This review discusses strategies for characterizing wines based on compositional profiles as sources of information. Contents of low molecular organic acids, volatile species, polyphenols, amino ...acids, biogenic amines and inorganic species seem to depend on climatic, agricultural and wine-making factors. As a result, compositional profiles of these families of natural wine components can be exploited as potential descriptors of wine and its quality. Most characterization studies rely on chemometrics to facilitate extraction of information. Cluster analysis, principal component analysis and related methods are currently used for discrimination, classification, modeling and correlation.
We are delighted to introduce the “Analysis of Food and Beverages Section of Separations”, which focuses on developing and applying new approaches based on separation techniques for the ...characterization of foods and beverages ...
Polyphenols comprise a large family of naturally occurring secondary metabolites of plant-derived foods and are among the principal micronutrients associated with the health beneficial effects of our ...diet. Liquid chromatography coupled to mass spectrometry (LC-MS) and, in the last few years, high resolution mass spectrometry (LC-HRMS) is playing an important role in the research of polyphenols, not only for the determination of this family of compounds in food matrices, but also for the characterization and identification of new polyphenols, as well as the classification and authentication of natural extracts in the prevention of frauds. The purpose of this review is to describe recent advances in the LC-MS and LC-HRMS analysis and characterization of polyphenols in food focusing on the most relevant applications published in the last years. Trends regarding sample treatment, chromatographic separation, mass analyzers and chemometric approaches used in the determination and characterization of polyphenols will be addressed.
•Recent advances in LC-MS determination of polyphenols in food are presented.•Sample treatment, separation, ionization and MS detection are addressed.•HRMS relevant applications on polyphenols with Orbitrap and TOF are reviewed.•Chemometrics for optimization and characterization of polyphenols is discussed.
Coffee is today one of the most popular beverages in the world and the determination of its authenticity is an important issue considering the increase of adulteration cases in the last years. In ...this work, a simple and efficient non-targeted HPLC-FLD fingerprinting method was employed to detect and quantify adulteration levels in coffee samples by partial least squares (PLS) regression to guarantee food integrity and authenticity. For that purpose, different adulteration cases, involving both coffee production region and variety, were evaluated by pairs (Colombia-Ethiopia, Colombia-Nicaragua, India-Indonesia, Vietnam Arabica-Vietnam Robusta, Vietnam Arabica-Cambodia, and Vietnam Robusta-Cambodia adulteration cases). Overall, the proposed non-targeted HPLC-FLD fingerprinting strategy showed very good results with PLS cross-validation and prediction errors below 3.4% and 7.5%, respectively, for adulteration levels below 15%. Therefore, non-targeted HPLC-FLD fingerprints demonstrated to be suitable to assess coffee integrity and authenticity in the control and prevention of frauds.
•Chromatographic fingerprints and chemometrics for coffee authentication.•Detection of coffee frauds according to production region and coffee specie.•PLS quantitation of adulterated coffees down to 15% adulteration levels.•PLS prediction errors below to 7.5% were reached.
The determination of biogenic amines (BAs) in food products stirs increasing interest because of the implications in toxicological and food quality issues. Apart from these aspects, in recent years, ...the relevance of BAs because of some organoleptic and descriptive concerns has been pointed out by several researchers. This overview aims at revising recent advances in the determination of BAs in food samples based on liquid chromatography. In particular, papers published in the past five years have been commented. Special attention has been paid to the great possibilities of ultrahigh-performance liquid chromatography and high-resolution mass spectrometry. With regard to applications, apart from the determination of BAs in a wide range of food matrices, novel lines of research focused on the characterization, classification, and authentication of food products based on chemometrics have also been discussed.
