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Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics

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

Deadline for manuscript submissions: closed (30 April 2020) | Viewed by 42087

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Special Issue Editor

Dr. Ioannis K. Karabagias

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Department of Food Science & Technology, University of Patras, G. Seferi 2, 30100 Agrinio, Greece
Interests: food chemistry; food analysis; food authentication; food technology; food packaging; nutritional aspects of foods; fermented products; natural antioxidants
Special Issues, Collections and Topics in MDPI journals

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Dear Colleagues,

Given the continuous consumer demand for products of high quality and specific origin, there is a tendency for the application of multiple instrumental techniques for the complete characterization of foodstuffs.

Spectrometric techniques usually offer a full and rapid screenshot of products’ composition and properties by the determination of specific bio-molecules such as sugars, minerals, polyphenols, volatile compounds, amino acids, organic acids, etc.

The present Special Issue aims firstly to enhance the advances of spectrometric techniques such as gas chromatography coupled to mass spectrometry (GC-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), isotope ratio mass spectrometry (IRMS), nuclear magnetic resonance (NMR), Raman spectroscopy, etc., in the analysis of foodstuffs such as meat, milk, cheese, potatoes, vegetables, fruits/fruit juices, honey, olive oil, chocolate, or any other beloved product of domestic or international origin.

Secondly, an additional aim is to fill the gap between food composition/food properties and food authenticity, using supervised and non-supervised chemometrics.

Dr. Ioannis K. Karabagias
Guest Editor

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. 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

Spectrometry
Food analysis
Food origin
Food authentication
Chemometrics
Food identity
Food metrics

Published Papers (10 papers)

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Editorial

Jump to: Research

4 pages, 187 KiB

Open AccessEditorial

Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics

by Ioannis K. Karabagias

Foods 2020, 9(11), 1550; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9111550 - 27 Oct 2020

Cited by 13 | Viewed by 2762

Abstract

Given the continuous consumer demand for products of high quality and specific origin, there is a great tendency for the application of multiple instrumental techniques for the complete characterization of foodstuffs or related natural products. Spectrometric techniques usually offer a full and rapid screenshot of products’ composition and properties by the determination of specific bio-molecules such as sugars, minerals, polyphenols, volatile compounds, amino acids, organic acids, etc. The present special issue aimed firstly to enhance the advances of the application of spectrometric techniques such as gas chromatography coupled to mass spectrometry (GC-MS), inductively coupled plasma optical emission spectrometry (ICP-OES), isotope ratio mass spectrometry (IRMS), nuclear magnetic resonance (NMR), Raman spectroscopy, or any other spectrometric technique, in the analysis of foodstuffs such as meat, milk, cheese, potatoes, vegetables, fruits/fruit juices, honey, olive oil, chocolate, and other natural products. An additional goal was to fill the gap between food composition/food properties/natural products properties and food/natural products authenticity, using supervised and non-supervised chemometrics. Of the 18 submitted articles, nine were eventually published, providing new information to the field. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

Research

Jump to: Editorial

16 pages, 2771 KiB

Open AccessArticle

Pleurotus Mushrooms Content in Glucans and Ergosterol Assessed by ATR-FTIR Spectroscopy and Multivariate Analysis

by Georgios Bekiaris, Dimitra Tagkouli, Georgios Koutrotsios, Nick Kalogeropoulos and Georgios I. Zervakis

Foods 2020, 9(4), 535; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9040535 - 24 Apr 2020

Cited by 51 | Viewed by 5981

Abstract

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy was used to monitor the infrared absorption spectra of 79 mushroom samples from 29 Pleurotus ostreatus, P. eryngii and P. nebrodensis strains cultivated on wheat straw, grape marc and/or by-products of the olive industry. The spectroscopic analysis provided a chemical insight into the mushrooms examined, while qualitative and quantitative differences in regions related to proteins, phenolic compounds and polysaccharides were revealed among the species and substrates studied. Moreover, by using advanced chemometrics, correlations of the recorded mushrooms’ spectra versus their content in glucans and ergosterol, commonly determined through traditional analytical techniques, allowed the development of models predicting such contents with a good predictive power (R²: 0.80–0.84) and accuracy (low root mean square error, low relative error and representative to the predicted compounds spectral regions used for the calibrations). Findings indicate that FTIR spectroscopy could be exploited as a potential process analytical technology tool in the mushroom industry to characterize mushrooms and to assess their content in bioactive compounds. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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9 pages, 1360 KiB

Open AccessArticle

Fast Quantification of Honey Adulteration with Laser-Induced Breakdown Spectroscopy and Chemometric Methods

by Jiyu Peng, Weiyue Xie, Jiandong Jiang, Zhangfeng Zhao, Fei Zhou and Fei Liu

Foods 2020, 9(3), 341; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9030341 - 14 Mar 2020

