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Exploring the OMICS Platforms in Food Analysis

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A special issue of Molecules (ISSN 1420-3049).

Deadline for manuscript submissions: closed (31 January 2020) | Viewed by 60742

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Prof. Dr. José Sousa Câmara

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CQM - Centro de Química da Madeira, Faculty of Exact Sciences and Engineering, University of Madeira, Funchal, Portugal
Interests: food chemistry; food composition; food bioactive; foodomics; fgeographical markers; food markers; food authenticity; fraceability; food contaminants; microextraction techniques; instrumental techniques
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Dr. Rosa Perestrelo

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CQM—Centro de Química da Madeira, Universidade da Madeira, Campus da Penteada, Funchal, Portugal
Interests: food chemistry; molecular markers; natural products; food bioactive components; analytical chemistry
Special Issues, Collections and Topics in MDPI journals

Dr. Jorge Pereira

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CQM – Centro de Químcia da Madeira, Universidade da Madeira, 9000 Funchal, Portugal
Interests: food composition in bioactive compounds; food quality and degradation; markers for food origin and authenticity; microextraction; chromatographic analysis; foodomics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Since antiquity, scientists have been concerned with food and nutrition issues, being the most significant discoveries from the late 1700s. Prominent scientists, including Antoine Lavoisier, Gay-Lussac, and Jacob Berzelius, studied foods intensively and made discoveries of fundamental importance to food chemistry. Impressive developments in different fields changed the food analysis paradigm, which has moved from classical methodologies to advanced technologies that have been well established.

Currently, research in food science and nutrition is boosted thanks to the great potential offered by foodomics in unraveling the vast complexities of food metabolomes at the genetic and molecular levels, through the employment of advanced OMICS tools, namely metabolomics, lipidomics, proteomics and genomics.

Assuming an increasing centrality on the systematic establishment of metabolomes, volatomes, lipidomes, proteomes and genomes, the OMICS technologies have now emerged as self-standing research fields relying on well-established and recognized analytical methods, such as mass spectrometry techniques (GC-MS and LC-MS/MS), in addition to modern spectroscopic approaches based on NMR (¹H; ¹³C), IR and sensor technologies, to better characterize food matrices, identifying their components and defining nutritional properties. This comprehensive strategy, based on the integration of foodomic platforms, combined with high-resolution analytical approaches and data processing, can help us to elucidate some critical issues in food analysis related with food safety and food quality. In turn, this will progress our understanding of the biochemical, molecular and cellular mechanisms related with the health benefits of bioactive food components.

This Special Issue aims to attract contributions on all aspects of the food science, food chemistry and food analysis supported by different OMICS platforms. There is still the challenge to further explore food authentication and adulteration in addition to food safety and nutrition issues based on different high throughput analytical methodologies.

Prof. Dr. José Sousa Câmara
Dr. Rosa Perestrelo
Dr. Jorge Pereira
Guest Editors

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Keywords

Food analysis
Foodomics and Foodome
Multi-OMICS approaches—Metabolomics, Volatomics, Proteomics, Lipidomics, Genomics
Food Typicality, Authentication and Adulteration
Food Safety and toxicology
Nutrition
Sensors
Analytical platforms: GC-MS, LC-MSMS, NMR, Electrophoresis
Statistical tools

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Exploring the OMICS Platforms in Food Analysis II in Molecules (3 articles)

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Research

10 pages, 1019 KiB

Open AccessArticle

Heterocyclic Amine Formation in Grilled Chicken Depending on Body Parts and Treatment Conditions

by Dániel Pleva, Katalin Lányi, Kitti Dóra Monori and Péter Laczay

Molecules 2020, 25(7), 1547; https://doi.org/10.3390/molecules25071547 - 28 Mar 2020

Cited by 15 | Viewed by 3711

Abstract

Heterocyclic amines (HCAs) carcinogenicity is known since the 1970′s, but the exact way of their formation is still unclear. During these examinations different body parts (breast filet with and without skin, thigh filet without skin and full wing with skin) of chickens from the same Ross 308 strain were analyzed after grilling with the combination of 3-3 temperature and duration levels (150-180-210 °C and 2.5-5-10 min per side). Five different kinds of heterocyclic amines (HAR, NOR, MeIQx, 4,8-DiMeIQx and PhIP) were detected by HLPC-MS/MS. The results obtained from the present study confirm that, in general, the higher the temperature and longer the duration of the grilling the more HCAs will be generated. Grilling of chicken thigh without bones and skin resulted in lower amounts of HCAs generated in comparison to the grilling of chicken breast without skin. The presence of skin on the chicken breast increased the amounts of HCAs formed, especially if grilling was performed at high temperature for longer duration, especially at 210 °C for 10 min. In case of grilling the chicken wings, the amounts of HCAs formed were lower than observed in the breast. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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12 pages, 440 KiB

