Increasing consumer awareness of food safety issues requires the development of highly sophisticated techniques for the authentication of food commodities. The food products targeted for falsification are either products of high commercial value or those produced in large quantities. For this reason, the present investigation is directed toward the characterization of coffee samples according to geographical origin attributes. In addition, the current examination is focused on the identification of particular marker compounds that compose the volatile and semivolatile aroma fraction of flavoured and dessert coffees. The conducted research involved the development of a rapid headspace solid phase microextraction (HS-SPME) – gas chromatography – time-of-flight mass spectrometry (GC-TOFMS) method for the verification of geographical origin traceability of coffee samples. As opposed to the utilization of traditional univariate optimization methods, the current study employs the application of multivariate experimental designs to the optimization of extraction-influencing parameters. Hence, the two-level full factorial first-order design aided in the identification of two influential variables: extraction time and sample temperature. The optimum set of conditions for the two variables was 12 min and 55 oC, respectively, as directed by utilization of the Doehlert matrix and response surface methodology. The high-throughput automated SPME procedure was completed under optimized conditions by implementing a single divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) metal fiber with excellent properties of durability, which ensured the complete analysis of coffee samples in sequence. The coffee sample originating from an authentic Brazilian coffee producing region and characterized by rich volatile and semivolatile chromatographic profiles was selected as a reference starting point for data evaluation. The combination of the retention index (RI) system using C8-C40 alkanes and the mass spectral library search was utilized for the confirmation of analyte identity in this reference sample. Twenty-nine volatile and semivolatile compounds selected across the wide range of GC chromatogram were then evaluated in terms of chromatographic peak areas for all samples that are to be submitted to this classification study. The semiquantitative results were submitted to statistical evaluation, namely principal component analysis (PCA) for the establishment of corresponding geographical origin discriminations.

Increasing consumer awareness of food safety issues requires the development of highly sophisticated techniques for the authentication of food commodities. The food products targeted for falsification are either products of high commercial value or those produced in large quantities. For this reason, the present investigation is directed toward the characterization of coffee samples according to geographical origin attributes. In addition, the current examination is focused on the identification of particular marker compounds that compose the volatile and semivolatile aroma fraction of flavoured and dessert coffees. The conducted research involved the development of a rapid headspace solid phase microextraction (HS-SPME) – gas chromatography – time-of-flight mass spectrometry (GC-TOFMS) method for the verification of geographical origin traceability of coffee samples. As opposed to the utilization of traditional univariate optimization methods, the current study employs the application of multivariate experimental designs to the optimization of extraction-influencing parameters. Hence, the two-level full factorial first-order design aided in the identification of two influential variables: extraction time and sample temperature. The optimum set of conditions for the two variables was 12 min and 55 oC, respectively, as directed by utilization of the Doehlert matrix and response surface methodology. The high-throughput automated SPME procedure was completed under optimized conditions by implementing a single divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) metal fiber with excellent properties of durability, which ensured the complete analysis of coffee samples in sequence. The coffee sample originating from an authentic Brazilian coffee producing region and characterized by rich volatile and semivolatile chromatographic profiles was selected as a reference starting point for data evaluation. The combination of the retention index (RI) system using C8-C40 alkanes and the mass spectral library search was utilized for the confirmation of analyte identity in this reference sample. Twenty-nine volatile and semivolatile compounds selected across the wide range of GC chromatogram were then evaluated in terms of chromatographic peak areas for all samples that are to be submitted to this classification study. The semiquantitative results were submitted to statistical evaluation, namely principal component analysis (PCA) for the establishment of corresponding geographical origin discriminations.