Cited by 26 | Viewed by 3480

Abstract

Honey adulteration is a major issue in food production, which may reduce the effective components in honey and have a detrimental effect on human health. Herein, laser-induced breakdown spectroscopy (LIBS) combined with chemometric methods was used to fast quantify the adulterant content. Two common types of adulteration, including mixing acacia honey with high fructose corn syrup (HFCS) and rape honey, were quantified with univariate analysis and partial least squares regression (PLSR). In addition, the variable importance was tested with univariable analysis and feature selection methods (genetic algorithm (GA), variable importance in projection (VIP), selectivity ratio (SR)). The results indicated that emissions from Mg II 279.58, 280.30 nm, Mg I 285.25 nm, Ca II 393.37, 396.89 nm, Ca I 422.70 nm, Na I 589.03, 589.64 nm, and K I 766.57, 769.97 nm had compact relationship with adulterant content. Best models for detecting the adulteration ratio of HFCS 55, HFCS 90, and rape honey were achieved by SR-PLSR, VIP-PLSR, and VIP-PLSR, with root-mean-square error (RMSE) of 8.9%, 8.2%, and 4.8%, respectively. This study provided a fast and simple approach for detecting honey adulteration. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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10 pages, 558 KiB

Open AccessArticle

Oilseeds from a Brazilian Semi-Arid Region: Edible Potential Regarding the Mineral Composition

by Ivone M. C. Almeida, M. Teresa Oliva-Teles, Rita C. Alves, Joana Santos, Roberta S. Pinho, Suzene I. Silva, Cristina Delerue-Matos and M. Beatriz P. P. Oliveira

Foods 2020, 9(2), 229; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9020229 - 21 Feb 2020

Cited by 1 | Viewed by 3012

Abstract

Oilseeds from five native plant species with edible potential from the Brazilian Caatinga semi-arid region (Diplopterys pubipetala, Barnebya harleyi, Croton adamantinus, Hippocratea volubilis, and Couroupita guianensis) were investigated regarding their mineral contents. The minerals, Na, K, Ca, Mg, Fe, Cu, Cr, Al, were analyzed by high-resolution continuum source atomic absorption spectrometry (HR–CS AAS) and P by the vanadomolybdophosphoric acid colorimetric method. K, Mg, and P were the main elements found (1.62–3.7 mg/g, 362–586 µg/g, and 224–499 µg/g dry weight (dw), respectively). B. harley seeds contained the highest amounts of K and P, while C. guianensis seeds were the richest in Mg. Fe was the most abundant oligoelement (2.3–25.6 µg/g dw). Cr contents were below the limit of quantification for all samples and Al amounts were low: 0.04–1.80 µg/g dw. A linear discriminant analysis clearly differentiated B. harleyi and C. guianensis samples from the remaining ones. In sum, these oilseeds from the Brazilian Caatinga semi-arid region seem to have the potential to be used as natural sources of minerals, mainly K. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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16 pages, 4328 KiB

Open AccessEditor’s ChoiceArticle

Rapid Identification and Visualization of Jowl Meat Adulteration in Pork Using Hyperspectral Imaging

by Hongzhe Jiang, Fengna Cheng and Minghong Shi

Foods 2020, 9(2), 154; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9020154 - 06 Feb 2020

Cited by 63 | Viewed by 4595

Abstract

Minced pork jowl meat, also called the sticking-piece, is commonly used to be adulterated in minced pork, which influences the overall product quality and safety. In this study, hyperspectral imaging (HSI) methodology was proposed to identify and visualize this kind of meat adulteration. A total of 176 hyperspectral images were acquired from adulterated meat samples in the range of 0%–100% (w/w) at 10% increments using a visible and near-infrared (400–1000 nm) HSI system in reflectance mode. Mean spectra were extracted from the regions of interests (ROIs) and represented each sample accordingly. The performance comparison of established partial least square regression (PLSR) models showed that spectra pretreated by standard normal variate (SNV) performed best with R_p² = 0.9549 and residual predictive deviation (RPD) = 4.54. Furthermore, functional wavelengths related to adulteration identification were individually selected using methods of principal component (PC) loadings, two-dimensional correlation spectroscopy (2D-COS), and regression coefficients (RC). After that, the multispectral RC-PLSR model exhibited the most satisfactory results in prediction set that R_p² was 0.9063, RPD was 2.30, and the limit of detection (LOD) was 6.50%. Spatial distribution was visualized based on the preferred model, and adulteration levels were clearly discernible. Lastly, the visualization was further verified that prediction results well matched the known distribution in samples. Overall, HSI was tested to be a promising methodology for detecting and visualizing minced jowl meat in pork. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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11 pages, 990 KiB

