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Molecules
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Application of Analytical Chemistry in Food Science
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Application of Analytical Chemistry in Food Science

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Food Chemistry".

Deadline for manuscript submissions: 31 March 2026 | Viewed by 4855

Special Issue Editors

Dr. Sabrina Moret

E-Mail Website
Guest Editor
Department of Agri-Food, Animal and Environmental Sciences, University of Udine, 33100 Udine, Italy
Interests: food chemistry; food contaminants; packaging migration; bioactive; sample preparation; coupled chromatographic techniques
Special Issues, Collections and Topics in MDPI journals
Dr. Laura Barp

E-Mail Website
Guest Editor
Department of Agri-Food, Animal and Environmental Sciences, University of Udine, 33100 Udine, Italy
Interests: food chemistry; food safety; food contaminants; sample preparation; multidimensional gas chromatography; mineral oil hydrocarbons; food authenticity; bioactive compounds
Special Issues, Collections and Topics in MDPI journals
Dr. José Pinela

E-Mail Website
Guest Editor
National Institute for Agricultural and Veterinary Research (INIAV), I.P., Rua dos Lágidos, Lugar da Madalena, Vairão, 4485-655 Vila do Conde, Portugal
Interests: food safety; foodborne contaminants; QuEChERS
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue on the “Application of Analytical Chemistry in Food Science” highlights the crucial role of advanced analytical methods in maintaining and improving food safety, quality, and authenticity. It emphasizes research that connects innovative analytical techniques with practical applications in food science. Key topics include the development and optimization of methods for detecting contaminants or food components of special interest (i.e., bioactive compounds), as well as studies on food authenticity and traceability, which are essential for combating food fraud, ensuring compliance with regulations, and building consumer trust. This Special Issue welcomes contributions that utilize cutting-edge techniques, including spectroscopy, chromatography, and advanced real-time monitoring tools. Additionally, it encourages research on the analysis of functional compounds, nutritional profiling, and process optimization. Particular attention is devoted to research focused on sustainability into food analysis, promoting the innovative use of byproducts from food industries, waste reduction, and alignment with circular economy principles. This comprehensive approach aims to inspire the development of practical, cost-effective, and scalable solutions that not only enhance food safety and quality but also contribute to environmental sustainability and resource efficiency in the food sector.

Dr. Sabrina Moret
Dr. Laura Barp
Dr. José Pinela
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. Molecules 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 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

  • analytical chemistry
  • food safety
  • food authenticity
  • food contaminants
  • spectroscopic methods
  • chromatographic techniques
  • advanced sample preparation
  • sustainability in food analysis

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Published Papers (5 papers)

