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Metabolites
Special Issues
Application of NMR in Food Metabolomics
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Application of NMR in Food Metabolomics

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Metabolomic Profiling Technology".

Deadline for manuscript submissions: 30 September 2025 | Viewed by 1155

Special Issue Editors

Dr. Charalambos Fotakis

E-Mail Website
Guest Editor
Institute of Chemical Biology, National Hellenic Research Foundation, 11635 Athens, Greece
Interests: food-omics; NMR spectroscopy; metabolomics; chemometrics; food authenticity; wine analysis; grape marc distillates; food traceability; antioxidant activity
Dr. Maria Zervou

E-Mail Website
Guest Editor
Institute of Chemical Biology, National Hellenic Research Foundation, 11635 Athens, Greece
Interests: NMR-based metabolomics; biomarker discovery, nutrimetabolomics, high throughput fingerprinting of natural products; in silico methods; bioNMR
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue in Metabolites is focused on the “Application of NMR in Food Metabolomics”. Food metabolomics constitutes an efficient approach to monitoring fluctuations in metabolites in food items in order to delineate molecular and biochemical mechanisms that underline acute metabolic changes in environmental stimuli.

Nuclear magnetic resonance (NMR) spectroscopy is one of the main analytical platforms used in metabolomics. In particular, NMR spectroscopy is an analytical, high-throughput, high-resolution technique that is rapidly improving in speed, quality, and cost and has proven to be an invaluable tool for the quality assurance of food items. The implementation of such a ‘‘holistic’’ method enables unbiased exploration and examination of a sample’s molecular biochemistry and, through suitable interpretation, it can be used to study metabolites’ responses to environmental changes. These advances in NMR metabolomics may facilitate the identification of key characteristics of food items and enable comprehensive profiling, thereby addressing geographical origin, authenticity, quality, and integrity issues.

Therefore, for this Special Issue, we invite research results and/or quality reviews on new challenges and new technological approaches related to the application of NMR in food metabolomics.

Dr. Charalambos Fotakis
Dr. Maria Zervou
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. Metabolites is an international peer-reviewed open access monthly 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 2700 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

  • food items
  • NMR
  • food metabolomics
  • quality assurance
  • geographical origin
  • authenticity

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Published Papers (1 paper)

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19 pages, 5211 KiB  
Article
1H-NMR Lipidomics, Comparing Fatty Acids and Lipids in Cow, Goat, Almond, Cashew, Soy, and Coconut Milk Using NMR and Mass Spectrometry
by Brianna Williams, Shamika P. W. R. Hewage, Denzel Alexander and Harshica Fernando
Metabolites 2025, 15(2), 110; https://doi.org/10.3390/metabo15020110 - 8 Feb 2025
Viewed by 802
Abstract
Background/Objectives: Lipids are an important component of human nutrition. Conventional milk is obtained from animals, and dairy milk is consumed by many people worldwide. Recently, milk consumers have been increasingly shifting towards plant-based milk options. The aim of the study was the qualitative [...] Read more.
Background/Objectives: Lipids are an important component of human nutrition. Conventional milk is obtained from animals, and dairy milk is consumed by many people worldwide. Recently, milk consumers have been increasingly shifting towards plant-based milk options. The aim of the study was the qualitative identification of lipid metabolites in animal- and plant-based milk, the identification and comparison of the fatty acids (FAs) of milk, and the qualitative identification of the lipid groups among the milk varieties. Methods: Milk samples were obtained from local grocery stores. Lipids were extracted using a modified Folch method and analyzed using nuclear magnetic resonance (NMR) metabolomics. Gas and liquid chromatography mass spectrometry methods (GC-MS and LC-MS) were used to identify the FAs and lipid groups. Lipid weights were compared and the NMR profiles of the lipids analyzed by multivariate statistical analysis. Principal component analysis was performed for the milk lipids obtained from the animal, and plant milk varieties. Results: Clustering of NMR data showed two main clusters: cow/almond/cashew and goat/soy/coconut. GC-MS analysis of the methylated fatty acids (FAs) showed the presence of 12:0, 14:0, 16:0, 16:1, 17:0, 18:0, 18:1, 18:2, 20:1, and 20:2 in all milk types, while FAs 19:0 and 20:4 were observed only in the dairy milk. LC-MS data showed common masses that may indicate the presence of mono- and diacyl glycerols and several lysophospholipids among the different types of milk. Conclusions: This study shows the advantage of using NMR, GC-MS, and LC-MS to differentiate the lipids among different milk types and compare them on one platform. Full article
(This article belongs to the Special Issue Application of NMR in Food Metabolomics)
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