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橄榄油分类校准模型的稳健性研究:基于 GC-IMS 的靶向和非靶向指纹方法。

A robustness study of calibration models for olive oil classification: Targeted and non-targeted fingerprint approaches based on GC-IMS.

机构信息

Department of Analytical Chemistry, Institute of Fine Chemistry and Nanochemistry, University of Córdoba, Campus de Rabanales, Marie Curie Annex Building, E-14071 Córdoba, Spain; Department of Chemical, Environmental and Materials Engineering, Universidad de Jaén, Campus Las Lagunillas, 23071 Jaén, Spain.

Department of Analytical Chemistry, Institute of Fine Chemistry and Nanochemistry, University of Córdoba, Campus de Rabanales, Marie Curie Annex Building, E-14071 Córdoba, Spain.

出版信息

Food Chem. 2019 Aug 1;288:315-324. doi: 10.1016/j.foodchem.2019.02.104. Epub 2019 Mar 1.

Abstract

The dual separation in gas chromatography-ion mobility spectrometry generates complex multi-dimensional data, whose interpretation is a challenge. In this work, two chemometric approaches for olive oil classification are compared to get the most robust model over time: i) an non-targeted fingerprinting analysis, in which the overall GC-IMS data was processed and ii) a targeted approach based on peak-region features (markers). A total of 701 olive samples from two harvests (2014-2015 and 2015-2016) were analysed and processed by both approaches. The models built with data samples of 2014-2015 showed that both approaches were suitable for samples classification (success >74%). However, when these models were applied for classifying samples from 2015-2016, better values were obtained using markers. The combination of data from the two harvests to build the chemometric models improved the percentages of success (>90%). These results confirm the potential of GC-IMS based approaches for olive oil classification.

摘要

气相色谱-离子迁移谱的双重分离产生复杂的多维数据,其解释是一个挑战。在这项工作中,比较了两种化学计量学方法来对橄榄油进行分类,以获得随时间推移最稳健的模型:i)非靶向指纹分析,其中对整体 GC-IMS 数据进行处理,ii)基于峰区特征(标志物)的靶向方法。对来自两个收获期(2014-2015 年和 2015-2016 年)的 701 个橄榄油样本进行了分析和处理,这两种方法都进行了分析和处理。使用 2014-2015 年的数据样本建立的模型表明,这两种方法都适用于样品分类(成功率>74%)。然而,当将这些模型应用于对 2015-2016 年的样本进行分类时,使用标志物可以获得更好的结果。结合两个收获期的数据来建立化学计量学模型,提高了成功率(>90%)。这些结果证实了基于 GC-IMS 的方法在橄榄油分类中的潜力。

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