Department of Chemistry, University of Wrocław, ul. F. Joliot-Curie 14, 50-383 Wrocław, Poland.
Department of Pharmacognosy and Herbal Medicines, Faculty of Pharmacy, Wroclaw Medical University, ul. Borowska 211, 50-556 Wrocław, Poland.
Molecules. 2022 Dec 25;28(1):161. doi: 10.3390/molecules28010161.
is a plant that has been used in natural medicine for hundreds of years; it works primarily as an antioxidant and cleansing agent. leaves or herb can be an attractive source of polyphenols and flavonoids. The official protocols of active compound analysis relies on the extraction of compounds of interest from plant matter, which makes their determination long and costly. An analysis of plant material in its native state can be performed using vibrational spectroscopy. This paper presents a comparison of Raman spectroscopy, attenuated total reflection in mid-infrared and diffuse reflectance technique in the near-infrared region for the simultaneous quantification of total polyphenols (TPC) and flavonoids (TF) content, as well as the determination of FRAP antioxidant activity of material. Utilizing vibrational spectra and using partial least squares algorithm, TPC and TF were quantified with the RSEP errors in the 2.7-5.4% range, while FRAP antioxidant activity for validation sets was determined with relative errors ranged from 5.2 to 9.3%. For the analyzed parameters, the lowest errors of predictions were computed for models constructed using Raman data. The developed models allow for fast and precise quantification of the studied active compounds in material without any chemical sample treatment.
是一种在自然医学中使用了数百年的植物；它主要作为一种抗氧化剂和清洁剂起作用。 叶子或草药可以是多酚和类黄酮的有吸引力的来源。活性化合物分析的官方方案依赖于从植物物质中提取感兴趣的化合物，这使得它们的测定既漫长又昂贵。可以使用振动光谱对植物材料进行原位分析。本文比较了拉曼光谱、中红外衰减全反射和近红外漫反射技术在同时定量总多酚（TPC）和类黄酮（TF）含量以及测定 材料 FRAP 抗氧化活性方面的应用。利用振动光谱并使用偏最小二乘算法，TPC 和 TF 的定量误差在 2.7-5.4%范围内，而验证集的 FRAP 抗氧化活性的相对误差范围为 5.2-9.3%。对于分析的参数，使用拉曼数据构建的模型计算出的预测误差最低。所开发的模型允许在无需任何化学样品处理的情况下，快速准确地定量分析 材料中的研究活性化合物。