Les échanges commerciaux s'intensifient et s'étendent à l'ensemble de la planète. Le consommateur est exigeant et sensible à la qualité et à l'origine des produits alimentaires qu'il achète. Devant la difficulté de mettre en place des systèmes documentaires dans les pays d'Afrique sub-saharienne, des nouvelles stratégies de traçabilité émergent. Parmi les nouveaux moyens de tracer les produits d'origine végétale, l'idée de créer un « code barre biologique » basé sur l'analyse des ADN de microorganismes présents sur les fruits est une piste intéressante. Cette thèse est l'objet d'étude d'un WP dirigé par D. Montet obtenu dans le cadre du projet Inco Innovkar géré par JM Bouvet de l'UR 39. Cette méthode repose sur l'hypothèse que la microflore commensale du fruit de karité est spécifique entre autre d'une zone géographique de production. L'écologie des bactéries, levures et moisissures seront étudiées par le thésard sur le karité et le Physalis, une plante à fruit de la même zone géographique à fort potentiel commercial. L'analyse biochimique des fruits ainsi que l'activité antimicrobienne de certaines molécules sera étudiée (physaline). / Trade intensified and spread to the entire planet. The consumer is demanding and sensitive to the quality and origin of food products they buy. Given the difficulty of setting up documentation systems in countries in sub-Saharan Africa, new strategies are emerging traceability. Among the new means of tracing products of plant origin, the idea of creating a "biological bar code" based on the analysis of DNA of microorganisms on fruit is an interesting idea. This thesis is the subject of a study conducted by D. Montet WP obtained under the Inco project managed by JM Bouvet Innovkar of UR 39. This method assumes that the commensally microflora of the fruit of Shea is among other a specific geographical area of production. The ecology of bacteria, yeasts and molds will be reviewed by the PhD student on Shea butter and Physalis, a plant with fruit of the same geographical area with high commercial potential. Biochemical analysis of fruit and antimic robial activity of certain molecules will be studied (physaline).

La thèse a soulevé deux défis dans l’analyse des métaux dans le riz : (i) un dosage multiélémentaire dans le but de la classification du riz selon l’origine géographique, et (ii) la spéciation du sélénium, élément essentiel dans la nutrition, dans le but de l’identification des cibles moléculaires de son assimilation et stockage. Une méthode d’analyse multiélémentaire par l’ICP MS combinée avec des techniques chimiométriques a été proposée comme outil pour la discrimination des riz selon leurs origines géographiques. Les concentrations des 21 éléments ont été analysées par le diagramme en radar, l’analyse en composantes principales, et l’analyse discriminante linéaire. Le riz thaï (riz jasmin) a pu être discriminé des riz étrangers. De plus, l’analyse discriminante a permis de de différencier les riz produits dans les différentes régions de Thaïlande. L’approche de protéomique assistée par l’ICP MS a permis l’identification d’une douzaine de protéines accumulant préférentiellement le sélénium sous forme de sélénomethionine et de sélénocystéine (en proportion 2:1). / The PhD work is focused on two major analytical chemistry challenges concerning rice characterization: (i) the geographical origin classification of rice based on multi-element fingerprinting and (ii) speciation of selenium with the goal of the identification of molecular target of it assimilation and storage in rice. The methods based on the multi-element fingerprinting by inductively coupled plasma mass spectrometry (ICP-MS) in combination with multivariate statistical techniques were developed and validated as tools for authentication of rice. Twenty-one key variables were assessed by a radar plot technique and multivariate data analysis, including principal component analysis (PCA) and discriminant analysis (DA) enabling classification according to geographical origin. Thai jasmine rice could be clearly differentiated from foreign rice samples. In addition, the DA could be used to classify Thai jasmine rice obtained from different regions in Thailand. In the second part of the project, an analytical ICP-MS-assisted proteomic method was developed for the identification of Se-containing proteins in rice. Selenium was found to be present as both selenomethionine (SeMet) and selenocysteine (SeCys) in a dozen of rice proteins with the Se/S substitution ratio two times higher for SeMet than that for SeCys.