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Research

18 pages, 1510 KB  
Article
Data Fusion Combining High-Resolution Mass Spectrometry and 1H-NMR Metabolomic Data with Gluten Protein Content to Assess the Impact of Agro-Sustainable Treatments on Durum Wheat
by Nicolò Riboni, Enmanuel Cruz Muñoz, Christina Muhs, Monica Mattarozzi, Marina Caldara, Sara Graziano, Christian Richter, Harald Schwalbe, Nelson Marmiroli, Davide Ballabio, Mariolina Gullì, Maria Careri and Federica Bianchi
Molecules 2026, 31(6), 922; https://doi.org/10.3390/molecules31060922 - 10 Mar 2026
Viewed by 261
Abstract
Sustainable food production systems based on the use of biofertilizers and soil improvers are proposed to mitigate agricultural-related environmental impacts and address the climate crisis. In particular, plant growth-promoting microbes (PGPM) and biochar (Char) have been reported to improve plant growth, soil quality, [...] Read more.
Sustainable food production systems based on the use of biofertilizers and soil improvers are proposed to mitigate agricultural-related environmental impacts and address the climate crisis. In particular, plant growth-promoting microbes (PGPM) and biochar (Char) have been reported to improve plant growth, soil quality, and crop yield; however, their effects on food quality remain debated. In this study, untargeted metabolomics based on ultra-high performance liquid chromatography–ion mobility–high-resolution mass spectrometry (UHPLC-IMS-HRMS) and proton nuclear magnetic resonance spectroscopy (1H-NMR) are proposed to achieve a comprehensive investigation of the effects of Char, PGPM and Char+PGPM on durum wheat. A total of 88 metabolites were annotated by UHPLC-IMS-HRMS, mainly belonging to carbohydrates, flavones, flavonoids, glycerophospholipids, and glycolipids, while 30 compounds were annotated by 1H-NMR, mostly amino acids and short-chain carboxylic acids. The two datasets were merged with the gluten protein content dataset by using low- and mid-level data fusion approaches, obtaining models that exhibit excellent classification performance. Integrated analysis highlighted that the combined Char+PGPM treatment induced metabolic changes across multiple chemical classes, including enrichment of flavonoids and lipids, and downregulation of carbohydrate metabolites, suggesting a redistribution of carbon resources and modulation of secondary metabolism with potential implications on wheat grain quality. Full article
(This article belongs to the Special Issue Application of Analytical Chemistry in Food Science)
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12 pages, 680 KB  
Article
Quantitative Analysis of Bisphenol A in Commercial Beverages
by Ana I. Freitas, Marta S. Ferreira and José C. Marques
Molecules 2026, 31(5), 805; https://doi.org/10.3390/molecules31050805 - 28 Feb 2026
Viewed by 284
Abstract
Bisphenol A (BPA) is a widely used synthetic compound and a well-known endocrine-disrupting chemical that has been linked to a range of health issues and poses significant public health concern. Despite efforts to regulate its use in food-contact materials, BPA remains a significant [...] Read more.
Bisphenol A (BPA) is a widely used synthetic compound and a well-known endocrine-disrupting chemical that has been linked to a range of health issues and poses significant public health concern. Despite efforts to regulate its use in food-contact materials, BPA remains a significant food contaminant due to its widespread use and its ability to leach into consumer products. Therefore, it is paramount to continue monitoring this contaminant in the food supply chain. This work aims to assess human exposure by investigating the presence of BPA in beverages, including iced teas, fruit juices, water, and carbonated drinks. The analysis by liquid chromatography coupled with fluorescence detection reveals BPA above the limit of quantification in about 30% of samples, with concentrations ranging from 0.15 to 0.94 ng/mL. The highest detection frequencies are observed in iced teas and canned beverages, while water and glass-bottled drinks have the lowest BPA detection frequencies. In the future, we aim to use the results from this study as a reference to optimize a chitosan-coated optical fiber sensor as a possible alternative for rapid BPA detection. A preliminary test showed that the sensor can discriminate between BPA concentrations of 10–100 µg/mL in a real food matrix. Full article
(This article belongs to the Special Issue Application of Analytical Chemistry in Food Science)
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14 pages, 7314 KB  
Article
Establishment of a QuEChERS-FaPEx Rapid Analytical Method for N-Nitrosamines in Meat Products
by Chun-Han Su, Peng-Wang Tan and Tsai-Hua Kao
Molecules 2026, 31(1), 32; https://doi.org/10.3390/molecules31010032 - 22 Dec 2025
Cited by 1 | Viewed by 552
Abstract
This study aimed to establish a fast and efficient method for the determination of N-nitrosamines (NAs) in meat products by integrating two sample preparation techniques—QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) and FaPEx (Fast Pesticide Extraction)—with liquid chromatography–tandem mass spectrometry (LC–MS/MS). [...] Read more.
