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Innovative Applications of Metabolomics in Food Science
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Innovative Applications of Metabolomics in Food Science

A special issue of Foods (ISSN 2304-8158). This special issue belongs to the section "Foodomics".

Deadline for manuscript submissions: closed (28 September 2025) | Viewed by 5163

Special Issue Editors

Dr. Boban Anđelković

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Guest Editor
Faculty of Chemistry, University of Belgrade, Studentski trg 12–16, 11000 Belgrade, Serbia
Interests: metabolomics; NMR and FTIR spectroscopy; food analysis; photochemistry; mass spectrometry; antimicrobial; materials
Prof. Dr. Dejan Gođevac

E-Mail Website
Guest Editor
Institute of Chemistry, Technology and Metallurgy, National Institute of the Republic of Serbia, University of Belgrade, 11000 Belgrade, Serbia
Interests: metabolomics; NMR spectroscopy; food analysis; photochemistry; mass spectrometry; structural elucidation; chromatography
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Almost eight billion people live on Earth, and that number is constantly increasing, leading to an increasing food demand. In recent years, there has been a growing need in the food industry, and among consumers, for instruments that can ensure the quality and origin of meals. This includes confirming the composition of the food and detecting any instances of fraud or misrepresentation. Multivariate data analysis is a crucial technique for examining extensive and intricate datasets, and it is widely used in several scientific fields, including genomics, transcriptomics, proteomics, metabolomics, and lipidomics. Metabolomic studies provide valuable insights into enhancing nutritional and functional characteristics, preventing foodborne illnesses, and comprehending the impacts of processing and storage. Furthermore, the progress in computer science and information technology has led to continuous advancements in the metabolomic technologies used in this sector.

This Special Issue will focus on the latest breakthroughs in metabolomic technologies that have been developed for assessing agricultural goods and diets. The subjects that will be discussed include the use of metabolomic technology to assess and analyze agricultural goods and foods, as well as methodological progress in metabolomic analysis employing agricultural and food-related big data.

Dr. Boban Anđelković
Prof. Dr. Dejan Gođevac
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 250 words) can be sent to the Editorial Office for assessment.

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

  • multivariate data analysis
  • metabolomics
  • food quality control
  • nuclear magnetic resonance spectroscopy
  • FTIR spectroscopy
  • mass spectrometry
  • foodomics

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Published Papers (3 papers)