The diploma thesis is focused on the determination of basic nutritional properties of 26 samples of ground pepper from different countries and evaluates, whether the chemical composition of ground pepper is affected by the geographical origin. The amount of 19 nutritional properties were determined by advanced analytical methodes (ICP-OES, HPLC DAD, HPLC ELSD) together with other laboratory techniques. Final results were statistically processed by the methods of analysis of variance (ANOVA), cluster analysis, principal component analysis (PCA) and discriminant analysis (DA). Statistical evaluation confirmed, that the chemical composition is affected by the geographical origin. Analysis of variance (ANOVA) determined 14 parameters to statistically differ (p

O vinho possui uma composição química complexa que, além de água e etanol, contém grande variedade de substâncias orgânicas e inorgânicas. Esta composição é influenciada por diversos fatores correspondentes à área específica de produção, como características do solo, condições ambientais, cultivar da uva e o processo de elaboração do vinho. Assim, o estudo dos elementos minerais apresenta grande interesse, sendo utilizado, aliado a ferramentas de análise estatística multivariada, na diferenciação de vinhos de acordo com sua origem geográfica. Neste trabalho são apresentados dois estudos que caracterizaram e diferenciaram vinhos pela sua composição mineral. O primeiro teve por objetivo caracterizar e diferenciar vinhosbase (cvs. Chardonnay e Pinot Noir) provenientes da Serra do Nordeste e Serra do Sudeste do Rio Grande do Sul através de parâmetros físico-químicos e elementos minerais combinada com técnicas de análise multivariada. O segundo teve por objetivo caracterizar e diferenciar amostras de vinhos espumantes produzidos no Brasil, Argentina, Chile, Espanha e França a partir da composição mineral aliada a ferramentas de estatística multivariada. Os parâmetros físico-químicos foram avaliados por espectrofotometria no infravermelho e os elementos minerais por espectrometria de emissão ótica com plasma indutivamente acoplado (ICP-OES). Na caracterização e diferenciação dos vinhos-base os elementos encontrados em maiores concentrações foram o K, Mg e Ca, e em menores concentrações o Ba, Fe, Sr e Al. A Análise de Componentes Principais (ACP) mostrou que há uma tendência natural de separação entre os vinhos-base da Serra do Nordeste e Serra do Sudeste. Através da Análise Discriminante (AD) obteve-se para os vinhos-base da cv. Chardonnay cinco descritores químicos (Mg, Ca, Mn, pH e grau alcoólico) e para a cv. Pinot Noir seis descritores (B, Mn, Fe, Na, pH, acidez volátil) com capacidade de distinguir as amostras de vinhos-base de acordo com a origem geográfica. Os elementos Mn e Mg parecem ser os elementos com maior capacidade de discriminação entre os vinhos-base da Serra do Nordeste e Serra do Sudeste. No trabalho de caracterização e diferenciação dos vinhos espumantes, em todas as amostras o elemento K foi encontrado em maiores concentrações, e em menores concentrações os elementos Ba, Cu e Li. A Análise de Agrupamento Hierárquico (AAH) e a ACP demonstraram que há uma tendência natural de separação entre os vinhos espumantes do Brasil e Argentina daqueles dos outros 3 países. Através do emprego da AD obteve-se uma correta classificação de 100, 95, 84, 90, e 83 % para os vinhos espumantes do Brasil, Argentina, Chile, França e Espanha, respectivamente. Os elementos Mn, Li, Sr e Mg foram encontrados como melhores descritores químicos para a discriminação dos vinhos espumantes destes cinco países. / Wine presents a complex chemical composition containing, besides water and ethanol, a large variety of organic and inorganic compounds. This composition is influenced by several factors concerning to specific production area such as soil characteristics, environmental