A smart spectral analysis strategy-based UV and FT-IR spectroscopy fingerprint: Application to quality evaluation of compound liquorice tablets

This study focuses on development of a smart spectral analysis strategy for rapid quality evaluation of complex sample. Firstly, the ultraviolet (UV) and Fourier Transform Infrared (FT-IR) spectroscopy were established. Secondly, the second derivative UV spectral was obtained and showed 7 major absorption peaks, which was the projection of the 3D-spectrum profile. It can perform peak matching like chromatogram, thus, helpful for 3D UV spectrum analysis, qualitatively and quantitatively. The qualitative and quantitative similarity results based on systematic quantified fingerprint method displayed basically a consistency with their hierarchical cluster analysis results. Notably, the quality evaluation of the first proposed FT-IR spectral quantized fingerprints and the good correlation of P-m% with PA (R-2 = 0.80296), as well as the excellent quantitative prediction model for liquiritin, glycyrrhizinic acid and sodium benzoate all indicated the promising of FT-IR spectral quantized fingerprint in quantitative analysis and QC of compound liquorice tablets. Finally, an integrated evaluate strategy was developed by mean algorithm to reduce the error caused by single technique. 54 samples integrally had a good quality consistency as their quality ranged grade 1-5. This study illustrated that the smart data analysis strategy based on spectral fingerprint has potential to enhance existing methodologies for further rapid and integrated studies evaluating the quality of herbal medicine and its related products. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

This study developed a smart spectral analysis strategy for rapid quality evaluation of complex samples. Results showed that qualitative and quantitative analysis methods based on spectral fingerprints can accurately assess sample quality, promising applications in quality evaluation of herbal medicine and related products.