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Application of Qualitative Spectroscopy and Chemometrics in Food Traceability and Authenticity

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

Deadline for manuscript submissions: closed (30 June 2021) | Viewed by 28021

Special Issue Editors


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Guest Editor
Department of Food and Drug, University of Parma, Parma, Italy
Interests: food hygiene; food safety, chemical contamination; One Health approach
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573 HB/D, CZ-532 10 Pardubice, Czech Republic
Interests: atomic spectroscopy; food component analysis; trace elements; sample preparation; chemometrics

Special Issue Information

Dear Colleagues,

Food market globalization, food security, as well as increasing consumer demand for safe, minimally processed, and wholesome food impose the need to establish new approaches to identify and assess food quality markers. Notwithstanding a great number of state-of-the-art analytical tools available for food quality fingerprinting, their use, in most cases, results in a highly complex and large dataset. In this context, qualitative spectroscopy and chemometrics tools are commonly implemented as part of food quality assessment.

For this Special Issue, we invite authors to submit cutting edge innovative research papers or review papers on the application of qualitative spectroscopy and chemometrics to characterize or manage the quality of foods. Application-oriented papers related to using qualitative spectroscopy and chemometrics in different fields are also very welcome.

Prof. Emanuela Zanardi
Prof. Lenka Husáková
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. 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

  • food quality and authenticity control
  • food authenticity and fraud
  • chemometric methods
  • spectroscopy in food authentication
  • methods of food profiling
  • food traceability
  • quality control methods
  • analytical testing
  • fingerprint techniques
  • multivariate data analysis
  • multivariate compositional analysis
  • explorative data analysis
  • advances in food authenticity testing
  • data fusion

Published Papers (8 papers)

