1H NMR and chemical analysis to characterize camellia oil obtained by different extraction methods: A comparative study using chemometrics

IF 4 2区农林科学 Q2 CHEMISTRY, APPLIED

Journal of Food Composition and Analysis Pub Date : 2024-11-04 DOI:10.1016/j.jfca.2024.106926

Ting Shi , Gangcheng Wu , Qingzhe Jin , Xingguo Wang

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引用次数: 0

Abstract

Camellia oil has become one of the most popular edible vegetable oils especially in China. It can be obtained by cold-pressing (CPE), soxhlet extraction (SE), aqueous enzymatic extraction (AEE), and supercritical carbon dioxide extraction (SC-CO₂), while research on their efficient identification is limited. Thus, in this study, proton nuclear magnetic resonance (¹H NMR) and conventional chemical analysis, respectively coupled to chemometrics, were employed to compare the camellia oils, produced by CPE, SE, AEE, and SC-CO₂. The results showed an obviously overlapping among those four different extracted camellia oils, in both principal component analysis (PCA) and hierarchical clustering analysis (HCA), when using fatty acids as input variables. While two obtained PCA models showed good discrimination, according to the minor component compositions (α-tocopherol, squalene, stigmasterol, β-sitosterol, β-amyrin and lanosterol) and ¹H NMR spectra, respectively. Additionally, by means of variable importance for the projection (VIP) scores, less 10 dominant ¹H NMR spectra signals were screened out as detailed markers for different camellia oils classification. Therefore, ¹H NMR combined with chemometrics may be applied as an efficient technique to classify different extracted camellia oils and potentially other vegetable oils.

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用 1H NMR 和化学分析表征不同萃取方法提取的山茶油：利用化学计量学进行比较研究

山茶油已成为最受欢迎的食用植物油之一，尤其是在中国。山茶油可通过冷榨（CPE）、索氏提取（SE）、水酶提取（AEE）和超临界二氧化碳提取（SC-CO2）等方法获得，但对其有效鉴定的研究却很有限。因此，本研究分别采用质子核磁共振（1H NMR）和传统化学分析，并结合化学计量学，对 CPE、SE、AEE 和 SC-CO2 萃取的山茶油进行比较。结果表明，当使用脂肪酸作为输入变量时，这四种不同提取的山茶油在主成分分析（PCA）和层次聚类分析（HCA）中有明显的重叠。根据次要成分组成（α-生育酚、角鲨烯、豆甾醇、β-谷甾醇、β-羊毛甾醇和羊毛甾醇）和 1H NMR 光谱，所得到的两个 PCA 模型分别显示出良好的区分度。此外，通过投影重要性变量（VIP）评分，筛选出了少于 10 个占主导地位的 1H NMR 光谱信号，作为不同山茶油分类的详细标记。因此，1H NMR 与化学计量学相结合可作为一种有效的技术，用于对不同的山茶油及其他潜在的植物油进行分类。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Food Composition and Analysis 工程技术-食品科技

CiteScore

6.20

自引率

11.60%

发文量

601

审稿时长

53 days

期刊介绍： The Journal of Food Composition and Analysis publishes manuscripts on scientific aspects of data on the chemical composition of human foods, with particular emphasis on actual data on composition of foods; analytical methods; studies on the manipulation, storage, distribution and use of food composition data; and studies on the statistics, use and distribution of such data and data systems. The Journal''s basis is nutrient composition, with increasing emphasis on bioactive non-nutrient and anti-nutrient components. Papers must provide sufficient description of the food samples, analytical methods, quality control procedures and statistical treatments of the data to permit the end users of the food composition data to evaluate the appropriateness of such data in their projects. The Journal does not publish papers on: microbiological compounds; sensory quality; aromatics/volatiles in food and wine; essential oils; organoleptic characteristics of food; physical properties; or clinical papers and pharmacology-related papers.