Untargeted NMR-Based Methodology in the Study of  Fruit Metabolites

Sobolev, Anatoly P.; Mannina, Luisa; Proietti, Noemi; Carradori, Simone; Daglia, Maria; Giusti, Anna Maria; Antiochia, Riccarda; Capitani, Donatella

doi:10.3390/molecules20034088

Cited by 52 publications

(39 citation statements)

References 35 publications

(59 reference statements)

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“…6d-f) was the minor (ppm): 'Bidan ' (8.16, 7.22, 6.60, 6.23), 'Hayward' (8.17,7.22,6.64,6.23), 'Ananasnaya' (8.15, 7.23, 6.58, 6.21). Using the NMR approach, it has been possible to identify primary as well as secondary metabolites of different fruits such as grape, orange, apple juice, mandarin, orange, kiwi fruits, mango, black raspberry, melon, watermelon, blueberry, and peaches (Sobolev et al 2015;Capitani et al 2010;Capitani et al 2013a and2013b). As it can be seen from the obtained data, all peaks in aromatic region in the cultivars were completely similar in DMSO solvent.…”

Section: Nmr Spectra Of Polyphenolsmentioning

confidence: 88%

Analytical Methods Applied to Characterization of Actinidia arguta, Actinidia deliciosa, and Actinidia eriantha Kiwi Fruit Cultivars

et al. 2015

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In this research, eight kiwi fruit genotypes (six hardy kiwis (Actinidia arguta and their hybrids), one of Actinidia deliciosa 'Hayward,' and one of Actinidia eriantha 'Bidan' were examined and compared by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), Fourier transform infrared (FT-IR) spectra, and nuclear magnetic resonance (NMR) spectroscopy. Proteins were extracted from lyophilized fruits, flesh with seeds, grinded seeds, and singular seeds and then separated by SDS-PAGE. Matrix similarity and dendrogram was generated using Nei coefficient and Unweighted Pair Group Method with Arithmetic mean (UPGMA) algorithm. Based on protein patterns, Actinidia species were clearly distinguishable, whereas differences between hardy kiwi fruit cultivars were minor or nondetectable.The electrophoretical separations were able to distinguish a half of hardy kiwi fruit cultivars, so cluster analysis revealed a limited number of cultivar groups. Intervarietal polymorphism was low and this affected the results of similarity analysis. One distinct cluster, composed of two pairs of cultivars and identical by protein patterns, was obtained. Cultivars 'Ananasnaya' and 'Weiki,' according to the morphological description, were similar. Oppositely, 'M 1 ' cultivar significantly differed from other hardy kiwi cultivars by densitometrical bands intensity. All examined singular seeds of 'Ananasnaya' cultivar possessed identical protein patterns. The protein patterns of 'Bingo' and 'Ananasnaya' hardy kiwi fruits harvested in 2011 and 2013 were identical. Three weeks storage after harvest did not affect the protein composition of these cultivars. FT-IR and NMR spectrum of hardy kiwi fruits were presented and compared with 'Hayward' and 'Bidan' and showed slight differences in comparison with the protein profiles. SDS-PAGE is more applicable than FT-IR and NMR for comparison of different kiwi fruit cultivars. The used analytical methods can be applied to any food analysis in order to distinguish the main compounds and to present fingerprints of different cultivars.

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Section: Nmr Spectra Of Polyphenolsmentioning

confidence: 88%

Analytical Methods Applied to Characterization of Actinidia arguta, Actinidia deliciosa, and Actinidia eriantha Kiwi Fruit Cultivars

et al. 2015

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“…In this regard, linear discrimination analysis (LDA) classification models constructed and validated by employing a highly variable sample set were able to reliably detect the addition of relatively low‐priced juice (apple or grapefruit) as low as 150 mL L −1 of total volume into more expensive juice (orange) with 100% prediction . Also, the usefulness of the NMR‐based metabolic profiling was highlighted using some of the results regarding quality, adulteration, varieties and the geographical origin of fruits and fruit juices, such as kiwi, peach and blueberry . Improved detection of water addition in fruit juices is performed by the analysis of the isotopic ratios of oxygen ( 18 O/ 16 O) of ethanol derived from the sugars in orange juice using the preparation steps of the SNIF‐NMR method followed by IRMS .…”