conditions, grape cultivar and winemaking practices. The study of mineral elements presents high interest, being used, when analyzed by multivariate statistics, for wine differentiation according to its geographical origin. Two studies characterizing and differentiating wines by their mineral composition are presented in this work. First study aimed to characterize and differentiate base wines (cvs. Chardonnay and Pinot Noir) from Serra do Nordeste and Serra do Sudeste of Rio Grande do Sul by physicochemical parameters and mineral elements analysis followed by multivariate statistics. Second study aimed to characterize and differentiate samples of sparkling wines produced in Brazil, Argentina, Chile, Spain and France by mineral composition analysis followed by multivariate statistics. Physicochemical parameters were evaluated by inductively coupled plasma optical emission spectrometry (ICP-OES). In characterizing and differentiating base wines, elements found in higher and lower concentrations were, respectively, K, Mg, Ca and Ba, Fe, Sr, Al. Principal Component Analysis (PCA) showed that there is a natural separation tendency between wines from Serra do Nordeste and Serra do Sudeste. Five chemical descriptors were obtained by Discriminant Analysis (DA) for base wine from cv. Chardonnay (Mg, Ca, Mn, pH and alcohol) and six descriptors for base wine from cv, Pinot Noir (B, Mn, Fe, Na, pH and volatile acidity). These descriptors were capable of classify samples of base wines according to geographical origin. Mn and Mg elements seem to be the elements with higher discrimination capacity between base wines from Serra do Nordeste and Serra do Sudeste. In sparkling wines characterization and differentiation, element K was found in higher concentration in all samples and Ba, Cu and Li were found in lower concentrations. Hierarchical Cluster Analysis (HCA) and PCA showed that there is a natural separation tendency between sparkling wines from Brazil and Argentina and those from Chile, Spain and France. A classification of 100, 95, 84, 90 and 83 % was obtained by DA for sparkling wines produced in Brazil, Argentina, Chile, France and Spain, respectively. Elements Mn, Li, Sr and Mg were found as the best chemical descriptors for discriminating sparkling wines from these five countries.

O vinho possui uma composição química complexa que, além de água e etanol, contém grande variedade de substâncias orgânicas e inorgânicas. Esta composição é influenciada por diversos fatores correspondentes à área específica de produção, como características do solo, condições ambientais, cultivar da uva e o processo de elaboração do vinho. Assim, o estudo dos elementos minerais apresenta grande interesse, sendo utilizado, aliado a ferramentas de análise estatística multivariada, na diferenciação de vinhos de acordo com sua origem geográfica. Neste trabalho são apresentados dois estudos que caracterizaram e diferenciaram vinhos pela sua composição mineral. O primeiro teve por objetivo caracterizar e diferenciar vinhosbase (cvs. Chardonnay e Pinot Noir) provenientes da Serra do Nordeste e Serra do Sudeste do Rio Grande do Sul através de parâmetros físico-químicos e elementos minerais combinada com técnicas de análise multivariada. O segundo teve por objetivo caracterizar e diferenciar amostras de vinhos espumantes produzidos no Brasil, Argentina, Chile, Espanha e França a partir da composição mineral aliada a ferramentas de estatística multivariada. Os parâmetros físico-químicos foram avaliados por espectrofotometria no infravermelho e os elementos minerais por espectrometria de emissão ótica com plasma indutivamente acoplado (ICP-OES). Na caracterização e diferenciação dos vinhos-base os elementos encontrados em maiores concentrações foram o K, Mg e Ca, e em menores concentrações o Ba, Fe, Sr e Al. A Análise de Componentes