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Research

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11 pages, 2771 KiB  
Article
Development of a Novel Ultrasonic Spectroscopy Method for Estimation of Viscosity Change during Milk Clotting
by István Kertész, Dávid Nagy, László Baranyai, Klára Pásztor-Huszár, Kinga Varsányi, Lien Le Phuong Nguyen and József Felföldi
Molecules 2021, 26(19), 5906; https://doi.org/10.3390/molecules26195906 - 29 Sep 2021
Cited by 1 | Viewed by 1433
Abstract
Ultrasonic testing is an emerging non-destructive testing technology with high repeatability and precision. Milk is a very complex liquid and the change of its viscosity is a highly relevant property throughout conversion into other dairy products. In the following paper, we propose a [...] Read more.
Ultrasonic testing is an emerging non-destructive testing technology with high repeatability and precision. Milk is a very complex liquid and the change of its viscosity is a highly relevant property throughout conversion into other dairy products. In the following paper, we propose a novel method for the monitoring of viscosity during enzymatic milk clotting by ultrasonic spectroscopy. An ultrasonic transducer–receiver couple with a 250 kHz nominal frequency was submerged in the samples and an enveloped sweep (“chirp”) signal was applied in a through-transmission mode. Simultaneously, the change in viscosity was measured with a rotational viscometer at a constant shearing speed. The data were analyzed with an algorithm developed by the authors for spectral ultrasonic testing. Estimations yielded a high adjusted R2 (0.963–0.998) and low cross-validated estimation error (RPD: 4.38–14.22), suggesting that the method is suitable for industrial use given the right instrumentation. Full article
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10 pages, 2259 KiB  
Article
Development of a Novel Acoustic Spectroscopy Method for Detection of Eggshell Cracks
by István Kertész, Viktória Zsom-Muha, Rebeka András, Ferenc Horváth, Csaba Németh and József Felföldi
Molecules 2021, 26(15), 4693; https://doi.org/10.3390/molecules26154693 - 03 Aug 2021
Cited by 11 | Viewed by 2039
Abstract
Non-destructive testing (NDT) for eggshell faults is highly important for the egg industry, as cracked eggs account for around 3% of total production. The most commonly used method at present, candling, is labor intensive, while computer vision systems are expensive and complicated. In [...] Read more.
Non-destructive testing (NDT) for eggshell faults is highly important for the egg industry, as cracked eggs account for around 3% of total production. The most commonly used method at present, candling, is labor intensive, while computer vision systems are expensive and complicated. In this paper, we present a simple, yet efficient, novel method for eggshell crack detection by acoustic spectroscopy. Altogether, 693 sound recordings were evaluated by different classification methods. The results show a cross-validated 2.1% total classification error, with only 0.87% false positive rate, which is the crucial metric for fresh eggs. Adapting the developed method to an industrial setting may lead to a reliable, fast and cost-effective detection method. Full article
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20 pages, 3245 KiB  
Article
Varietal and Geographical Origin Characterization of Peaches and Nectarines by Combining Analytical Techniques and Statistical Approach
by Gabriella Tamasi, Claudia Bonechi, Gemma Leone, Marco Andreassi, Marco Consumi, Paola Sangiorgio, Alessandra Verardi, Claudio Rossi and Agnese Magnani
Molecules 2021, 26(14), 4128; https://doi.org/10.3390/molecules26144128 - 07 Jul 2021
Cited by 5 | Viewed by 2306
Abstract
Prunus persica L. is one of the most important fruit crops in European production, after grapes, apples, oranges and watermelons. Most varieties are rich in secondary metabolites, showing antioxidant properties for human health. The purpose of this study was to develop a chemical [...] Read more.
Prunus persica L. is one of the most important fruit crops in European production, after grapes, apples, oranges and watermelons. Most varieties are rich in secondary metabolites, showing antioxidant properties for human health. The purpose of this study was to develop a chemical analysis methodology, which involves the use of different analytical-instrumental techniques to deepen the knowledge related to the profile of metabolites present in selected cultivars of peaches and nectarines cultivated in the Mediterranean area (Southern Italy). The comparative study was conducted by choosing yellow-fleshed peaches (RomeStar, ZeeLady) and yellow-fleshed nectarines (Nectaross, Venus) from two geographical areas (Piana di Sibari and Piana di Metaponto), and by determining the chemical parameters for the flesh and skin that allow for identification of any distinctive varietal and/or geographical characteristics. A combined analytical and chemometric approach was used, trough rheological, thermogravimetric (TGA), chromatographic (HPLC-ESI-MS), spectroscopic (UV-Vis, ATR-FTIR, NMR) and spectrometric (ToF-SIMS) analysis. This approach allowed us to identify the characterizing parameters for the analysis of a plant matrix so that the developed methodology could define an easily exportable and extendable model for the characterization of other types of vegetable matrices. Full article
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12 pages, 6210 KiB  
Article
Software-Assisted Pattern Recognition of Persistent Organic Pollutants in Contaminated Human and Animal Food
by Wenjing Guo, Jeffrey Archer, Morgan Moore, Sina Shojaee, Wen Zou, Weigong Ge, Linda Benjamin, Anthony Adeuya, Russell Fairchild and Huixiao Hong
Molecules 2021, 26(3), 685; https://doi.org/10.3390/molecules26030685 - 28 Jan 2021
Cited by 2 | Viewed by 1785
Abstract
Persistent Organic Pollutants (POPs) are a serious food safety concern due to their persistence and toxic effects. To promote food safety and protect human health, it is important to understand the sources of POPs and how to minimize human exposure to these contaminants. [...] Read more.
Persistent Organic Pollutants (POPs) are a serious food safety concern due to their persistence and toxic effects. To promote food safety and protect human health, it is important to understand the sources of POPs and how to minimize human exposure to these contaminants. The POPs Program within the U.S. Food and Drug Administration (FDA), manually evaluates congener patterns of POPs-contaminated samples and sometimes compares the finding to other previously analyzed samples with similar patterns. This manual comparison is time consuming and solely depends on human expertise. To improve the efficiency of this evaluation, we developed software to assist in identifying potential sources of POPs contamination by detecting similarities between the congener patterns of a contaminated sample and potential environmental source samples. Similarity scores were computed and used to rank potential source samples. The software has been tested on a diverse set of incurred samples by comparing results from the software with those from human experts. We demonstrated that the software provides results consistent with human expert observation. This software also provided the advantage of reliably evaluating an increased sample lot which increased overall efficiency. Full article
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15 pages, 2788 KiB  
Article
Detecting Low Concentrations of Nitrogen-Based Adulterants in Whey Protein Powder Using Benchtop and Handheld NIR Spectrometers and the Feasibility of Scanning through Plastic Bag
by John-Lewis Zinia Zaukuu, Balkis Aouadi, Mátyás Lukács, Zsanett Bodor, Flóra Vitális, Biborka Gillay, Zoltan Gillay, László Friedrich and Zoltan Kovacs
Molecules 2020, 25(11), 2522; https://doi.org/10.3390/molecules25112522 - 28 May 2020
Cited by 23 | Viewed by 3689
Abstract
Nitrogen-rich adulterants in protein powders present sensitivity challenges to conventional combustion methods of protein determination which can be overcome by near Infrared spectroscopy (NIRS). NIRS is a rapid analytical method with high sensitivity and non-invasive advantages. This study developed robust models using benchtop [...] Read more.
Nitrogen-rich adulterants in protein powders present sensitivity challenges to conventional combustion methods of protein determination which can be overcome by near Infrared spectroscopy (NIRS). NIRS is a rapid analytical method with high sensitivity and non-invasive advantages. This study developed robust models using benchtop and handheld spectrometers to predict low concentrations of urea, glycine, taurine, and melamine in whey protein powder (WPP). Effectiveness of scanning samples through optical glass and polyethylene bags was also tested for the handheld NIRS. WPP was adulterated up to six concentration levels from 0.5% to 3% w/w. The two spectrometers were used to obtain three datasets of 819 diffuse reflectance spectra each that were pretreated before linear discriminant analysis (LDA) and regression (PLSR). Pretreatment was effective and revealed important absorption bands that could be correlated with the chemical properties of the mixtures. Benchtop NIR spectrometer showed the best results in LDA and PLSR but handheld NIR spectrometers showed comparatively good results. There were high prediction accuracies and low errors attesting to the robustness of the developed PLSR models using independent test set validation. Both the plastic bag and optical glass gave good results with accuracies depending on the adulterant of interest and can be used for field applications. Full article
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13 pages, 2645 KiB  
Article
Geographical Classification of Italian Saffron (Crocus sativus L.) by Multi-Block Treatments of UV-Vis and IR Spectroscopic Data
by Alessandra Biancolillo, Martina Foschi and Angelo Antonio D’Archivio
Molecules 2020, 25(10), 2332; https://doi.org/10.3390/molecules25102332 - 16 May 2020
Cited by 14 | Viewed by 2795
Abstract
One-hundred and fourteen samples of saffron harvested in four different Italian areas (three in Central Italy and one in the South) were investigated by IR and UV-Vis spectroscopies. Two different multi-block strategies, Sequential and Orthogonalized Partial Least Squares Linear Discriminant Analysis (SO-PLS-LDA) and [...] Read more.
One-hundred and fourteen samples of saffron harvested in four different Italian areas (three in Central Italy and one in the South) were investigated by IR and UV-Vis spectroscopies. Two different multi-block strategies, Sequential and Orthogonalized Partial Least Squares Linear Discriminant Analysis (SO-PLS-LDA) and Sequential and Orthogonalized Covariance Selection Linear Discriminant Analysis (SO-CovSel-LDA), were used to simultaneously handle the two data blocks and classify samples according to their geographical origin. Both multi-block approaches provided very satisfying results. Each model was investigated in order to understand which spectral variables contribute the most to the discrimination of samples, i.e., to the characterization of saffron harvested in the four different areas. The most accurate solution was provided by SO-PLS-LDA, which only misclassified three test samples over 31 (in external validation). Full article
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Review