Open AccessArticle

Validation of a Quantitative Proton Nuclear Magnetic Resonance Spectroscopic Screening Method for Coffee Quality and Authenticity (NMR Coffee Screener)

by Alex O. Okaru, Andreas Scharinger, Tabata Rajcic de Rezende, Jan Teipel, Thomas Kuballa, Stephan G. Walch and Dirk W. Lachenmeier

Foods 2020, 9(1), 47; https://0-doi-org.brum.beds.ac.uk/10.3390/foods9010047 - 04 Jan 2020

Cited by 27 | Viewed by 6319

Abstract

Monitoring coffee quality as a means of detecting and preventing economically motivated fraud is an important aspect of international commerce today. Therefore, there is a compelling need for rapid high throughput validated analytical techniques such as quantitative proton nuclear magnetic resonance (NMR) spectroscopy for screening and authenticity testing. For this reason, we sought to validate an ¹H NMR spectroscopic method for the routine screening of coffee for quality and authenticity. A factorial experimental design was used to investigate the influence of the NMR device, extraction time, and nature of coffee on the content of caffeine, 16-O-methylcafestol (OMC), kahweol, furfuryl alcohol, and 5-hydroxymethylfurfural (HMF) in coffee. The method was successfully validated for specificity, selectivity, sensitivity, and linearity of detector response. The proposed method produced satisfactory precision for all analytes in roasted coffee, except for kahweol in canephora (robusta) coffee. The proposed validated method may be used for routine screening of roasted coffee for quality and authenticity control (i.e., arabica/robusta discrimination), as its applicability was demonstrated during the recent OPSON VIII Europol-Interpol operation on coffee fraud control. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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16 pages, 3967 KiB

Open AccessArticle

Front-Face Fluorescence Spectroscopy and Chemometrics for Quality Control of Cold-Pressed Rapeseed Oil During Storage

by Ewa Sikorska, Krzysztof Wójcicki, Wojciech Kozak, Anna Gliszczyńska-Świgło, Igor Khmelinskii, Tomasz Górecki, Francesco Caponio, Vito M. Paradiso, Carmine Summo and Antonella Pasqualone

Foods 2019, 8(12), 665; https://0-doi-org.brum.beds.ac.uk/10.3390/foods8120665 - 10 Dec 2019

Cited by 25 | Viewed by 4680

Abstract

The aim of this study was to test the usability of fluorescence spectroscopy to evaluate the stability of cold-pressed rapeseed oil during storage. Freshly-pressed rapeseed oil was stored in colorless and green glass bottles exposed to light, and in darkness for a period of 6 months. The quality deterioration of oils was evaluated on the basis of several chemical parameters (peroxide value, acid value, K₂₃₂ and K₂₇₀, polar compounds, tocopherols, carotenoids, pheophytins, oxygen concentration) and fluorescence. Parallel factor analysis (PARAFAC) of oil excitation-emission matrices revealed the presence of four fluorophores that showed different evolution throughout the storage period. The fluorescence study provided direct information about tocopherol and pheophytin degradation and revealed formation of a new fluorescent product. Principal component analysis (PCA) performed on analytical and fluorescence data showed that oxidation was more advanced in samples exposed to light due to the photo-induced processes; only a very minor effect of the bottle color was observed. Multiple linear regression (MLR) and partial least squares regression (PLSR) on the PARAFAC scores revealed a quantitative relationship between fluorescence and some of the chemical parameters. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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23 pages, 1936 KiB

Open AccessArticle

The Honey Volatile Code: A Collective Study and Extended Version

by Ioannis K. Karabagias, Vassilios K. Karabagias and Anastasia V. Badeka

Foods 2019, 8(10), 508; https://0-doi-org.brum.beds.ac.uk/10.3390/foods8100508 - 17 Oct 2019

Cited by 10 | Viewed by 3445

Abstract

Background: The present study comprises the second part of a new theory related to honey authentication based on the implementation of the honey code and the use of chemometrics. Methods: One hundred and fifty-one honey samples of seven different botanical origins (chestnut, citrus, clover, eucalyptus, fir, pine, and thyme) and from five different countries (Egypt, Greece, Morocco, Portugal, and Spain) were subjected to analysis of mass spectrometry (GC-MS) in combination with headspace solid-phase microextraction (HS-SPME). Results: Results showed that 94 volatile compounds were identified and then semi-quantified. The most dominant classes of compounds were acids, alcohols, aldehydes, esters, ethers, phenolic volatiles, terpenoids, norisoprenoids, and hydrocarbons. The application of classification and dimension reduction statistical techniques to semi-quantified data of volatiles showed that honey samples could be distinguished effectively according to both botanical origin and the honey code (p < 0.05), with the use of hexanoic acid ethyl ester, heptanoic acid ethyl ester, octanoic acid ethyl ester, nonanoic acid ethyl ester, decanoic acid ethyl ester, dodecanoic acid ethyl ester, tetradecanoic acid ethyl ester, hexadecanoic acid ethyl ester, octanal, nonanal, decanal, lilac aldehyde C (isomer III), lilac aldehyde D (isomer IV), benzeneacetaldehyde, alpha-isophorone, 4-ketoisophorone, 2-hydroxyisophorone, geranyl acetone, 6-methyl-5-hepten-2-one, 1-(2-furanyl)-ethanone, octanol, decanol, nonanoic acid, pentanoic acid, 5-methyl-2-phenyl-hexenal, benzeneacetonitrile, nonane, and 5-methyl-4-nonene. Conclusions: New amendments in honey authentication and data handling procedures based on hierarchical classification strategies (HCSs) are exhaustively documented in the present study, supporting and flourishing the state of the art. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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14 pages, 2662 KiB