Open AccessArticle

Proteomic Analysis of Proteins Responsive to Drought and Low Temperature Stress in a Hard Red Spring Wheat Cultivar

by Maryke Labuschagne, Stefania Masci, Silvio Tundo, Vera Muccilli, Rosaria Saletti and Angeline van Biljon

Molecules 2020, 25(6), 1366; https://doi.org/10.3390/molecules25061366 - 17 Mar 2020

Cited by 15 | Viewed by 2934

Abstract

Drought stress is becoming more prevalent with global warming, and has been shown to have large effects on gluten proteins linked to wheat bread making quality. Likewise, low temperature stress can detrimentally affect proteins in wheat. This study was done to determine the differential abundance of high molecular weight (HMW) glutenin proteins in a drought and low temperature stressed high quality hard red spring wheat cultivar (PAN3478), against a control. The treatments were applied in the greenhouse at the soft dough stage. HMW glutenin proteins were extracted from the flour, and were separated by using two-dimensional gel electrophoresis. Protein spots that had p values lower than 0.05 and fold values equal to or greater than 1.2 were considered to be significantly differentially abundant. These proteins were further analyzed by using tandem mass spectrometry. There was a 1.3 to 1.8 fold change in 17 protein spots due to the cold treatment. The drought treatment caused a 1.3 to 3.8 fold change in 19 protein spots. These spots matched either HMW or low molecular weight (LMW) glutenin subunits. In the latter case, the C subunits of LMW glutenins were notably found to be up-regulated under both stress conditions. All the proteins that have been identified can directly influence dough characteristics. Data are available via ProteomeXchange with the identifier PXD017578. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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17 pages, 2103 KiB

Open AccessArticle

Classification of Red Wines Produced from Zweigelt and Rondo Grape Varieties Based on the Analysis of Phenolic Compounds by UPLC-PDA-MS/MS

by Anna Stój, Ireneusz Kapusta and Dorota Domagała

Molecules 2020, 25(6), 1342; https://doi.org/10.3390/molecules25061342 - 16 Mar 2020

Cited by 23 | Viewed by 3556

Abstract

The authentication of grape variety from which wine is produced is necessary for protecting a consumer from adulteration and false labelling. The aim of this study was to analyze phenolic compounds in red monovarietal wines produced from Zweigelt (Vitis vinifera) and Rondo (non-Vitis vinifera) varieties while using the UPLC-PDA-MS/MS method and to assess whether these wines can be classified according to grape variety that is based on chemometric analysis. Fifty-five phenolic compounds belonging to five classes—anthocyanins, flavonols, flavan-3-ols, phenolic acids, and stilbenes—were identified and quantified in Zweigelt and Rondo wines. The wines of the Zweigelt variety were characterized by lower concentrations of phenolic compounds than those of the Rondo variety. Furthermore, wines of the Zweigelt variety contained the highest concentrations of flavan-3-ols, and wines of the Rondo variety—the highest concentrations of anthocyanins. Hierarchical cluster analysis (HCA) revealed that Zweigelt wines and Rondo wines formed two separate groups. The Rondo group was divided into two subgroups, differing in type of malolactic fermentation (spontaneous or induced). Phenolic compounds analysis by means of UPLC-PDA-MS/MS combined with HCA is a useful tool for the classification of red wines that were produced from Zweigelt and Rondo grape varieties, regardless of yeast strain and type of malolactic fermentation. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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16 pages, 2180 KiB

Open AccessArticle

Chemical Characterization of Capsule-Brewed Espresso Coffee Aroma from the Most Widespread Italian Brands by HS-SPME/GC-MS

by Veronica Lolli, Animesh Acharjee, Donato Angelino, Michele Tassotti, Daniele Del Rio, Pedro Mena and Augusta Caligiani

Molecules 2020, 25(5), 1166; https://doi.org/10.3390/molecules25051166 - 5 Mar 2020

