Department of Chemistry, University of Wrocław, Wrocław, Poland.
Department of Food Storage and Technology, Faculty of Biotechnology and Food Science, Wrocław University of Environmental and Life Sciences, Wrocław, Poland.
J Sci Food Agric. 2024 Feb;104(3):1399-1407. doi: 10.1002/jsfa.13021. Epub 2023 Oct 18.
Determination of composition and physicochemical parameters of natural products requires dedicated, often laborious and expensive, analytical protocols. Different spectroscopic techniques, in conjunction with chemometrics, seem to have a considerable potential in direct analysis of raw plant material and foods, without any chemical treatment.
Fluorescence spectroscopy and three vibrational spectroscopy techniques were applied to determine total polyphenol content, antioxidant activity and macronutrient levels in red- and purple-fleshed potato varieties. Excitation-emission matrix fluorescence, Fourier transform Raman, attenuated total reflection Fourier transform infrared and near-infrared spectra were recorded for the freeze-dried samples. Combining spectral data and the results of reference analyses, partial least squares regression models were constructed for each parameter studied. For polyphenols and antioxidant activity, quantification errors found for validation samples amounted to 3.74-5.04% and 4.75-6.35%, respectively, whereas macronutrient analysis gave errors in the 3.45-4.55%, 3.09-5.30% and 5.10-8.58% ranges for starch, protein and sugar determinations, respectively.
The obtained results demonstrate that different spectroscopic techniques in combination with multivariate modeling allow simultaneous determination of various parameters of plant samples based on a single sample spectrum. They can effectively replace commonly used protocols of food product analysis requiring sample dissolving and extraction of the compounds of interest. © 2023 Society of Chemical Industry.
天然产物的组成和物理化学参数的测定需要专门的、通常是费力且昂贵的分析方案。不同的光谱技术结合化学计量学,似乎在直接分析原始植物材料和食品方面具有相当大的潜力,而无需任何化学处理。
荧光光谱和三种振动光谱技术被应用于测定红皮和紫皮马铃薯品种中的总多酚含量、抗氧化活性和宏量营养素水平。对冻干样品进行了激发-发射矩阵荧光、傅里叶变换拉曼、衰减全反射傅里叶变换红外和近红外光谱的记录。结合光谱数据和参考分析的结果,为每个研究参数构建了偏最小二乘回归模型。对于多酚和抗氧化活性,验证样品的定量误差分别为 3.74-5.04%和 4.75-6.35%,而对于宏量营养素分析,淀粉、蛋白质和糖测定的误差分别在 3.45-4.55%、3.09-5.30%和 5.10-8.58%范围内。
研究结果表明,不同的光谱技术与多元建模相结合,可以基于单个样品光谱同时测定植物样品的各种参数。它们可以有效地替代通常使用的食品分析协议,这些协议需要溶解样品并提取感兴趣的化合物。© 2023 化学工业协会。