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Nuclear Magnetic Resonance in Food Analysis
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Nuclear Magnetic Resonance in Food Analysis

A special issue of Foods (ISSN 2304-8158). This special issue belongs to the section "Food Engineering and Technology".

Deadline for manuscript submissions: closed (28 February 2021) | Viewed by 13570

Special Issue Editors

Prof. Dr. Emmanuel Hatzakis

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Guest Editor
Department of Food Science and Technology, The Ohio State University, Columbus, USA
Interests: nuclear magnetic resonance spectroscopy; food analysis; metabolomics; bioactives
Prof. Dr. Prokopios Magiatis

E-Mail Website
Guest Editor
Department of Pharmacognosy and Chemistry of Natural Products, National and Kapodistrian University of Athens, Greece
Interests: nuclear magnetic resonance spectroscopy; chemical analysis; bioactive natural products; olive oil
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Foods are complex systems and their rapid and reliable analysis has a tremendous economic, societal and health impact. As a result, much effort has been expended in developing powerful analytical methods for the analysis and evaluation of food products. Nuclear Magnetic Resonance (NMR) is an emerging tool to analyse foods for their composition and physicochemical properties in a rapid and reliable manner. NMR is quantitative, highly reproducible and provides invaluable information for structural elucidation. Although high-field NMR instrumentation is generally expensive, in becomes cost-effective in the long term, while low-field NMR applications become more popular due to the lower economic cost and the user-friendly environment. This Special Issue welcomes original papers and review articles on the application of NMR in food analysis.

Prof. Emmanuel Hatzakis
Prof. Prokopios Magiatis
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Foods is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • NMR
  • Food analysis
  • Composition
  • Quantifications
  • Chemometrics

Published Papers (4 papers)