Principais (ACP) mostrou que há uma tendência natural de separação entre os vinhos-base da Serra do Nordeste e Serra do Sudeste. Através da Análise Discriminante (AD) obteve-se para os vinhos-base da cv. Chardonnay cinco descritores químicos (Mg, Ca, Mn, pH e grau alcoólico) e para a cv. Pinot Noir seis descritores (B, Mn, Fe, Na, pH, acidez volátil) com capacidade de distinguir as amostras de vinhos-base de acordo com a origem geográfica. Os elementos Mn e Mg parecem ser os elementos com maior capacidade de discriminação entre os vinhos-base da Serra do Nordeste e Serra do Sudeste. No trabalho de caracterização e diferenciação dos vinhos espumantes, em todas as amostras o elemento K foi encontrado em maiores concentrações, e em menores concentrações os elementos Ba, Cu e Li. A Análise de Agrupamento Hierárquico (AAH) e a ACP demonstraram que há uma tendência natural de separação entre os vinhos espumantes do Brasil e Argentina daqueles dos outros 3 países. Através do emprego da AD obteve-se uma correta classificação de 100, 95, 84, 90, e 83 % para os vinhos espumantes do Brasil, Argentina, Chile, França e Espanha, respectivamente. Os elementos Mn, Li, Sr e Mg foram encontrados como melhores descritores químicos para a discriminação dos vinhos espumantes destes cinco países. / Wine presents a complex chemical composition containing, besides water and ethanol, a large variety of organic and inorganic compounds. This composition is influenced by several factors concerning to specific production area such as soil characteristics, environmental conditions, grape cultivar and winemaking practices. The study of mineral elements presents high interest, being used, when analyzed by multivariate statistics, for wine differentiation according to its geographical origin. Two studies characterizing and differentiating wines by their mineral composition are presented in this work. First study aimed to characterize and differentiate base wines (cvs. Chardonnay and Pinot Noir) from Serra do Nordeste and Serra do Sudeste of Rio Grande do Sul by physicochemical parameters and mineral elements analysis followed by multivariate statistics. Second study aimed to characterize and differentiate samples of sparkling wines produced in Brazil, Argentina, Chile, Spain and France by mineral composition analysis followed by multivariate statistics. Physicochemical parameters were evaluated by inductively coupled plasma optical emission spectrometry (ICP-OES). In characterizing and differentiating base wines, elements found in higher and lower concentrations were, respectively, K, Mg, Ca and Ba, Fe, Sr, Al. Principal Component Analysis (PCA) showed that there is a natural separation tendency between wines from Serra do Nordeste and Serra do Sudeste. Five chemical descriptors were obtained by Discriminant Analysis (DA) for base wine from cv. Chardonnay (Mg, Ca, Mn, pH and alcohol) and six descriptors for base wine from cv, Pinot Noir (B, Mn, Fe, Na, pH and volatile acidity). These descriptors were capable of classify samples of base wines according to geographical origin. Mn and Mg elements seem to be the elements with higher discrimination capacity between base wines from Serra do Nordeste and Serra do Sudeste. In sparkling wines characterization and differentiation, element K was found in higher concentration in all samples and Ba, Cu and Li were found in lower concentrations. Hierarchical Cluster Analysis (HCA) and PCA showed that there is a natural separation tendency between sparkling wines from Brazil and Argentina and those from Chile, Spain and France. A classification of 100, 95, 84, 90 and 83 % was obtained by DA for sparkling wines produced in Brazil, Argentina, Chile, France and Spain, respectively. Elements Mn, Li, Sr and Mg were found as the best chemical descriptors for discriminating sparkling wines from these five countries.

