Non-targeted volatilomics for the authentication of saffron by gas chromatography-ion mobility spectrometry and multivariate curve resolution

IF 8.5 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry Pub Date : 2024-11-17 DOI:10.1016/j.foodchem.2024.142074

Hadi Parastar, Hassan Yazdanpanah, Philipp Weller

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Abstract

In the present contribution, a novel non-targeted volatilomic study based on headspace GC-IMS (HS-GC-IMS) was developed for the authentication and geographical origin discrimination of saffron. In this regard, multivariate curve resolution-alternating least squares (MCR-ALS) was employed to recover the pure GC elution and IMS profiles of saffron metabolites. Iranian saffron samples from seven important areas were analyzed by HS-GC-IMS. The resulting second-order GC-IMS datasets were organized in a augmented matrix and processed using MCR-ALS with various constraints. The MCR-ALS resolved GC profiles were analyzed by different pattern recognition techniques; principal component analysis (PCA), partial least squares-discriminant analysis (PLS-DA) and data driven-soft independent modeling of class analogy (DD-SIMCA). The saffron samples were assigned to their seven geographical origins with an accuracy of 89.0 %. Additionally, four adulterants (style, safflower, madder and calendula) were reliably detected with over 94.0 % accuracy. In this context, GC-IMS substantially outperformed the commonly used FT-NIR spectroscopy approach.

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利用气相色谱-离子迁移谱法和多变量曲线分辨率对藏红花进行非目标挥发物组学鉴定

本研究开发了一种基于顶空气相色谱-质谱（HS-GC-IMS）的新型非靶向挥发研究，用于藏红花的鉴定和地理产地鉴别。在这方面，采用了多元曲线解析-交替最小二乘法（MCR-ALS）来恢复藏红花代谢物的纯气相色谱洗脱和 IMS 图谱。采用 HS-GC-IMS 分析了来自七个重要地区的伊朗藏红花样品。所得到的二阶 GC-IMS 数据集被组织在一个增强矩阵中，并使用 MCR-ALS 在各种限制条件下进行处理。MCR-ALS 解析出的气相色谱图采用不同的模式识别技术进行分析：主成分分析（PCA）、偏最小二乘法-判别分析（PLS-DA）和数据驱动-类比软独立建模（DD-SIMCA）。藏红花样品被归入七个地理产地，准确率为 89.0%。此外，还可靠地检测出了四种掺假物质（花柱、红花、茜草和金盏花），准确率超过 94.0%。在这种情况下，气相色谱-质谱联用仪的性能大大优于常用的傅立叶变换-近红外光谱法。

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来源期刊

Food Chemistry 工程技术-食品科技

CiteScore

16.30

自引率

10.20%

发文量

3130

审稿时长

122 days

期刊介绍： Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.