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Foods
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Analytical and Chemometrics Techniques in Food Quality and Safety
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Analytical and Chemometrics Techniques in Food Quality and Safety

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

Deadline for manuscript submissions: closed (10 May 2026) | Viewed by 3862

Editors

Dr. Fabio De Souza Dias

E-Mail Website
Guest Editor
Instituto de Química, Universidade Federal da Bahia, Campus Universitário de Ondina, Salvador 40170-290, Brazil
Interests: food analysis; chemometric tools; analytical techniques
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Alini Tinoco Fricks

E-Mail Website
Guest Editor
Escola de Fámacia, Universidade Federal da Bahia, Campus Universitário de Ondina, Salvador 40170-290, Brazil
Interests: food composition; agro-industry waste; enzyme immolization

Special Issue Information

Dear Colleagues,

Analytical and chemometric tools in food science are linked to the application of advanced analytical techniques, including gas chromatography–mass spectrometry (GC MS), liquid chromatography with mass spectrometry (MS), diode array detection (DAD), capillary electrophoresis–mass spectrometry (CE MS), inductively coupled plasma (ICP), nuclear magnetic resonance spectroscopy (NMR), infrared spectroscopy (IR), Raman spectroscopy, and hyperspectral and digital imaging. These analytical techniques enable researchers to study the conditions of nutritional exposure conditions and understand food composition (macro, micronutrients, bioactive molecules, or contaminants) and the influence of this on the composition, quality and safety of food. Given the wide range of variables generated by these analytical techniques, the application of multivariate methods in food analytical chemistry studies is essential for various purposes. These methods facilitate a more comprehensive understanding of food chemistry and science by leveraging chemometric tools to ensure precise interpretation of the results.

In this Special Issue, we aim to provide thorough reviews of the latest advancements in the field of food analytical chemistry combined with chemometrics. These reviews will encompass a range of topics, including sampling, experimental design, data preprocessing, data projection and exploration methods, multi-way calibration and pattern recognition, as well as data fusion strategies and development of analytical methods applied to food analysis.

Dr. Fabio De Souza Dias
Prof. Dr. Alini Tinoco Fricks
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

  • analytical techniques
  • analysis of food and agro-industry waste
  • chemometric tools
  • food composition

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Published Papers (4 papers)