Cited by 20 | Viewed by 5395

Abstract

Coffee capsules market is on the rise as it allows access to a wide selection of coffee, differing in taste and brand. However, few data about the chemical characterization of the capsule-brewed coffee aroma are available. In this work, an untargeted approach using headspace solid-phase microextraction (HS-SPME) coupled to gas chromatography–mass spectrometry (GC-MS) and combined to chemometrics was performed to study and compare aroma profile from 65 capsule-brewed espresso coffees (ECs) commercialized by five of the most representative brands in Italy. Volatile profiles obtained from ECs were subjected to multivariate statistical analysis, which generally did not show a significant variability among coffees belonging to the same brand, except for those modified after the addition of specific flavor additives or aromatic substances (such as caramel, chocolate, etc.). Similarities may be related to the starting coffee brew or the processing method, which is likely the same for each individual brand. Additionally, partial least squares discriminant analysis (PLS-DA) showed that capsules from a specific brand contain the highest concentration of pyrazines, thus characterized by an intense and characteristic aroma, and a stronger note than those from the other brands. This study supports that the chemical analysis in conjunction with chemometric tools is a useful approach for assessing flavor quality, even if the need remains to identify volatile markers of high-quality beverages. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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14 pages, 1667 KiB

Open AccessArticle

Untargeted HILIC-MS-Based Metabolomics Approach to Evaluate Coffee Roasting Process: Contributing to an Integrated Metabolomics Multiplatform

by Raquel Pérez-Míguez, María Castro-Puyana, Elena Sánchez-López, Merichel Plaza and María Luisa Marina

Molecules 2020, 25(4), 887; https://doi.org/10.3390/molecules25040887 - 17 Feb 2020

Cited by 20 | Viewed by 4411

Abstract

An untargeted metabolomics strategy using hydrophilic interaction chromatography-mass spectrometry (HILIC-MS) was developed in this work enabling the study of the coffee roasting process. Green coffee beans and coffee beans submitted to three different roasting degrees (light, medium, and strong) were analyzed. Chromatographic separation was carried out using water containing 10 mM ammonium formate with 0.2 % formic acid (mobile phase A) and acetonitrile containing 10 mM ammonium formate with 0.2 % formic acid (mobile phase B). A total of 93 molecular features were considered from which 31 were chosen as the most statistically significant using variable in the projection values. 13 metabolites were tentatively identified as potential biomarkers of the coffee roasting process using this metabolomic platform. Results obtained in this work were complementary to those achieved using orthogonal techniques such as reversed-phase liquid chromatography-mass spectrometry (RPLC-MS) and capillary electrophoresis-mass spectrometry (CE-MS) since only one metabolite was found to be common between HILIC-MS and RPLC-MS platforms (caffeoylshikimic acid isomer) and other between HILIC-MS and CE-MS platforms (choline). On the basis of these results, an untargeted metabolomics multiplatform is proposed in this work based on the integration of the three orthogonal techniques as a powerful tool to expand the coverage of the roasted coffee metabolome. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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16 pages, 2071 KiB

Open AccessArticle

Characterization of the Volatiles and Quality of Hybrid Grouper and Their Relationship to Changes of Microbial Community During Storage at 4 °C

by Wenbo Huang and Jing Xie

Molecules 2020, 25(4), 818; https://doi.org/10.3390/molecules25040818 - 13 Feb 2020

Cited by 17 | Viewed by 3150

Abstract

To investigate the effects of spoilage bacteria on aquatic product quality and volatile organic compounds (VOCs) in hybrid grouper (Epinephelus fuscoguttatus ♀×Epinephelus lanceolatus ♂), the physical conditions were evaluated, the chemical changes including color, total volatile base nitrogen (TVB-N), VOCs, and free amino acids (FFAs) were determined, and biological profiles were made through microbial community (total viable counts (TVC), 16S rRNA gene amplification sequencing, and next-generation sequencing (NGS) technology on hybrid grouper, which were stored at 4 °C for 10 days. The results showed that the whiteness and TVB-N of grouper increased throughout the storage period. The contents of glycine, alanine, and total free amino acid decreased with the microbial activity towards the end of the study period. At the end of storage, the TVC reached 9.0 log10 (CFU/g). Seventy eight strains of bacteria were isolated from the hybrid grouper, most of which were shown to be Pseudomonas spp., after 16S rRNA sequencing. The results of the NGS test showed that the diversity of dominant bacteria decreased with time; Pseudomonas azotoformans was the dominant spoilage bacteria at the end of storage. The VOCs of fish and bacteria in the grouper’s spoilage process were presented in headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS). Twenty eight compounds were identified in hybrid grouper, among which alcohol and aldehyde were used to characterize freshness, both of which were not only related to the overall flavor of the grouper, but were also affected by microbial activity. However, due to the complexity of microbial communities in aquatic products, the correlation between community changes and VOCs needs further research. This study provides insights into the correlation between VOCs and specific spoilage organisms (SSOs) through the analysis of the microbial community and VOCs. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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11 pages, 1723 KiB

