This article highlights a breakthrough in carotenoid analysis, focusing on a novel quantum chemical approach developed by researchers from HPC Systems Inc. and Meijo University. Traditional methods for analyzing carotenoids, such as β-carotene and astaxanthin, are time-consuming and prone to high error rates, especially when identifying bioactive Z-isomers. The new method leverages density functional theory (DFT) to simulate UV-visible spectra, enabling precise and rapid analysis with an error margin below 2.5%. This innovation drastically reduces analysis time from months to minutes and allows accurate identification of isomers in complex mixtures. It also offers the potential for more accurate labeling of bioactive compounds, benefiting industries like food, cosmetics, and pharmaceuticals. Future research aims to refine the method for real-world applications and expand its use to other unstable or rare molecules.
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Virtual Lab Inc., the parent company of the Materials Square platform
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