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Chromatographic Methods for Monitoring Food Safety and Quality

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

Deadline for manuscript submissions: 31 December 2024 | Viewed by 11054

Special Issue Editors


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Guest Editor
I.U. CINQUIMA, Analytical Chemistry Group, Faculty of Sciences, University of Valladolid, 47011 Valladolid, Spain
Interests: chromatography; separation science; food analysis; food safety; pharmaceutical analysis; environmental analysis; method development; method validation; food quality
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
I.U. CINQUIMA, Analytical Chemistry Group, Faculty of Sciences, University of Valladolid, Paseo de Belén 7, 471011 Valladolid, Spain
Interests: chromatography; separation science; food analysis; food safety; pharmaceutical analysis; environmental analysis; method development
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Food quality and safety are surely the most demanding aspects of today’s food industry. This sector has evolved in such a way that the quality controls we have today increasingly allow industries to know in detail the food they produce, and to guarantee its safety. These food requirements have been met thanks to the development of technology in the analysis instrumentation of quality and research laboratories. In particular, chromatography—probably the most-used analytical technique in the separation of individual compounds in foods and other matrices—is extensively applied in the characterization of bioactive compounds and aroma-related compounds in foods, and in the determination of food contaminants such as pesticides, veterinary drugs or antibiotics. This implies that the different chromatographic techniques, especially those related to liquid chromatography, gas chromatography and supercritical fluid chromatography, are very common techniques in food companies and food research centers. The progress made in chromatographic instrumentation has allowed specialist technicians to determine trace-level concentrations of compounds in different foods.

In this regard, this Special Issue on “Chromatographic Methods for Monitoring Food Safety and Quality” is a unique opportunity to gather papers describing the state of the art of chromatographic methods to control the safety and quality of foods. This topic involves scientific communities working in food authentication, food chemistry, and the analysis of contaminant residues in foods, and involves laboratories working on the revalorization and characterization of bioactive compounds from any food. Therefore, we welcome the submission of papers dealing with both chromatographic method development and with the application of chromatographic methods on food quality and safety, including raw materials.

Prof. Dr. José Bernal del Nozal
Dr. Ana M. Ares
Guest Editors

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Keywords

  • antibiotics
  • bioactive compounds
  • chromatography
  • contaminants
  • food chemistry
  • food authentication
  • food safety
  • food quality
  • food safety
  • method validation
  • microplastics
  • pesticides
  • veterinary drugs

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Published Papers (7 papers)