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Research

10 pages, 1245 KiB  
Article
Application of NMR and Chemometrics for the Profiling and Classification of Ale and Lager American Craft Beer
by Morgan Vasas, Fenfen Tang and Emmanuel Hatzakis
Foods 2021, 10(4), 807; https://0-doi-org.brum.beds.ac.uk/10.3390/foods10040807 - 9 Apr 2021
Cited by 9 | Viewed by 2980
Abstract
In this paper, Nuclear Magnetic Resonance spectroscopy (NMR)-based metabolomics were applied for the discrimination of ale and lager craft American beers. A modified pulse sequence that allows the efficient suppression of the water and ethanol peaks was used to achieve high-quality spectra with [...] Read more.
In this paper, Nuclear Magnetic Resonance spectroscopy (NMR)-based metabolomics were applied for the discrimination of ale and lager craft American beers. A modified pulse sequence that allows the efficient suppression of the water and ethanol peaks was used to achieve high-quality spectra with minimal sample preparation. The initial chemometrics analysis generated models of low predictive power, indicating the high variability in the groups. Due to this variability, we tested the effect of various data pretreatment and chemometrics approaches to improve the model’s performance. Spectral alignment was found to improve the classification significantly, while the type of normalization also played an important role. NMR combined with statistical and machine-learning techniques such as orthogonal projection to latent structures discriminant analysis (OPLS-DA) and random forest was able to discriminate between ale and lager beers, thus providing an important tool for the quality control and analysis of these products. Full article
(This article belongs to the Special Issue Nuclear Magnetic Resonance in Food Analysis)
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14 pages, 2959 KiB  
Article
Comparison of Physicochemical Properties and Metabolite Profiling Using 1H NMR Spectroscopy of Korean Wheat Malt
by Yang Soo Byeon, Dabeen Lee, Young-Shick Hong, Seung-Taik Lim, Sang Sook Kim and Han Sub Kwak
Foods 2020, 9(10), 1436; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9101436 - 11 Oct 2020
Cited by 6 | Viewed by 2510
Abstract
The objective of this study was to compare the physicochemical, enzymatic, and metabolic properties of two control wheat malts imported from Germany and the US to those of malts made from three Korean wheat varieties: Triticumaestivum L., var. Anzunbaengi, Jokyung, [...] Read more.
The objective of this study was to compare the physicochemical, enzymatic, and metabolic properties of two control wheat malts imported from Germany and the US to those of malts made from three Korean wheat varieties: Triticumaestivum L., var. Anzunbaengi, Jokyung, and Keumkang. The qualities and enzyme activities of the Korean wheat malts were generally similar to those of the control wheat malts. The Korean wheat malts had slightly lower diastatic power and enzyme activities related to saccharification. The analysis of metabolites in the wheat malt samples was performed using 1H nuclear magnetic resonance (NMR) metabolomics, which identified 32 metabolites that differed significantly among the samples. Most amino acids and lipids were more abundant in the Korean wheat malts than in the control wheat malts. These differences among malts could influence the quality and flavor of wheat beers. Further brewing studies are necessary to identify the association between beer quality and individual malt metabolites. Full article
(This article belongs to the Special Issue Nuclear Magnetic Resonance in Food Analysis)
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20 pages, 2665 KiB  
Article
Application of 1H Nuclear Magnetic Resonance Spectroscopy as Spirit Drinks Screener for Quality and Authenticity Control
by Jan C. Teipel, Thomas Hausler, Katharina Sommerfeld, Andreas Scharinger, Stephan G. Walch, Dirk W. Lachenmeier and Thomas Kuballa
Foods 2020, 9(10), 1355; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9101355 - 24 Sep 2020
Cited by 15 | Viewed by 3767
Abstract
Due to legal regulations, the rise of globalised (online) commerce and the need for public health protection, the analysis of spirit drinks (alcoholic beverages >15% vol) is a task with growing importance for governmental and commercial laboratories. In this article a newly developed [...] Read more.
Due to legal regulations, the rise of globalised (online) commerce and the need for public health protection, the analysis of spirit drinks (alcoholic beverages >15% vol) is a task with growing importance for governmental and commercial laboratories. In this article a newly developed method using nuclear magnetic resonance (NMR) spectroscopy for the simultaneous determination of 15 substances relevant to assessing the quality and authenticity of spirit drinks is described. The new method starts with a simple and rapid sample preparation and does not need an internal standard. For each sample, a group of 1H-NMR spectra is recorded, among them a two-dimensional spectrum for analyte identification and one-dimensional spectra with suppression of solvent signals for quantification. Using the Pulse Length Based Concentration Determination (PULCON) method, concentrations are calculated from curve fits of the characteristic signals for each analyte. The optimisation of the spectra, their evaluation and the transfer of the results are done fully automatically. Glucose, fructose, sucrose, acetic acid, citric acid, formic acid, ethyl acetate, ethyl lactate, acetaldehyde, methanol, n-propanol, isobutanol, isopentanol, 2-phenylethanol and 5-(hydroxymethyl)furfural (HMF) can be quantified with an overall accuracy better than 8%. This new NMR-based targeted quantification method enables the simultaneous and efficient quantification of relevant spirit drinks ingredients in their typical concentration ranges in one process with good accuracy. It has proven to be a reliable method for all kinds of spirit drinks in routine food control. Full article
(This article belongs to the Special Issue Nuclear Magnetic Resonance in Food Analysis)
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17 pages, 3874 KiB  
Communication
A Method for the Rapid Measurement of Alkylresorcinols in Flour, Bread and Related Products Based on 1H qNMR
by Athina Tsirivakou, Eleni Melliou and Prokopios Magiatis
Foods 2020, 9(8), 1025; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9081025 - 31 Jul 2020
Cited by 13 | Viewed by 3637
Abstract
The main objectives of the current work were to investigate differences among flours from traditionally preserved Greek varieties of cereals, and especially those of wheat, and in parallel, to correlate those potential differences with the presence of bioactive natural ingredients. In this context, [...] Read more.
The main objectives of the current work were to investigate differences among flours from traditionally preserved Greek varieties of cereals, and especially those of wheat, and in parallel, to correlate those potential differences with the presence of bioactive natural ingredients. In this context, we developed a new, fast, and simple method for the measurement of total 5-alkylresorcinols in cereals and related foods by qNMR. Several types of flour (white or whole-grain) coming from wheat, i.e., Triticum dicoccum, T. monococcum, T. aestivum, T. durum and T. turgidum, corn, barley, rye and oat from a certified producer in Greece were used either as raw materials or for the production of bread, pasta and flakes. A small portion of the flour or the corresponding product was extracted with DMSO-d6. The liquid part was directly analyzed by NMR (400 MHz). The simplicity of the NMR spectrum of the total extract and the lack of overlapping peaks permitted the development of a high throughput quantitative method for the measurement of total bioactive alkylresorcinols in less than 15 min. Grains, whole grain flours and breads from old varieties of T. dicoccum and T.monococcum showed high contents of alkylresorcinols (455–1148 mg/Kg), while the same compounds were completely absent from white flour and the corresponding bread. The term high-phenolic flour is proposed to distinguish among flour types. Full article
(This article belongs to the Special Issue Nuclear Magnetic Resonance in Food Analysis)
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