Open AccessArticle

Volatile Compounds in Fruit Peels as Novel Biomarkers for the Identification of Four Citrus Species

by Haipeng Zhang, Huan Wen, Jiajing Chen, Zhaoxin Peng, Meiyan Shi, Mengjun Chen, Ziyu Yuan, Yuan Liu, Hongyan Zhang and Juan Xu

Molecules 2019, 24(24), 4550; https://doi.org/10.3390/molecules24244550 - 12 Dec 2019

Cited by 24 | Viewed by 4414

Abstract

The aroma quality of citrus fruit is determined by volatile compounds, which bring about different notes to allow discrimination among different citrus species. However, the volatiles with various aromatic traits specific to different citrus species have not been identified. In this study, volatile profiles in the fruit peels of four citrus species collected from our previous studies were subjected to various analyses to mine volatile biomarkers. Principal component analysis results indicated that different citrus species could almost completely be separated. Thirty volatiles were identified as potential biomarkers in discriminating loose-skin mandarin, sweet orange, pomelo, and lemon, while 17 were identified as effective biomarkers in discriminating clementine mandarins from the other loose-skin mandarins and sweet oranges. Finally, 30 citrus germplasms were used to verify the classification based on β-elemene, valencene, nootkatone, and limettin as biomarkers. The accuracy values were 90.0%, 96.7%, 96.7%, and 100%, respectively. This research may provide a novel and effective alternative approach to identifying citrus genetic resources. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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11 pages, 1752 KiB

Open AccessArticle

Amino Acid Profile of Fruits as Potential Fingerprints of Varietal Origin

by Oana Romina Botoran, Roxana Elena Ionete, Marius Gheorghe Miricioiu, Diana Costinel, Gabriel Lucian Radu and Raluca Popescu

Molecules 2019, 24(24), 4500; https://doi.org/10.3390/molecules24244500 - 9 Dec 2019

Cited by 17 | Viewed by 4487

Abstract

This study aims to assess the capability of the ¹H-NMR profiling of fruits from different genera in combination with multivariate data analysis to provide feasible information for fruit juices’ authenticity in terms of botanical origin. Nine fruit varieties from four genera were selected for the experimental plan. The juice obtained from the fruits was characterized using the ¹H-NMR technique, selecting the obtained amino acid profile of fruits as a potential specific fingerprint. Due to the complex information provided by the NMR spectra, a chemometric approach of the data was further applied to enable the differentiation of the fruit samples, highlighting thus its suitability as a discrimination tool for the varietal origin. The advantage of this analytical approach is given by the relatively simple working procedure, which consists of an easy, fast, and accessible preparation stage while providing complex information on fruit composition. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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14 pages, 3049 KiB

Open AccessArticle

Isolation and Characterization of Melanoidins from Dulce de Leche, A Confectionary Dairy Product

by Analía Rodríguez, Patricia Lema, María Inés Bessio, Guillermo Moyna, Luis Alberto Panizzolo and Fernando Ferreira

Molecules 2019, 24(22), 4163; https://doi.org/10.3390/molecules24224163 - 17 Nov 2019

Cited by 19 | Viewed by 4635

Abstract

Melanoidins, the brown-colored compounds formed through the Maillard reaction, are responsible for color development in dulce de leche (DL), a popular confectionary dairy product in the Río de la Plata region, particularly in Uruguay and Argentina. Color is a critical quality parameter that strongly influences consumer preference. This work aimed to develop a method to perform preliminary structural characterization of the chromophores produced by the Maillard reaction. Melanoidins are present in a water-insoluble fraction, linked to a protein backbone, conforming melanoproteins of high molecular weight. The insoluble melanoprotein fraction (10% total solids) was isolated, and the chromophores released by proteolysis and isolated by gel-permeation chromatography. The analysis of the products revealed that they present a high degree of molecular weight (MW) polydispersity, in a range of 300 to 2000 Da, where the compounds of higher molecular weight contributed the most to the color of the product. The isolated fractions were further analyzed by RP-HPLC using a diode array detector (DAD) detector. These results, together with H-NMR data, suggested that the chromophores isolated belonged to a relatively simple mixture of aromatic products with higher hydrophobic character relative to other products of the melanoprotein digestion. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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14 pages, 3359 KiB