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Research

13 pages, 3256 KiB  
Article
The Use of Ultra-Fast Gas Chromatography for Fingerprinting-Based Classification of Zweigelt and Rondo Wines with Regard to Grape Variety and Type of Malolactic Fermentation Combined with Greenness and Practicality Assessment
by Anna Stój, Wojciech Wojnowski, Justyna Płotka-Wasylka, Tomasz Czernecki and Ireneusz Tomasz Kapusta
Molecules 2024, 29(19), 4667; https://doi.org/10.3390/molecules29194667 - 1 Oct 2024
Viewed by 572
Abstract
In food authentication, it is important to compare different analytical procedures and select the best method. The aim of this study was to determine the fingerprints of Zweigelt and Rondo wines through headspace analysis using ultra-fast gas chromatography (ultra-fast GC) and to compare [...] Read more.
In food authentication, it is important to compare different analytical procedures and select the best method. The aim of this study was to determine the fingerprints of Zweigelt and Rondo wines through headspace analysis using ultra-fast gas chromatography (ultra-fast GC) and to compare the effectiveness of this approach at classifying wines based on grape variety and type of malolactic fermentation (MLF) as well as its greenness and practicality with three other chromatographic methods such as headspace solid-phase microextraction/gas chromatography-mass spectrometry with carboxen-polydimethylosiloxane fiber (SPME/GC-MS with CAR/PDMS fiber), headspace solid-phase microextraction/gas chromatography-mass spectrometry with polyacrylate fiber (SPME/GC-MS with PA fiber), and ultra performance liquid chromatography–photodiode array detector-tandem mass spectrometry (UPLC-PDA-MS/MS). Principal Component Analysis (PCA) revealed that fingerprints obtained using all four chromatographic methods were suitable for classification using machine learning (ML). Random Forest (RF) and Support Vector Machines (SVM) yielded accuracies of at least 99% in the varietal classification of Zweigelt and Rondo wines and therefore proved suitable for robust fingerprinting-based Quality Assurance/Quality Control (QA/QC) procedures. In the case of wine classification by the type of MLF, the classifiers performed slightly worse, with the poorest accuracy of 91% for SVM and SPME/GC-MS with CAR/PDMS fiber, and no less than 93% for the other methods. Ultra-fast GC is the greenest and UPLC-PDA-MS/MS is the most practical of the four chromatographic methods. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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14 pages, 1247 KiB  
Article
Validation of an Analytical Method of 3′,4′,5-Trihydroxy-3-Methoxy-6,7-Methylenedioxyflavone 4′-Glucuronide for Standardization of Spinacia oleracea
by Yun Gon Son, Juyoung Jung, Dong Kun Lee, Sang Won Park, Jeong Yoon Kim and Hyun Joon Kim
Molecules 2024, 29(11), 2494; https://doi.org/10.3390/molecules29112494 - 24 May 2024
Viewed by 813
Abstract
Spinach (Spinacia oleracea) is one of the most famous vegetables worldwide, rich in essential metabolites for various health benefits. It is a valuable plant source that has the potential to be a nutraceutical. This study aimed to evaluate the single characteristic [...] Read more.
Spinach (Spinacia oleracea) is one of the most famous vegetables worldwide, rich in essential metabolites for various health benefits. It is a valuable plant source that has the potential to be a nutraceutical. This study aimed to evaluate the single characteristic marker compound to establish the validation of HPLC-DAD methods applied to the development of a nutraceutical using spinach samples. Six metabolites (16) were identified from the spinach samples such as freeze-dried spinach (FDS) and spinach extract concentrate (SEC) by LC-Q-TOF/MS analysis. Among the six metabolites, 3′,4′,5-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4′-glucuronide (TMG) was selected as a marker compound due to its highest abundance and high selectivity. The specificity, accuracy, linearity, precision, repeatability, limit of detection (LOD), and limit of quantification (LOQ) of TMG in the spinach samples (FDS and SEC) were validated according to AOAC international guideline. The specificity was confirmed by monitoring the well separation of the marker compound from other compounds of spinach samples in the base peak intensity (BPI) and ultraviolet (UV) chromatogram. The calibration curve of TMG (15.625~500 μg/mL) had reasonable linearity (R2 = 0.999) considered with LOD and LOQ values, respectively. Recovery rate of TMG was 93–101% for FDS and 90–95% for SEC. The precision was less than 3 and 6% in the intraday and interday. As a result, the HPLC-DAD validation method of TMG in the spinach samples (FDS and SEC) was first established with AOAC and KFDA regulations for approving functional ingredients in functional foods. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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13 pages, 1146 KiB  
Article
Simultaneous Analysis of 272 Pesticides in Agricultural Products by the QuEChERS Method and Gas Chromatography with Tandem Mass Spectrometry
by Da-Young Yun, Ji-Yeon Bae, Yoon-Jung Kang, Chae-Uk Lim, Gui-Hyun Jang, Mi-Ok Eom and Won-Jo Choe
Molecules 2024, 29(9), 2114; https://doi.org/10.3390/molecules29092114 - 3 May 2024