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Research

29 pages, 1514 KB  
Article
High-Intensity Ultrasound Processing of Passion Fruit Pulp: Effects on Physicochemical Properties, Microbiological Quality, Bioactive Compound Retention, and Ascorbate Oxidase Activity
by Lorena Santos de Almeida, Fernanda Ribeiro Pitta Teixeira, Camila de Almeida Moreira, Joselene Conceição Nunes Nascimento, Luciano Almeida de Albuquerque, Mariana Nougalli Roselino, Jaciene Lopes de Jesus Assis, Ronielli Cardoso Reis, Onildo Nunes de Jesus, Fabio de Souza Dias and Alini Tinoco Fricks
Foods 2026, 15(7), 1187; https://doi.org/10.3390/foods15071187 - 1 Apr 2026
Viewed by 597
Abstract
This study aimed to evaluate the effects of high-intensity ultrasound (40 W/5 min), applied with and without mild heating (59 °C and 23 °C), and of pasteurization (63 °C/30 min), on the physicochemical, rheological, and microbiological parameters, as well as on ascorbate oxidase [...] Read more.
This study aimed to evaluate the effects of high-intensity ultrasound (40 W/5 min), applied with and without mild heating (59 °C and 23 °C), and of pasteurization (63 °C/30 min), on the physicochemical, rheological, and microbiological parameters, as well as on ascorbate oxidase activity, total carotenoid content, phenolic compound profile, and antioxidant capacity of passion fruit (Passiflora edulis Sims.) pulps. Ultrasound processing induced changes in color (L*, a*, and b*), resulting in high ∆E values. Following ultrasound treatment, an increase in apparent viscosity at 100 s−1 was observed. Ultrasound also promoted partial inactivation of ascorbate oxidase and a significant reduction in mold and yeast counts. Moreover, the application of ultrasound without heating (US-20) promoted the retention of 55% of ascorbic acid after 63 days of storage. The condition with heating (US-60) led to an increase in catechin content in both bright red passion fruit pulp (173.96%) and yellow passion fruit pulp (5.89%), demonstrating a balance between the retention of bioactive compounds, microbial inactivation, and reduction in ascorbate oxidase activity. Therefore, these results highlight ultrasound as a non-thermal and sustainable technology capable of extending shelf life, maximizing the preservation of bioactive compounds, and enhancing the functional properties of fruit pulps. Full article
(This article belongs to the Special Issue Analytical and Chemometrics Techniques in Food Quality and Safety)
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14 pages, 2091 KB  
Article
A New Matrix Certified Reference Material for Measurement of Chlormequat Chloride and 2,4-Dichlorophenoxyacetic Acid Residues in Cucumber
by Ling Li, Qi Xu, Haochuan Shi, Mengrui Yang, Jingjing Yan, Jian Zhou, Fukai Li, Liang Li and Min Wang
Foods 2026, 15(5), 952; https://doi.org/10.3390/foods15050952 - 7 Mar 2026
Viewed by 537
Abstract
A novel cucumber pulp certified reference material (CRM) was prepared for the analysis of plant growth regulator residues, specifically chlormequat chloride (CCC) and 2,4-dichlorophenoxyacetic acid (2,4-D). The matrix CRM candidates were prepared by cucumber pulping, spiking, homogenizing and subpackaging. A reference method of [...] Read more.
A novel cucumber pulp certified reference material (CRM) was prepared for the analysis of plant growth regulator residues, specifically chlormequat chloride (CCC) and 2,4-dichlorophenoxyacetic acid (2,4-D). The matrix CRM candidates were prepared by cucumber pulping, spiking, homogenizing and subpackaging. A reference method of liquid chromatography tandem isotope dilution mass spectrometry (ID-LC-MS/MS) was established for simultaneous measurement of mass fractions of CCC and 2,4-D in cucumber pulp. Interlaboratory value assignment of CCC and 2,4-D in the cucumber pulp CRM was performed using the ID-LC-MS/MS method. The certified values with expanded uncertainties (coverage factor k = 2) were assigned to be 4.1 mg/kg ± 0.4 mg/kg for CCC, 2.0 mg/kg ± 0.2 mg/kg for 2,4-D. Homogeneity assessment was performed on fifteen randomly selected units, and statistical analysis confirmed the CRM’s homogeneity for both CCC and 2,4-D, both between and within packages. The long-term stability of the CRM at −20 °C storage condition and short-term stability at 30 °C were monitored for 14 months and nine days, respectively, and no significant trend differences were observed. The uncertainty contributions from characterization, homogeneity and stability were taken into account in uncertainty evaluation. The CRM was officially certified and registered under the number GBW(E)100932 by the State Administration for Market Regulation of the P. R. China. Full article
(This article belongs to the Special Issue Analytical and Chemometrics Techniques in Food Quality and Safety)
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18 pages, 2984 KB  
Article
Determining Irradiation Dose in Potato Tubers During Storage Using Reaction-Based Pattern Recognition Method
by Yana V. Zubritskaya, Anna V. Shik, Irina A. Stepanova, Sergey A. Zolotov, Polina Yu. Borshchegovskaya, Ulyana A. Bliznyuk, Irina A. Ananieva, Alexander P. Chernyaev, Igor A. Rodin and Mikhail K. Beklemishev
Foods 2025, 14(24), 4285; https://doi.org/10.3390/foods14244285 - 12 Dec 2025
Cited by 1 | Viewed by 657
Abstract
Food irradiation is increasingly used to extend shelf life and control pests and diseases. Monitoring post-treatment doses typically relies on expensive, laborious instruments and may miss low doses. We previously proposed a chemical fingerprinting method that estimates dose based on indicator reaction rates, [...] Read more.
Food irradiation is increasingly used to extend shelf life and control pests and diseases. Monitoring post-treatment doses typically relies on expensive, laborious instruments and may miss low doses. We previously proposed a chemical fingerprinting method that estimates dose based on indicator reaction rates, but this approach was tested only on freshly irradiated samples. In this study, we investigated the feasibility of determining the order of magnitude of dose in irradiated raw potato tubers after several days of storage. A completely randomized experimental design was used. Water extracts of potatoes were assayed in oxidation–reduction and aggregation reactions in 96-well plates; reaction rates were tracked by absorbance and fluorescence and analyzed chemometrically. We could distinguish dose orders of magnitude (0, 100, 1000 Gy) after 0, 2, and 6 days of storage at 4 °C. The accuracy of dose recognition on day 6 was at least 97% by using SoftMax regression (SR) or linear discriminant analysis (LDA); irradiated and non-irradiated samples were confidently distinguished using partial least square–discriminant analysis (PLS-DA). The reaction-based method of dose assessment is simple, rapid, and does not require sophisticated equipment. Full article
(This article belongs to the Special Issue Analytical and Chemometrics Techniques in Food Quality and Safety)
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21 pages, 1203 KB  
Article
Optimization of Calibration Strategies for the Quantification of Volatile Compounds in Virgin Olive Oil
by Enrique J. Díaz-Montaña, María Barbero-López, Ramón Aparicio-Ruiz, Diego L. García-González and María T. Morales
Foods 2025, 14(19), 3439; https://doi.org/10.3390/foods14193439 - 8 Oct 2025
Cited by 1 | Viewed by 1264
Abstract
The quantification of volatile compounds in virgin olive oil poses several analytical challenges due to the existence of different concentrations, chemical families, and the possible matrix effect. Accurate quantification, using adequate methodological calibration and statistical procedures, is essential for obtaining reliable results. The [...] Read more.
The quantification of volatile compounds in virgin olive oil poses several analytical challenges due to the existence of different concentrations, chemical families, and the possible matrix effect. Accurate quantification, using adequate methodological calibration and statistical procedures, is essential for obtaining reliable results. The aim of this work was to develop and validate an analytical–statistical approach for the quantification of volatile compounds in virgin olive oil. Therefore, several analytical parameters were determined for four calibrations. The ordinary least square (OLS) linear adjustment was selected over the weighted least square due to the homoscedasticity of the variable errors. Additionally, standard addition (AC) and AC with an internal standard (IS) exhibited greater variability, whereas external matrix-matched calibration (EC) was identified as the most reliable approach for quantifying volatile compounds in virgin olive oil. The employment of an IS did not improve the performance of the method in any case. Thus, based on the statistical results, the OLS linear adjustment with EC was selected as the best statistical–analytical approach for quantifying volatiles in olive oil matrices. The volatiles of nine virgin olive oil samples were quantified, applying different methodological calibrations, and no differences were detected, underscoring EC as a superior alternative. Full article
(This article belongs to the Special Issue Analytical and Chemometrics Techniques in Food Quality and Safety)
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