In this study, the chemical composition of Juglandis semen extracts obtained by different extraction solvents and methods were determined by Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy. The multivariate analyses, principal component analysis and hierarchical cluster analysis of the FTIR and Raman spectral datasets, were performed to determine the differences in the chemical composition according to the solvent (e.g., mixture of water with alcohol, glycerole, and propylene glycol) and the extraction method (i.e., ultrasound‐assisted extraction, rapid pressurized extraction, and subcritical fluid extraction). The obtained results reveal that the J. semen extracts with water‐alcohol solvent have equivalent chemical composition. A well‐defined differentiation based on extraction method could not be highlighted. Based on FTIR data compilation, it can be observed that a first classification can be made based on the solvent, acidic or basic, used for extraction methods (except subcritical fluid extraction ‐ SFE, clustering is clearly assigned by the solvent). Multivariate analysis on FTIR and Raman spectral data was able to differentiate SFE extract as a unique cluster, which means HFC134a solvent allowed a specific extraction (from organic constituents' point of view) due to the selected conditions of extraction method.

中文翻译：

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基于化学计量学的胡桃精液提取物研究的振动光谱学

本研究通过傅里叶变换红外光谱和拉曼光谱测定了不同提取溶剂和方法提取的胡桃提取物的化学成分。对 FTIR 和拉曼光谱数据集进行多变量分析、主成分分析和层次聚类分析，以确定根据溶剂（例如，水与醇、甘油和丙二醇的混合物）和提取方法（即超声辅助提取、快速加压提取和亚临界流体提取）。所得结果表明，用水-醇溶剂提取的 J. 精液具有相当的化学成分。无法突出基于提取方法的明确区分。根据 FTIR 数据汇编，可以观察到，可以根据用于提取方法的溶剂（酸性或碱性）进行第一次分类（亚临界流体提取 - SFE 除外，聚类由溶剂明确指定）。对 FTIR 和拉曼光谱数据的多变量分析能够将 SFE 提取物区分为一个独特的簇，这意味着由于选择的提取方法条件，HFC134a 溶剂允许特定的提取（从有机成分的角度来看）。