Nowadays, the quality of natural products is an issue of great interest in our society due to the increase in adulteration cases in recent decades. Coffee, one of the most popular beverages ...worldwide, is a food product that is easily adulterated. To prevent fraudulent practices, it is necessary to develop feasible methodologies to authenticate and guarantee not only the coffee's origin but also its variety, as well as its roasting degree. In the present study, a C18 reversed-phase liquid chromatography (LC) technique coupled to high-resolution mass spectrometry (HRMS) was applied to address the characterization and classification of Arabica and Robusta coffee samples from different production regions using chemometrics. The proposed non-targeted LC-HRMS method using electrospray ionization in negative mode was applied to the analysis of 306 coffee samples belonging to different groups depending on the variety (Arabica and Robusta), the growing region (e.g., Ethiopia, Colombia, Nicaragua, Indonesia, India, Uganda, Brazil, Cambodia and Vietnam), and the roasting degree. Analytes were recovered with hot water as the extracting solvent (coffee brewing). The data obtained were considered the source of potential descriptors to be exploited for the characterization and classification of the samples using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA). In addition, different adulteration cases, involving nearby production regions and different varieties, were evaluated by pairs (e.g., Vietnam Arabica-Vietnam Robusta, Vietnam Arabica-Cambodia and Vietnam Robusta-Cambodia). The coffee adulteration studies carried out with partial least squares (PLS) regression demonstrated the good capability of the proposed methodology to quantify adulterant levels down to 15%, accomplishing calibration and prediction errors below 2.7% and 11.6%, respectively.
Biogenic amines (BAs) occur in a wide variety of foodstuffs, mainly from the decomposition of proteins by the action of microorganisms. They are involved in several cellular functions but may become ...toxic when ingested in high amounts through the diet. In the case of oenological products, BAs are already present in low concentrations in must, and their levels rise dramatically during the fermentation processes. This paper proposes a rapid method for the determination of BAs in wines and related samples based on precolumn derivatization with dansyl chloride and further detection by flow injection analysis with tandem mass spectrometry. Some remarkable analytes such as putrescine, ethanolamine, histamine, and tyramine have been quantified in the samples. Concentrations obtained have shown interesting patterns, pointing out the role of BAs as quality descriptors. Furthermore, it has been found that the BA content also depends on the vinification practices, with malolactic fermentation being a significant step in the formation of BAs. From the point of view of health, concentrations found in the samples are, in general, below 10 mg L
, so the consumption of these products does not represent any special concern. In conclusion, the proposed method results in a suitable approach for a fast screening of this family of bioactive compounds in wines to evaluate quality and health issues.
Cocoa and its derivative products, especially chocolate, are highly appreciated by consumers for their exceptional organoleptic qualities, thus being often considered delicacies. They are also ...regarded as superfoods due to their nutritional and health properties. Cocoa is susceptible to adulteration to obtain illicit economic benefits, so strategies capable of authenticating its attributes are needed. Features such as cocoa variety, origin, fair trade, and organic production are increasingly important in our society, so they need to be guaranteed. Most of the methods dealing with food authentication rely on profiling and fingerprinting approaches. The compositional profiles of natural components –such as polyphenols, biogenic amines, amino acids, volatile organic compounds, and fatty acids– are the source of information to address these issues. As for fingerprinting, analytical techniques, such as chromatography, infrared, Raman, and mass spectrometry, generate rich fingerprints containing dozens of features to be used for discrimination purposes. In the two cases, the data generated are complex, so chemometric methods are usually applied to extract the underlying information. In this review, we present the state of the art of cocoa and chocolate authentication, highlighting the pros and cons of the different approaches. Besides, the relevance of the proposed methods in quality control and the novel trends for sample analysis are also discussed.
Society's interest in the quality of food products with certain attributes has increased, the attribute of a Protected Designation of Origin (PDO) being an effective tool to guarantee the quality and ...geographical origin of a given food product. In Spain, two paprika production areas with PDO (La Vera and Murcia) are recognized. In the present work, targeted UHPLC-HRMS polyphenolic and capsaicinoid profiling through the TraceFinder
screening software, using homemade accurate mass databases, was proposed as a source of chemical descriptors, to address the characterization, classification, and authentication of paprika. A total of 126 paprika samples from different production regions-Spain (La Vera PDO and Murcia PDO) and the Czech Republic, each including different flavor varieties, were analyzed. UHPLC-HRMS polyphenolic profiles showed to be good chemical descriptors to achieve paprika classification and authentication, based on the production region, through principal component analysis and partial least squares regression-discriminant analysis, with classification rates of 82%, 86%, and 100% for La Vera PDO, Murcia PDO, and the Czech Republic, respectively. In addition, a perfect classification was also accomplished among the flavor varieties for the Murcia PDO and Czech Republic samples. By employing the UHPLC-HRMS polyphenolic and capsaicinoid profiles as chemical descriptors, acceptable discrimination among La Vera PDO flavor varieties was also achieved.
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