This study aimed to establish a fast and efficient method for the determination of N-nitrosamines (NAs) in meat products by integrating two sample preparation techniques—QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) and FaPEx (Fast Pesticide Extraction)—with liquid chromatography–tandem mass spectrometry (LC–MS/MS). Chromatographic separation was performed on a Poroshell 120 Phenyl Hexyl column using a gradient elution of acetonitrile and 0.01% formic acid at a flow rate of 0.3 mL/min and a column temperature of 25 °C. Under these conditions, nine NAs and one internal standard were completely separated within 11 min with selective reaction monitoring mode (SRM) for detection. Samples were first extracted with QuEChERS powder using acetonitrile containing 0.1% formic acid, followed by purification with a FaPEx-Chl cartridge. This combined approach demonstrated superior performance compared with traditional solvent extraction or QuEChERS extraction alone. The recoveries of the developed method ranged from 76% to 111% and 52% to 103% at spiking levels of 50 ng/g and 20 ng/g, respectively. The limits of detection (LOD) and quantification (LOQ) were 0.002–0.3 ng/g and 0.006–1.00 ng/g, respectively. The inter-day and intra-day precisions (RSD%) ranged from 2.7% to 17% and 2.9% to 17%, respectively. These results indicate that the proposed method is among the most time-efficient and effective analytical approaches currently available for the determination of NAs in meat products. Full article
(This article belongs to the Special Issue Application of Analytical Chemistry in Food Science)
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21 pages, 1945 KB  
Article
Discovery of Species-Specific Peptide Markers for Superseed Authentication Using Targeted LC-MS/MS Proteomics
by Sorel Tchewonpi Sagu, Beatrice Schnepf, Peter Stenzel, Kapil Nichani, Alexander Erban, Joachim Kopka, Harshadrai M. Rawel and Andrea Henze
Molecules 2025, 30(14), 2993; https://doi.org/10.3390/molecules30142993 - 16 Jul 2025
Viewed by 1288
Abstract
The increasing popularity of “superseeds” such as flax, sesame, amaranth and quinoa as functional foods raises the need for robust analytical methods for authentication purposes. In this work, a standardized workflow for the extraction, characterization and identification of unique peptides that may be [...] Read more.
The increasing popularity of “superseeds” such as flax, sesame, amaranth and quinoa as functional foods raises the need for robust analytical methods for authentication purposes. In this work, a standardized workflow for the extraction, characterization and identification of unique peptides that may be used as markers to distinguish superseed species was investigated. Ammonium bicarbonate/urea (Ambi/urea) extraction, sodium dodecyl sulfate (SDS) buffer and trichloroacetic acid (TCA) precipitation were initially implemented and, based on the level and composition of the extracted proteins, the SDS buffer protocol was selected. Electrophoresis analysis revealed consistent protein profiles between biological replicates from each of the eleven seed species, confirming the reproducibility of the SDS buffer protocol. Targeted mass spectrometry successfully identified species-specific peptide markers for six of eleven superseeds investigated, including peptides from conlinins in flaxseed (WVQQAK), 11S globulins in sesame (LVYIER), oleosin in quinoa (DVGQTIESK), agglutin-like lectins in amaranth (CAGVSVIR), as well as cupin-like proteins in poppy seeds (INIVNSQK) and edestins in hemp seeds (FLQLSAER). Moreover, proteome cross-analysis allowed us to disqualify the isomeric peptide LTALEPTNR from 11S globulins present in amaranth and quinoa. However, no reliable markers were identified for chia, canihua, basil, black cumin, and psyllium seeds under current conditions. While this targeted proteomics approach shows promise for superseed authentication, comprehensive method validation and alternative strategies for marker-deficient species are required before routine implementation. Full article
(This article belongs to the Special Issue Application of Analytical Chemistry in Food Science)
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17 pages, 1981 KB  
Article
Physicochemical Properties, Polyphenol and Mineral Composition of Different Triticale Varieties Cultivated in the Republic of Moldova
by Georgiana Gabriela Codină, Florin Ursachi, Adriana Dabija, Sergiu Paiu, Iurie Rumeus, Svetlana Leatamborg, Galina Lupascu, Silviu-Gabriel Stroe and Aliona Ghendov-Mosanu
Molecules 2025, 30(6), 1233; https://doi.org/10.3390/molecules30061233 - 10 Mar 2025
Cited by 3 | Viewed by 1515
Abstract
The quality characteristics of seven triticale grain varieties were determined by different physiochemical analyses. For this purpose, the content of protein, wet gluten, fat, ash, moisture, carbohydrates, test weight, and thousand-kernel mass; mineral elements Ca, Na, Zn, Fe, and Cu; and total phenolic [...] Read more.
The quality characteristics of seven triticale grain varieties were determined by different physiochemical analyses. For this purpose, the content of protein, wet gluten, fat, ash, moisture, carbohydrates, test weight, and thousand-kernel mass; mineral elements Ca, Na, Zn, Fe, and Cu; and total phenolic content (TPC), total flavonoid content (TFC), free radical scavenging activity (DPPH assay), and phenolic profile (4-hydroxybenzoic acid, vanillic acid, caffeic acid, chlorogenic acid, p-coumaric acid, and rosmarinic acid) were analyzed. Also, Fourier transform infrared spectroscopy (FT-IR) was used to evaluate the quality parameters of triticale grains. According to the chemical data obtained, all triticale varieties may be used for breadmaking. A high variability was obtained among triticale varieties for mineral elements and antioxidant compounds. The highest values were recorded for Ca, followed by Fe, Na, Zn, and Cu. The TPC, TFC, DPPH, and phenolic compounds of the analyzed triticale samples increased with the increasing temperature used in the extraction method. Generally, the highest value for phenolic acid was obtained by p-coumaric acid followed by rosmarinic acid, caffeic acid, 4-hydroxybenzoic acid, vanillic acid, and chlorogenic acid. Principal component analysis of triticale cultivars related to their physicochemical data showed close association between some varieties such as Costel; Ingen 54, Ingen 35, Ingen 33, and Ingen 93, and Ingen 40; and Fanica varieties. Full article
(This article belongs to the Special Issue Application of Analytical Chemistry in Food Science)
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