Viewed by 1035
Abstract
The aim of this study is to develop a rapid and accurate method for simultaneous analysis of multi-residue pesticides and conduct pesticide monitoring in agricultural products produced by the production and distribution stage in Korea. The representative agricultural products were selected as brown [...] Read more.
The aim of this study is to develop a rapid and accurate method for simultaneous analysis of multi-residue pesticides and conduct pesticide monitoring in agricultural products produced by the production and distribution stage in Korea. The representative agricultural products were selected as brown rice, soybean, potato, mandarin, and green pepper and developed using gas chromatography with tandem mass (GC-MS/MS) for the analysis of 272 pesticide residues. The experimental samples were extracted by the QuEChERS-EN method and then cleaned up by using d-SPE, including MgSO4 and primary secondary amine (PSA) sorbents. The established method was validated in accordance with Codex CAC-GL/40, and the limit of quantitation (LOQ) was determined to be 0.01 mg/kg. A total of 243 pesticides satisfied the guidelines in five samples at three levels with values of 60 to 120% (recovery) and ≤45% (coefficient of variation, CV). The remaining 29 pesticides did not satisfy the guidelines, and these pesticides are expected to be used as a screening method for the routine inspection of agricultural products. As a result of analyzing 223 agricultural products in South Korea by applying the simultaneous analysis method, none of the detected levels in the samples exceeded the standard values based on maximum residue limits (MRLs). The developed method in this study will be used to inspect residual pesticides in agricultural products, and it is anticipated to contribute to the distribution of safe agricultural products to consumers. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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14 pages, 1154 KiB  
Article
Simultaneous Determination of Pesticide Residues and Mycotoxins in Storage Pu-erh Tea Using Ultra-High-Performance Liquid Chromatography Coupled with Tandem Mass Spectrometry
by Siu Leung Chau, Aihua Zhao, Wei Jia and Lu Wang
Molecules 2023, 28(19), 6883; https://doi.org/10.3390/molecules28196883 - 30 Sep 2023
Cited by 2 | Viewed by 1351
Abstract
Mycotoxins and pesticides are the most concerning chemical contaminants that can affect the quality of Pu-erh tea during its production and storage. This study presents a method that can simultaneously determine 31 pesticide residues and six mycotoxins in Pu-erh tea within 11 min [...] Read more.
Mycotoxins and pesticides are the most concerning chemical contaminants that can affect the quality of Pu-erh tea during its production and storage. This study presents a method that can simultaneously determine 31 pesticide residues and six mycotoxins in Pu-erh tea within 11 min using ultra-high-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS) after QuEChERS extraction. The lower limit of quantification (LOQ) for all analytes ranged between 0.06 and 50 ppb. Recoveries for each pesticide and mycotoxin ranged between 62.0 and 130.3%, with intra- and inter-day precisions lower than 15%. Good linear relationships were obtained, with correlation coefficients of r2 > 0.991 for all analytes. The established method was applied to 31 Pu-erh tea samples, including raw and ripened Pu-erh tea with different storage times. As a result, pesticide residues were not detected in any of the collected samples, and the mycotoxins detected in the samples were well below the official maximum residue limits (MRLs). Notably, the levels of aflatoxin B1 (AFB1), aflatoxin G1 (AFG1) and aflatoxin G2 (AFG2) were lower than 1 ppb in the samples stored for more than 30 years. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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14 pages, 4383 KiB  
Article
Determination of Pentachlorophenol in Seafood Samples from Zhejiang Province Using Pass-Through SPE-UPLC-MS/MS: Occurrence and Human Dietary Exposure Risk
by Xiaoyang Yan, Qiaoling Zhao, Zhongyong Yan, Xuechang Chen, Pengfei He, Shiyan Li and Yi Fang
Molecules 2023, 28(17), 6394; https://doi.org/10.3390/molecules28176394 - 1 Sep 2023
Cited by 3 | Viewed by 1611
Abstract
Pentachlorophenol (PCP) has attracted wide attention due to its high toxicity, persistence, and bioaccumulation. In this study, a sensitive UPLC-MS/MS method for the determination of PCP in seafood samples was developed and validated. The samples were ultrasonic extracted with acetonitrile containing 1% acetic [...] Read more.