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28 pages, 380 KiB  
Review
The Application of NMR Spectroscopy and Chemometrics in Authentication of Spices
by Barbara Pacholczyk-Sienicka, Grzegorz Ciepielowski and Łukasz Albrecht
Molecules 2021, 26(2), 382; https://doi.org/10.3390/molecules26020382 - 13 Jan 2021
Cited by 14 | Viewed by 3913
Abstract
Spices and herbs are among the most commonly adulterated food types. This is because spices are widely used to process food. Spices not only enhance the flavor and taste of food, but they are also sources of numerous bioactive compounds that are significantly [...] Read more.
Spices and herbs are among the most commonly adulterated food types. This is because spices are widely used to process food. Spices not only enhance the flavor and taste of food, but they are also sources of numerous bioactive compounds that are significantly beneficial for health. The healing effects of spices are connected with their antimicrobial, anti-inflammatory and carminative properties. However, regular consumption of adulterated spices may cause fatal damage to our system because adulterants in most cases are unhealthy. For that reason, the appropriate analytical methods are necessary for quality assurance and to ensure the authenticity of spices. Spectroscopic methods are gaining interest as they are fast, require little or no sample preparation, and provide rich structural information. This review provides an overview of the application of NMR spectroscopy combined with chemometric analysis to determine the quality and adulteration of spices. Full article
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26 pages, 1666 KiB  
Review
Sustainable Palm Oil—The Role of Screening and Advanced Analytical Techniques for Geographical Traceability and Authenticity Verification
by Umi Salamah Ramli, Noor Idayu Tahir, Nurul Liyana Rozali, Abrizah Othman, Nor Hayati Muhammad, Syahidah Akmal Muhammad, Azmil Haizam Ahmad Tarmizi, Norfadilah Hashim, Ravigadevi Sambanthamurthi, Rajinder Singh, Mohamad Arif Abd Manaf and Ghulam Kadir Ahmad Parveez
Molecules 2020, 25(12), 2927; https://doi.org/10.3390/molecules25122927 - 25 Jun 2020
Cited by 9 | Viewed by 9201
Abstract
Palm oil production from oil palm (Elaeis guineensis Jacq.) is vital for the economy of Malaysia. As of late, sustainable production of palm oil has been a key focus due to demand by consumer groups, and important progress has been made in [...] Read more.
Palm oil production from oil palm (Elaeis guineensis Jacq.) is vital for the economy of Malaysia. As of late, sustainable production of palm oil has been a key focus due to demand by consumer groups, and important progress has been made in establishing standards that promote good agricultural practices that minimize impact on the environment. In line with the industrial goal to build a traceable supply chain, several measures have been implemented to ensure that traceability can be monitored. Although the palm oil supply chain can be highly complex, and achieving full traceability is not an easy task, the industry has to be proactive in developing improved systems that support the existing methods, which rely on recorded information in the supply chain. The Malaysian Palm Oil Board (MPOB) as the custodian of the palm oil industry in Malaysia has taken the initiative to assess and develop technologies that can ensure authenticity and traceability of palm oil in the major supply chains from the point of harvesting all the way to key downstream applications. This review describes the underlying framework related to palm oil geographical traceability using various state-of-the-art analytical techniques, which are also being explored to address adulteration in the global palm oil supply chain. Full article
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