Open AccessArticle

Assessing the Utility of Multiplexed Liquid Chromatography-Mass Spectrometry for Gluten Detection in Australian Breakfast Food Products

by Haili Li, Utpal Bose, Sally Stockwell, Crispin A. Howitt and Michelle Colgrave

Molecules 2019, 24(20), 3665; https://doi.org/10.3390/molecules24203665 - 11 Oct 2019

Cited by 12 | Viewed by 2981

Abstract

Coeliac disease (CD) is an autoimmune disorder triggered by the ingestion of gluten that is associated with gastrointestinal issues, including diarrhea, abdominal pain, and malabsorption. Gluten is a general name for a class of cereal storage proteins of wheat, barley, and rye that are notably resistant to gastrointestinal digestion. After ingestion, immunogenic peptides are subsequently recognized by T cells in the gastrointestinal tract. The only treatment for CD is a life-long gluten-free diet. As such, it is critical to detect gluten in diverse food types, including those where one would not expect to find gluten. The utility of liquid chromatography-mass spectrometry (LC-MS) using cereal-specific peptide markers to detect gluten in heavily processed food types was assessed. A range of breakfast products, including breakfast cereals, breakfast bars, milk-based breakfast drinks, powdered drinks, and a savory spread, were tested. No gluten was detected by LC-MS in the food products labeled gluten-free, yet enzyme-linked immunosorbent assay (ELISA) measurement revealed inconsistencies in barley-containing products. In products containing wheat, rye, barley, and oats as labeled ingredients, gluten proteins were readily detected using discovery proteomics. Panels comprising ten cereal-specific peptide markers were analyzed by targeted proteomics, providing evidence that LC-MS could detect and differentiate gluten in complex matrices, including baked goods and milk-based products. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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15 pages, 1838 KiB

Open AccessArticle

Freshness Assessment and Shelf-Life Prediction for Seriola dumerili from Aquaculture Based on the Quality Index Method

by Jorge Freitas, Paulo Vaz-Pires and José S. Câmara

Molecules 2019, 24(19), 3530; https://doi.org/10.3390/molecules24193530 - 29 Sep 2019

Cited by 27 | Viewed by 8472

Abstract

Fish and fish-based products are easily perishable foods due to different factors, including fragile organization, abundant endo-enzymes, psychrophilic bacteria, and impact of pre-harvest operations, that contribute to reducing its value. Therefore, a timely effective method for fish freshness and shelf-life evaluation is important. In this context, this study aimed to develop a sensory scheme based on the Quality Index Method (QIM) (sensory table and point system) for freshness monitorization and shelf-life prediction for Seriola dumerili from aquaculture in Madeira Island. Evaluation of appearance, texture, eyes, and gills was performed during 20 days of storage on ice (0 ± 1 °C). The shelf-life prediction was supported by the analysis of microorganisms (total viable colonies, TVC, counts), texture (Torrymeter), and production of trimethylamine (TMA), evaluated by HS-SPME–GC–MS and validated according to Association of Official Analytical Chemists AOAC guidelines. The result is a QIM scheme with 25 demerit points, where zero indicates total freshness. From the integration of sensory analysis, microbial growth at the time of rejection (TVC, 10⁸ cfu/cm² and H2S producers, 10⁷ cfu/cm²), texture (Torrymeter value < 8), and TMA analyses (>12.5 mg/100 g), shelf-life was estimated as 12 days (±0.5 days). The obtained results show the high-throughput potential of the developed method for fish freshness assessment and shelf-life prediction. This QIM scheme is a secure way to measure quality and provide users with a reliable standardized fish freshness measure. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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12 pages, 2335 KiB

Open AccessArticle

Combined Analysis of Primary Metabolites and Phenolic Compounds to Authenticate Commercial Monovarietal Peach Purees and Pear Juices

by Antoni Delpino-Rius, Jordi Eras, Ferran Gatius, Mercè Balcells and Ramon Canela-Garayoa

Molecules 2019, 24(18), 3289; https://doi.org/10.3390/molecules24183289 - 10 Sep 2019