Pentachlorophenol (PCP) has attracted wide attention due to its high toxicity, persistence, and bioaccumulation. In this study, a sensitive UPLC-MS/MS method for the determination of PCP in seafood samples was developed and validated. The samples were ultrasonic extracted with acetonitrile containing 1% acetic acid-acetonitrile and followed by using a pass-through solid-phase extraction (SPE) cleanup on Captiva EMR-Lipid cartridges. The linearity of this method ranged from 1 to 1000 μg/L, with regression coefficients of >0.99. The detection limit and quantitation limit were 0.5 μg/kg and 1.0 μg/kg, respectively. The recoveries in different types of seafood samples ranged from 86.4% to 102.5%, and the intra-day and inter-day relative standard deviations (RSDs) were 3.7% to 11.2% and 2.9% to 12.1%, respectively (n = 6). Finally, the method has been successfully utilized for the screening of PCP in 760 seafood samples from Zhejiang Province. PCP was detected in 5.8% of all seafood samples, with the largest portion of detections found in shellfish, accounting for approximately 60% of the total. The average concentrations detected ranged from 1.08 to 21.49 μg/kg. The non-carcinogenic risk indices for adults and children who consume PCP ranged from 10−4 to 10−3 magnitudes. All of these indices stayed significantly below 1, implying that the health risk from PCP in marine organisms to humans is minimal. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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12 pages, 798 KiB  
Article
Headspace with Gas Chromatography-Mass Spectrometry for the Use of Volatile Organic Compound Profile in Botanical Origin Authentication of Honey
by Ana Castell, Natalia Arroyo-Manzanares, Yolanda Guerrero-Núñez, Natalia Campillo and Pilar Viñas
Molecules 2023, 28(11), 4297; https://doi.org/10.3390/molecules28114297 - 24 May 2023
Cited by 6 | Viewed by 2201
Abstract
The botanical origin of honey determines its composition and hence properties and product quality. As a highly valued food product worldwide, assurance of the authenticity of honey is required to prevent potential fraud. In this work, the characterisation of Spanish honeys from 11 [...] Read more.
The botanical origin of honey determines its composition and hence properties and product quality. As a highly valued food product worldwide, assurance of the authenticity of honey is required to prevent potential fraud. In this work, the characterisation of Spanish honeys from 11 different botanical origins was carried out by headspace gas chromatography coupled with mass spectrometry (HS-GC-MS). A total of 27 volatile compounds were monitored, including aldehydes, alcohols, ketones, carboxylic acids, esters and monoterpenes. Samples were grouped into five categories of botanical origins: rosemary, orange blossom, albaida, thousand flower and “others” (the remaining origins studied, due to the limitation of samples available). Method validation was performed based on linearity and limits of detection and quantification, allowing the quantification of 21 compounds in the different honeys studied. Furthermore, an orthogonal partial least squares-discriminant analysis (OPLS-DA) chemometric model allowed the classification of honey into the five established categories, achieving a 100% and 91.67% classification and validation success rate, respectively. The application of the proposed methodology was tested by analysing 16 honey samples of unknown floral origin, classifying 4 as orange blossom, 4 as thousand flower and 8 as belonging to other botanical origins. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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13 pages, 1156 KiB  
Article
Development and Validation of a Gas Chromatography-Mass Spectrometry Method for Determining Acaricides in Bee Pollen
by Adrián Fuente-Ballesteros, Camille Augé, José Bernal and Ana M. Ares
Molecules 2023, 28(6), 2497; https://doi.org/10.3390/molecules28062497 - 9 Mar 2023
Cited by 7 | Viewed by 2517
Abstract
Pesticides can be found in beehives for several reasons, including contamination from surrounding crops or for their use by beekeepers, which poses a risk to bee ecosystems and consumers. Therefore, efficient and sensitive methods are needed for determining pesticide residues in bee products. [...] Read more.
Pesticides can be found in beehives for several reasons, including contamination from surrounding crops or for their use by beekeepers, which poses a risk to bee ecosystems and consumers. Therefore, efficient and sensitive methods are needed for determining pesticide residues in bee products. In this study, a new analytical method has been developed and validated to determine seven acaricides (atrazine, chlorpyrifos, chlorfenvinphos, α-endosulfan, bromopropylate, coumaphos, and τ-fluvalinate) in bee pollen using gas chromatography coupled to mass spectrometry. After an optimization study, the best sample treatment was obtained when using a modified QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) method employing an ethyl acetate and cyclohexane as the extractant mixture, and a mixture of salts for the clean-up step. A chromatographic analysis (<21 min) was performed in an Agilent DB-5MS column, and it was operated under programmed temperature conditions. The method was fully validated in terms of selectivity, limits of detection (0.2–3.1 µg kg−1) and quantification (0.6–9.7 µg kg−1), linearity, matrix effect (<20% in all cases), trueness (recoveries between 80% and 108%), and precision. Finally, the proposed method was applied to analyze commercial bee pollen samples, and some of the target pesticides (chlorfenvinphos, α-endosulfan, coumaphos, and τ-fluvalinate) were detected. Full article
(This article belongs to the Special Issue Chromatographic Methods for Monitoring Food Safety and Quality)
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