemistry for simulation of NIR spectra, which enables us to yield new insights into the background underlying practical analyses.
NIR spectroscopy is rapidly advancing as the analytical technique in the phytopharmaceutical industry. Natural medicines processed from plants are of great importance as pure compounds as well as standardized extracts and NIR spectroscopy finds extensive use in laboratory as well as directly in-field. The latter is feasible with the use of novel handheld NIR spectrometers. Miniaturized instrumentation is an extremely important tool in practical use. However, different miniaturized spectrometers measure distinct and limited spectral regions. Hence, their ability to elucidate chemical information is varying depending on the absorption spectrum of a given constituent.
Here, we demonstrate how fundamental research can advance NIR spectroscopy in practical use. The study of caffeine and L-theanine in black tea (Camellia sinensis) by benchtop and handheld NIR spectroscopy. These two active ingredients are primarily responsible for therapeutic properties of black tea; yet, their NIR spectral features are distinct. In this work, we demonstrate how the performance profiles of different miniaturized spectrometers in the quantitative analysis of these two constituents can be easily interpreted with aid from quantum chemically simulated NIR spectra.
This work was supported by Austrian Science Fund (FWF): P32004-N28.
Additional Info
Keywords: Please select up to 4 keywords ONLY:
Natural Products,Infrared Spectroscopy,Spectroscopy
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