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Research

17 pages, 4206 KB  
Article
Aroma Profiling and Sensory Association of Six Raspberry Cultivars Using HS-SPME/GC-MS and OPLS-HDA
by Jovana Ljujić, Boban Anđelković, Ivana Sofrenić, Katarina Simić, Ljubodrag Vujisić, Nevena Batić, Stefan Ivanović and Dejan Gođevac
Foods 2025, 14(21), 3599; https://doi.org/10.3390/foods14213599 - 22 Oct 2025
Viewed by 1250
Abstract
In this study, six club raspberry varieties were examined for their aromatic profiles and sensory qualities, and statistical approaches were used to determine how aroma components affect consumer impressions. Analysis of the aroma’s chemical composition was performed utilizing headspace SPME and GC-MS. MS-DIAL [...] Read more.
In this study, six club raspberry varieties were examined for their aromatic profiles and sensory qualities, and statistical approaches were used to determine how aroma components affect consumer impressions. Analysis of the aroma’s chemical composition was performed utilizing headspace SPME and GC-MS. MS-DIAL -v5.5.250627 software was used to identify components from commercial libraries, after 10 repetitions for each variety, followed by manual verification. A sensory evaluation of fresh fruits, with 55 volunteers, was statistically analyzed and linked to chemical composition using multivariate analysis and the OPLS-HDA classification method, which was employed for the first time. Tula Magic was scored the highest in the sensory evaluation compared to Adelita, Himbo Top, Glen Dee, San Rafael, and Cascade Harvest. 2-Heptanol (fresh, lemongrass-like, herbal, floral, fruity, green), heptanal (fresh, aldehydic, fatty, green, herbal), and 2-methyl-6-hepten-1-ol (oily-green, herbaceous-citrusy) separated Tula Magic from the other varieties assessed. The same components were recognized in OPLS as positive contributors to the flavor score, while terpenoids like trans-β-ionone, α-ionone, and α,β-dihydro-β-ionone, as well as 2-heptanone, scored slightly lower. This suggests that a fine balance between the individual components is key to the overall aroma sensation. Full article
(This article belongs to the Special Issue Innovative Applications of Metabolomics in Food Science)
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17 pages, 10858 KB  
Article
Comprehensive Characterization of Metabolites in Multiplier Onion Bulbs and Identification of Regulatory Genes for Nutritional Improvement
by Huixia Jia, Jiangping Song, Tingting Zhang, Yumin Tan, Mengzhen Wang, Jiyan Zang, Xiaohui Zhang, Wenlong Yang, Yanhui Pang, Yanfei Yang and Haiping Wang
Foods 2025, 14(19), 3290; https://doi.org/10.3390/foods14193290 - 23 Sep 2025
Cited by 2 | Viewed by 1253
Abstract
Multiplier onion (Allium cepa var. aggregatum) is an economically important Allium crop that serves dual purposes as both a culinary ingredient and medicinal resource. Despite its widespread utilization, systematic characterization of its nutrient metabolism components remains limited, which has constrained the [...] Read more.
Multiplier onion (Allium cepa var. aggregatum) is an economically important Allium crop that serves dual purposes as both a culinary ingredient and medicinal resource. Despite its widespread utilization, systematic characterization of its nutrient metabolism components remains limited, which has constrained the development of high-value cultivars with optimized nutritional profiles. In this study, we conducted a comprehensive metabolomic profiling of bulbs from five genetically distinct accessions using a widely targeted metabolomic method based on ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS). The analysis identified 659 metabolites, including lipids, flavonoids, phenolic acids, amino acids, saccharides and alcohols, organic acids, alkaloids, nucleotides and derivatives, vitamins, etc. Notably, the bulbs exhibited a high abundance of flavonoids (e.g., quercetin, kaempferol, naringenin, isorhamnetin) and eight essential amino acids (valine, threonine, leucine, isoleucine, lysine, methionine, histidine, and tryptophan). Comparative analysis revealed that 366 differentially accumulated metabolites were identified among these 5 accessions, many of which were significantly enriched in pathways related to flavonoid biosynthesis, as well as amino acid biosynthesis and metabolism. Transcriptome analysis indicated that differentially expressed genes (DEGs) across the five accessions were significantly enriched flavonoid biosynthesis, and various amino acid biosynthesis and metabolism processes, such as “tyrosine metabolism”, “phenylalanine, tyrosine, and tryptophan biosynthesis”, “cysteine and methionine metabolism” and “arginine and proline metabolism”, being consistent with the substantial variations observed in flavonoids, amino acids, and their derivatives in the metabolome analysis. Correlation and network analysis identified several crucial candidate regulatory genes for the biosynthesis and metabolism of lipids, flavonoids, phenolic acids, and amino acids. These findings provide a comprehensive metabolic atlas of multiplier onion, reveal key genetic regulators of nutritional quality, and establish a scientific foundation for nutraceutical development and cultivar improvement strategies. Full article
(This article belongs to the Special Issue Innovative Applications of Metabolomics in Food Science)
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26 pages, 8244 KB  
Article
Exploring the Effects of Nitrogen and Potassium on the Aromatic Characteristics of Ginseng Roots Using Non-Targeted Metabolomics Based on GC-MS and Multivariate Analysis
by Weiyu Cao, Hai Sun, Cai Shao, Hongjie Long, Yanmei Cui, Changwei Sun and Yayu Zhang
Foods 2025, 14(17), 2981; https://doi.org/10.3390/foods14172981 - 26 Aug 2025
Cited by 4 | Viewed by 1773
Abstract
This study investigated individual/combined nitrogen (N) and potassium (K) deficiencies on ginseng root aroma using GC–MS metabolomics. Four treatments (normal supply, N deficiency (LN), K deficiency (LK), and dual deficiency (LNLK)) were analyzed. Deficiencies impaired growth, mineral accumulation, and induced oxidative stress, suppressing [...] Read more.
This study investigated individual/combined nitrogen (N) and potassium (K) deficiencies on ginseng root aroma using GC–MS metabolomics. Four treatments (normal supply, N deficiency (LN), K deficiency (LK), and dual deficiency (LNLK)) were analyzed. Deficiencies impaired growth, mineral accumulation, and induced oxidative stress, suppressing ginsenoside biosynthesis. From 1768 detected VOCs, 304 compounds (rOAV ≥ 1) significantly contributed to aroma. LN inhibited terpenoids (e.g., isoborneol) but upregulated sulfur compounds (e.g., di-2-propenyl tetrasulfide), intensifying pungency. LK enhanced sweet/woody notes (e.g., 2′-acetonaphthone) via flavonoid biosynthesis and toluene degradation. LNLK reduced esters (e.g., benzyl acetate) and terpenes, attenuating floral–balsamic nuances by coordinating aromatic degradation, glutathione metabolism, and ABC transporters. N–K nutrition dynamically shapes ginseng aroma by differentially regulating phenylpropanoid, terpenoid, and sulfur pathways, providing a foundation for precision fertilization and quality improvement. Full article
(This article belongs to the Special Issue Innovative Applications of Metabolomics in Food Science)
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