UPLC-Q-TOF/MS-based untargeted metabolomics for discrimination of navel oranges from different geographical origins of China

Li, Yuhao; Lü, Liang; Chun-hui, Xu; Yang, Taowei; Wang, Yuanxing

doi:10.1016/j.lwt.2020.110382

Cited by 26 publications

(10 citation statements)

References 34 publications

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“…The methods and conditions of the HPLC–Quadrupole Time-of-Flight MS–MS analysis refer to previously reported methods, with some modifications [ 29 ]. Briefly, Chromatographic evaluations were performed on an Agilent 1260 series HPLC system equipped with a binary pump, a micro degasser, an autosampler, and a temperature-controlled column compartment.…”

Section: Methodsmentioning

confidence: 99%

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Identification of Deoxynivalenol and Degradation Products during Maize Germ Oil Refining Process

Guo

Shi

et al. 2022

Foods

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Deoxynivalenol (DON) contamination in germs and germ oil is posing a serious threat to food and feed security. However, the transformation pathway, the distribution of DON, and its degradation products in edible oil refining have not yet been reported in detail. In this work, we systematically explored the variation of DON in maize germ oil during refining and demonstrated that the DON in germ oil can be effectively removed by refining, during which a part of DON was transferred to the wastes, and another section of DON was degraded during degumming and alkali refining. Moreover, the DON degradation product was identified to be norDON B by using the ultraviolet absorption spectrum, high-performance liquid chromatography (HPLC), ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF MS), and nuclear magnetic resonance (NMR) methods, and the degradation product was found to be distributed in waste products during oil refining. This study provides a scientific basis and useful reference for the production of non-mycotoxins edible oil by traditional refining.

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Section: Methodsmentioning

confidence: 99%

“…To ensure the desired mass accuracy of the collected ions, the reference masses Purine and HP-0921 were utilized for internal mass calibration. The extracts were analyzed in a mass range of 50–1000 m / z , and the isolation width was set to medium (~4 m / z ) [ 29 ].…”

Section: Methodsmentioning

confidence: 99%

Identification of Deoxynivalenol and Degradation Products during Maize Germ Oil Refining Process

Guo

Shi

et al. 2022

Foods

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“…The VIP score reflects the importance of the X variable relative to the Y variable in the model (the predictive part of the model) and can be used as a potential variable selection method to select the most differential geographically derived dependent metabolites. In general, the variable with VIP value greater than 1 is usually selected as an important index of the model [ 3 , 7 , 25 , 26 ]. So, according to VIP value in OPLS-DA analysis (VIP > 1), the meaningful compounds were screened out.…”

Section: Methodsmentioning

confidence: 99%

Authentication of Geographical Origin in Hainan Partridge Tea (Mallotus obongifolius) by Stable Isotope and Targeted Metabolomics Combined with Chemometrics

et al. 2021

Foods

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Partridge tea (Mallotus oblongifolius (Miq.) Müll.Arg.) is a local characteristic tea in Hainan, the southernmost province of China, and the quality of partridge tea may be affected by the producing areas. In this study, stable isotope and targeted metabolomics combined chemometrics were used as potential tools for analyzing and identifying partridge tea from different origins. Elemental analysis—stable isotope ratio mass spectrometer and liquid chromatography-tandem mass spectrometrywas used to analyze the characteristics of C/N/O/H stable isotopes and 54 chemical components, including polyphenols and alkaloids in partridge tea samples from four regions in Hainan (Wanning, Wenchang, Sanya and Baoting). The results showed that there were significant differences in the stable isotope ratios and polyphenol and alkaloid contents of partridge tea from different origins, and both could accurately classify partridge tea from different origins. The correct separation and clustering of the samples were observed by principal component analysis and the cross-validated Q2 values by orthogonal partial least squares discriminant analysis (OPLS-DA) were 0.949 (based on stable isotope) and 0.974 (based on polyphenol and alkaloid), respectively. Potential significance indicators for origin identification were screened out by OPLS-DA and random forest algorithm, including three stable isotopes (δ13C, δ D, and δ18O) and four polyphenols (luteolin, protocatechuic acid, astragalin, and naringenin). This study can provide a preliminary guide for the origin identification of Hainan partridge tea.

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“…Gannan navel oranges are a PGI product in gannan region (China), and geographical origin of navel oranges is a growing concern. In an investigation (Y. Li & L. Liang et al., 2021), an UPLC‐Q‐ToF‐based untargeted metabolomics approach was used to differentiate navel oranges harvested from different geographical regions. Forty‐two potential differential metabolites were selected and identified; and the sixteen metabolites therein were used for the targeted classification of the samples from different areas, each with AUC > 0.9 in ROC analysis and p < 0.05 in logistic‐regression analysis.…”

Section: Recent Applicationsmentioning

confidence: 99%

Untargeted metabolomics by liquid chromatography‐mass spectrometry for food authentication: A review

Zhong

Wei

et al. 2022

Comp Rev Food Sci Food Safe

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Food fraud is currently a growing global concern with far-reaching consequences. Food authenticity attributes, including biological identity, geographical origin, agricultural production, and processing technology, are susceptible to food fraud. Metabolic markers and their corresponding authentication methods are considered as a promising choice for food authentication. However, few metabolic markers were available to develop robust analytical methods for food authentication in routine control. Untargeted metabolomics by liquid chromatography-mass spectrometry (LC-MS) is increasingly used to discover metabolic markers. This review summarizes the general workflow, recent applications, advantages, advances, limitations, and future needs of untargeted metabolomics by LC-MS for identifying metabolic markers in food authentication. In conclusion, untargeted metabolomics by LC-MS shows great efficiency to discover the metabolic markers for the authenticity assessment of biological identity, geographical origin, agricultural production, processing technology, freshness, cause of animals' death, and so on, through three main steps, namely, data acquisition, biomarker discovery, and biomarker validation. The applica-

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UPLC-Q-TOF/MS-based untargeted metabolomics for discrimination of navel oranges from different geographical origins of China

Cited by 26 publications

References 34 publications

Identification of Deoxynivalenol and Degradation Products during Maize Germ Oil Refining Process

Identification of Deoxynivalenol and Degradation Products during Maize Germ Oil Refining Process

Authentication of Geographical Origin in Hainan Partridge Tea (Mallotus obongifolius) by Stable Isotope and Targeted Metabolomics Combined with Chemometrics

Untargeted metabolomics by liquid chromatography‐mass spectrometry for food authentication: A review

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