Open AccessArticle

HPTLC-PCA Complementary to HRMS-PCA in the Case Study of Arbutus unedo Antioxidant Phenolic Profiling

by Mariateresa Maldini, Gilda D’Urso, Giordana Pagliuca, Giacomo Luigi Petretto, Marzia Foddai, Francesca Romana Gallo, Giuseppina Multari, Donatella Caruso, Paola Montoro and Giorgio Pintore

Foods 2019, 8(8), 294; https://0-doi-org.brum.beds.ac.uk/10.3390/foods8080294 - 27 Jul 2019

Cited by 16 | Viewed by 3390

Abstract

A comparison between High-Performance Thin-Layer Chromatography (HPTLC) analysis and Liquid Chromatography High Resolution Mass Spectrometry (LC–HRMS), coupled with Principal Component Analysis (PCA) was carried out by performing a combined metabolomics study to discriminate Arbutus unedo (A. unedo) plants. For a rapid digital record of A. unedo extracts (leaves, yellow fruit, and red fruit collected in La Maddalena and Sassari, Sardinia), HPTLC was used. Data were then analysed by PCA with the results of the ability of this technique to discriminate samples. Similarly, extracts were acquired by non-targeted LC–HRMS followed by unsupervised PCA, and then by LC–HRMS (MS) to identify secondary metabolites involved in the differentiation of the samples. As a result, we demonstrated that HPTLC may be applied as a simple and reliable untargeted approach to rapidly discriminate extracts based on tissues and/or geographical origins, while LC–HRMS could be used to identify which metabolites are able to discriminate samples. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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13 pages, 378 KiB

Open AccessArticle

Two-Way Characterization of Beekeepers’ Honey According to Botanical Origin on the Basis of Mineral Content Analysis Using ICP-OES Implemented with Multiple Chemometric Tools

by Artemis Panormitis Louppis, Ioannis Konstantinos Karabagias, Chara Papastephanou and Anastasia Badeka

Foods 2019, 8(6), 210; https://0-doi-org.brum.beds.ac.uk/10.3390/foods8060210 - 14 Jun 2019

Cited by 17 | Viewed by 3725

Abstract

Asfaka, fir, flower, forest flowers and orange blossom honeys harvested in the wider area of Hellas by professional beekeepers, were subjected to mineral content analysis using inductively coupled plasma optical emission spectrometry (ICP-OES). The main purpose of this study was to characterize the mineral profile and content of toxic metals such as lead, cadmium and chromium, and investigate whether specific minerals could assist accurately in the botanical origin discrimination with implementation of chemometrics. Twenty-five minerals were identified (Ag, Al, As, B, Ba, Be, Ca, Cd, Co, Cr, Cu, Fe, Hg, Mg, Mn, Mo, Ni, Pb, Sb, Se, Si, Ti, Tl, V, Zn) and quantified. Results showed that the mineral content varied significantly (p < 0.05) according to honey botanical origin, whereas lead, cadmium, and chromium contents ranged between 0.05–0.33 mg kg⁻¹, <0.05 mg kg⁻¹, and in the range of <0.12 to 0.39 mg kg⁻¹, respectively. Fir honeys from Aitoloakarnania region showed the highest mineral content (182.13 ± 71.34 mg kg⁻¹), while flower honeys from Samos Island recorded the highest silicon content (16.08 ± 2.94 mg kg⁻¹). Implementation of multivariate analysis of variance (MANOVA), factor analysis (FA), linear discriminant analysis (LDA), and stepwise discriminant analysis (SDA) led to the perfect classification (100%) of these honeys according to botanical origin with the use of Al, As, Ca, Mg, Mn, Ni, Pb, Sb, Si, Zn and total mineral content. However, the higher lead content in the majority of samples than the regulated upper limit (0.10 mg kg⁻¹), sets the need for further improvements of the beekeepers’ practices/strategies for honey production. Full article

(This article belongs to the Special Issue Advances of Spectrometric Techniques in Food Analysis and Food Authentication Implemented with Chemometrics)

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