{"title":"Evaluation of phenolics in the analysis of virgin olive oil using near infrared spectroscopy","authors":"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","doi":"10.1016/j.saa.2024.125262","DOIUrl":null,"url":null,"abstract":"<div><div>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 R<sup>2</sup><sub>cv</sub> values of 0.84, 0.85, 0.88 and 0.89, while the RPD<sub>cv</sub> 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 R<sup>2</sup><sub>cv</sub> values ranging between 0.75 and 0.81 and an RPD<sub>cv</sub> 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142524014288","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
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.
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.