Cited by 6 | Viewed by 3322

Abstract

Here we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (¹H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectrometry (UPLC-PDA-MS/MS), respectively. After suitable preprocessing, the ¹H-NMR and chromatographic data were evaluated by principal component analysis (PCA). The PCA combining data from primary metabolites and phenolic compounds allowed the separation of the clusters in all cases, allowing discrimination of processed and unprocessed peach purees, both separately and pooled. The PCA of primary metabolites allowed the cluster separation of purees of distinct peach varieties but not between processed and non-processed purees. The PCA of phenolic compounds allowed better cluster separation than of primary metabolites. For pear juices, both PCA approaches allowed satisfactory discrimination of Alejandrina, Conference, and Blanquilla cultivars. These approaches may help to better control cultivar authenticity in fruit products. It could therefore contribute to the development of a process to achieve products characterized by a quality characteristic of a given cultivar. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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15 pages, 3092 KiB

Open AccessArticle

Metabolomics for Age Discrimination of Ginseng Using a Multiplex Approach to HR-MAS NMR Spectroscopy, UPLC–QTOF/MS, and GC × GC–TOF/MS

by Dahye Yoon, Bo-Ram Choi, Seohee Ma, Jae Won Lee, Ick-Hyun Jo, Young-Seob Lee, Geum-Soog Kim, Suhkmann Kim and Dae Young Lee

Molecules 2019, 24(13), 2381; https://doi.org/10.3390/molecules24132381 - 27 Jun 2019

Cited by 21 | Viewed by 4358

Abstract

(1) Background: The ability to determine the age of ginseng is very important because the price of ginseng depends on the cultivation period. Since morphological observation is subjective, a new scientific and systematic method for determining the age of ginseng is required. (2) Methods: Three techniques were used for a metabolomics approach. High-resolution magic-angle-spinning nuclear magnetic resonance (HR-MAS NMR) spectroscopy was used to analyze powdered ginseng samples without extraction. Ultrahigh-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) and gas chromatography quadrupole time-of-fight mass spectrometry (GC-TOF/MS) were used to analyze the extracts of 4-, 5-, and 6-year-old ginseng. (3) Results: A metabolomics approach has the potential to discriminate the age of ginseng. Among the primary metabolites detected from NMR spectroscopy, the levels of fumarate and choline showed moderate prediction with an area under the curve (AUC) value of more than 0.7. As a result of UPLC-QTOF/MS-based profiling, 61 metabolites referring to the VIP (variable importance in the projection) score contributed to discriminating the age of ginseng. The results of GC×GC-TOF/MS showed clear discrimination of 4-, 5-, and 6-year-old ginseng using orthogonal partial least-squares discriminant analysis (OPLS-DA) to 100% of the discrimination rate. The results of receiver operating characteristic (ROC) analysis, 16 metabolites between 4- and 5-year-old ginseng, and 18 metabolites between 5- and 6-year-old ginseng contributed to age discrimination in all regions. (4) Conclusions: These results showed that metabolic profiling and multivariate statistical analyses can distinguish the age of ginseng. Especially, it is meaningful that ginseng samples from different areas had the same metabolites for age discrimination. In future studies, it will be necessary to identify the unknown variables and to collaboratively study with other fields the biochemistry of aging in ginseng. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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17 pages, 1110 KiB

Open AccessArticle

Greek Graviera Cheese Assessment through Elemental Metabolomics—Implications for Authentication, Safety and Nutrition

by Georgios Danezis, Charis Theodorou, Theofilos Massouras, Evangelos Zoidis, Ioannis Hadjigeorgiou and Constantinos A. Georgiou

Molecules 2019, 24(4), 670; https://doi.org/10.3390/molecules24040670 - 14 Feb 2019

Cited by 19 | Viewed by 4129

Abstract

This study presents the comprehensive elemental profile of Greek Graviera (Gruyère) cheeses. In total, 105 samples from nine different geographic regions produced from sheep, goat and cow milk and their mixtures were assessed. Elemental signatures of 61 elements were investigated for determination of geographic origin and milk type. Regional and milk type classification through Linear Discriminant Analysis was successful for almost all cases, while a less optimistic cross validation exercise presented lower classification rates. That points to further research using a much larger sample set, increasing confidence for cheese authentication utilizing also bioinformatics tools under development. This is the first study reporting signatures of 61 elements in dairy products including all sixteen rare earth elements and all seven precious metals. Safety and quality were assessed regarding toxic and nutritive elements. According to both EU and USA regulations and directives, Graviera is a nutritional source for trace and macro elements with low levels of toxic elements. Full article

(This article belongs to the Special Issue Exploring the OMICS Platforms in Food Analysis)

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