Section: Authentication and Adulteration By Food Categorymentioning

confidence: 99%

“…103 Also, the usefulness of the NMR-based metabolic profiling was highlighted using some of the results regarding quality, adulteration, varieties and the geographical origin of fruits and fruit juices, such as kiwi, peach and blueberry. 104 Improved detection of water addition in fruit juices is performed by the analysis of the isotopic ratios of oxygen ( 18 O/ 16 O) of ethanol derived from the sugars in orange juice using the preparation steps of the SNIF-NMR method followed by IRMS. 105 Additionally, stable carbon isotope ratio analysis (SCIRA) can be used to identify adulterated juices because the ratio of 13 C to 12 C is different for the C 4 sugars in orange juice.…”

Section: Fruit Juicesmentioning

confidence: 99%

Modern analytical methods for the detection of food fraud and adulteration by food category

et al. 2017

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This review provides current information on the analytical methods used to identify food adulteration in the six most adulterated food categories: animal origin and seafood, oils and fats, beverages, spices and sweet foods (e.g. honey), grain-based food, and others (organic food and dietary supplements). The analytical techniques (both conventional and emerging) used to identify adulteration in these six food categories involve sensory, physicochemical, DNA-based, chromatographic and spectroscopic methods, and have been combined with chemometrics, making these techniques more convenient and effective for the analysis of a broad variety of food products. Despite recent advances, the need remains for suitably sensitive and widely applicable methodologies that encompass all the various aspects of food adulteration. © 2017 Society of Chemical Industry.

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“…In recent years, much NMR‐based metabolomics analysis has been performed on systems such as green coffee bean extracts, grapevine, and bovine milk . Besides, there are other reports in literature including principal component analysis to differentiate plants based on metabolomes including corn ( Zea mays L.) root tips, cannabis species, Strychnos species, and Ilex species, grape‐derived product, apple juice, and Brassica rapa …”

Section: Introductionmentioning

confidence: 99%

Identification of metabolites in coriander seeds (Coriandrum Sativum L.) aided by ultrahigh resolution total correlation NMR spectroscopy

Verma

Parihar

Baishya

2019

Magnetic Reson in Chemistry

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NMR is a fast method for obtaining a holistic snapshot of the metabolome and also offers quantitative information without separating the compounds present in a complex mixture. Identification of the metabolites present in a plant extract sample is a crucial step for all plant metabolomics studies. In the present work, we used various two dimensional (2D) NMR methods such as J‐resolved NMR, total correlation spectroscopy (TOCSY), and heteronuclear single quantum coherence sensitivity enhanced NMR spectroscopy for the identification of 36 common metabolites present in Coriandrum sativum L. seed extract. The identified metabolites belong to the following classes: organic acids, amino acids, and carbohydrates. 1H NMR spectra of such complex mixtures in general display tremendous signal overlap due to the presence of a large number of metabolites with closely resonating multiplet signals. This signal overlapping leads to ambiguity in an assignment, and hence, identification of metabolites becomes tedious or impossible in many cases. Therefore, the utility of pure‐shift proton spectrum along the indirect (F1) dimension of the F1‐PSYCHE‐TOCSY spectrum is demonstrated for overcoming ambiguity in assignment of metabolites in crowded spectral regions from Coriandrum sativum L. seed extract sample. Because pure‐shift NMR methods yield ultrahigh resolution spectrum (i.e., a singlet peak per chemical site) along one or more dimensions, such spectra provide better identification of metabolites compared with regular 2D TOCSY where signal overlap and peak distortions lead to ambiguity in the assignment. Nine metabolites were unambiguously assigned by pure‐shift F1‐PSYCHE‐TOCSY spectrum, which was unresolved in regular TOCSY spectrum.

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Untargeted NMR-Based Methodology in the Study of Fruit Metabolites

Cited by 52 publications

References 35 publications

Analytical Methods Applied to Characterization of Actinidia arguta, Actinidia deliciosa, and Actinidia eriantha Kiwi Fruit Cultivars

Analytical Methods Applied to Characterization of Actinidia arguta, Actinidia deliciosa, and Actinidia eriantha Kiwi Fruit Cultivars

Modern analytical methods for the detection of food fraud and adulteration by food category

Identification of metabolites in coriander seeds (Coriandrum Sativum L.) aided by ultrahigh resolution total correlation NMR spectroscopy

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