Evaluation of phenolics in the analysis of virgin olive oil using near infrared spectroscopy

Xue Li , Concepción Muñoz-Díez , Hristofor Miho , Liangxiao Zhang , Peiwu Li , Feliciano Priego , Sara Oulbi , Elif Burcin Uyanik , Georgios Koubouris , Enzo Perri , Dolores Pérez-Marín
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Abstract

Olive oil is an indispensable part of the diet in Mediterranean regions, and is appreciated worldwide for its sensory characteristics, combining a fine aroma and pleasant flavor with the high nutritional value of specific chemical compounds. However, making rapid measurements of phenolic compounds is a major challenge for the olive oil sector. The development of a new method based on near infrared (NIR) spectroscopy may be considered an important advance for the sector, as it is rapid, low-cost, non-contaminant and non-destructive. In this study, three different NIR instruments – one FT-NIR benchtop instrument (671.82–2702.70 nm) and two low-cost portable devices (900–1700 nm and 1350–2150 nm) – were used to analyze a collection of virgin olive oil samples from various Mediterranean regions. To predict both the individual and total concentration of phenols in the olive oil, four signal pretreatment methods and modified partial least squares regression analyses were employed to develop the predictive models. The results showed that the benchtop FT-NIR instrument performed better than the other portable instruments when measuring the phenolic compounds in virgin olive oil. The best models of hydroxytyrosol derivatives, tyrosol derivatives, total phenols and “EFSA phenols” showed R2cv values of 0.84, 0.85, 0.88 and 0.89, while the RPDcv values were 2.51, 2.61, 2.93 and 2.95, respectively. Meanwhile, for the portable NIR instruments, the prediction models for hydroxytyrosol derivatives, total phenols and “EFSA phenols” (the sum of the hydroxityrosol and tyrosol derivatives) showed R2cv values ranging between 0.75 and 0.81 and an RPDcv between 2 and 2.5. These results indicate the great potential of NIR, both with benchtop and portable devices, to detect phenolic compounds in virgin olive oil, which can guarantee the quality of virgin olive oil and thus aid progress in the olive oil industry. Moreover, this is the first published work to determine phenolic compounds in virgin olive oil using portable NIR instruments.

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利用近红外光谱分析初榨橄榄油中的酚类物质
橄榄油是地中海地区饮食中不可或缺的一部分,因其感官特征而受到全世界的青睐,它集芳香怡人的口感和特定化合物的高营养价值于一身。然而,快速测量酚类化合物是橄榄油行业面临的一大挑战。基于近红外光谱的新方法具有快速、低成本、无污染和无破坏性等特点,因此它的开发可被视为橄榄油行业的一项重要进步。在这项研究中,使用了三种不同的近红外仪器--一台傅立叶变换近红外台式仪器(671.82-2702.70 nm)和两台低成本便携式仪器(900-1700 nm 和 1350-2150 nm)--来分析来自不同地中海地区的初榨橄榄油样品。为了预测橄榄油中酚类物质的单个浓度和总浓度,采用了四种信号预处理方法和修正的偏最小二乘法回归分析来建立预测模型。结果表明,在测量初榨橄榄油中的酚类化合物时,台式傅立叶变换近红外仪器的性能优于其他便携式仪器。羟基酪醇衍生物、酪醇衍生物、总酚和 "EFSA 酚 "的最佳模型 R2cv 值分别为 0.84、0.85、0.88 和 0.89,RPDcv 值分别为 2.51、2.61、2.93 和 2.95。同时,对于便携式近红外仪器,羟基酪醇衍生物、总酚和 "EFSA 酚"(羟基酪醇和酪醇衍生物的总和)的预测模型显示 R2cv 值在 0.75 和 0.81 之间,RPDcv 在 2 和 2.5 之间。这些结果表明,无论是使用台式设备还是便携式设备,近红外技术在检测初榨橄榄油中的酚类化合物方面都具有巨大的潜力,可以保证初榨橄榄油的质量,从而促进橄榄油行业的发展。此外,这是首次使用便携式近红外仪器检测初榨橄榄油中的酚类化合物。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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