O vinho possui uma composição química complexa que, além de água e etanol, contém grande variedade de substâncias orgânicas e inorgânicas. Esta composição é influenciada por diversos fatores correspondentes à área específica de produção, como características do solo, condições ambientais, cultivar da uva e o processo de elaboração do vinho. Assim, o estudo dos elementos minerais apresenta grande interesse, sendo utilizado, aliado a ferramentas de análise estatística multivariada, na diferenciação de vinhos de acordo com sua origem geográfica. Neste trabalho são apresentados dois estudos que caracterizaram e diferenciaram vinhos pela sua composição mineral. O primeiro teve por objetivo caracterizar e diferenciar vinhosbase (cvs. Chardonnay e Pinot Noir) provenientes da Serra do Nordeste e Serra do Sudeste do Rio Grande do Sul através de parâmetros físico-químicos e elementos minerais combinada com técnicas de análise multivariada. O segundo teve por objetivo caracterizar e diferenciar amostras de vinhos espumantes produzidos no Brasil, Argentina, Chile, Espanha e França a partir da composição mineral aliada a ferramentas de estatística multivariada. Os parâmetros físico-químicos foram avaliados por espectrofotometria no infravermelho e os elementos minerais por espectrometria de emissão ótica com plasma indutivamente acoplado (ICP-OES). Na caracterização e diferenciação dos vinhos-base os elementos encontrados em maiores concentrações foram o K, Mg e Ca, e em menores concentrações o Ba, Fe, Sr e Al. A Análise de Componentes Principais (ACP) mostrou que há uma tendência natural de separação entre os vinhos-base da Serra do Nordeste e Serra do Sudeste. Através da Análise Discriminante (AD) obteve-se para os vinhos-base da cv. Chardonnay cinco descritores químicos (Mg, Ca, Mn, pH e grau alcoólico) e para a cv. Pinot Noir seis descritores (B, Mn, Fe, Na, pH, acidez volátil) com capacidade de distinguir as amostras de vinhos-base de acordo com a origem geográfica. Os elementos Mn e Mg parecem ser os elementos com maior capacidade de discriminação entre os vinhos-base da Serra do Nordeste e Serra do Sudeste. No trabalho de caracterização e diferenciação dos vinhos espumantes, em todas as amostras o elemento K foi encontrado em maiores concentrações, e em menores concentrações os elementos Ba, Cu e Li. A Análise de Agrupamento Hierárquico (AAH) e a ACP demonstraram que há uma tendência natural de separação entre os vinhos espumantes do Brasil e Argentina daqueles dos outros 3 países. Através do emprego da AD obteve-se uma correta classificação de 100, 95, 84, 90, e 83 % para os vinhos espumantes do Brasil, Argentina, Chile, França e Espanha, respectivamente. Os elementos Mn, Li, Sr e Mg foram encontrados como melhores descritores químicos para a discriminação dos vinhos espumantes destes cinco países. / Wine presents a complex chemical composition containing, besides water and ethanol, a large variety of organic and inorganic compounds. This composition is influenced by several factors concerning to specific production area such as soil characteristics, environmental conditions, grape cultivar and winemaking practices. The study of mineral elements presents high interest, being used, when analyzed by multivariate statistics, for wine differentiation according to its geographical origin. Two studies characterizing and differentiating wines by their mineral composition are presented in this work. First study aimed to characterize and differentiate base wines (cvs. Chardonnay and Pinot Noir) from Serra do Nordeste and Serra do Sudeste of Rio Grande do Sul by physicochemical parameters and mineral elements analysis followed by multivariate statistics. Second study aimed to characterize and differentiate samples of sparkling wines produced in Brazil, Argentina, Chile, Spain and France by mineral composition analysis followed by multivariate statistics. Physicochemical parameters were evaluated by inductively coupled plasma optical emission spectrometry (ICP-OES). In characterizing and differentiating base wines, elements found in higher and lower concentrations were, respectively, K, Mg, Ca and Ba, Fe, Sr, Al. Principal Component Analysis (PCA) showed that there is a natural separation tendency between wines from Serra do Nordeste and Serra do Sudeste. Five chemical descriptors were obtained by Discriminant Analysis (DA) for base wine from cv. Chardonnay (Mg, Ca, Mn, pH and alcohol) and six descriptors for base wine from cv, Pinot Noir (B, Mn, Fe, Na, pH and volatile acidity). These descriptors were capable of classify samples of base wines according to geographical origin. Mn and Mg elements seem to be the elements with higher discrimination capacity between base wines from Serra do Nordeste and Serra do Sudeste. In sparkling wines characterization and differentiation, element K was found in higher concentration in all samples and Ba, Cu and Li were found in lower concentrations. Hierarchical Cluster Analysis (HCA) and PCA showed that there is a natural separation tendency between sparkling wines from Brazil and Argentina and those from Chile, Spain and France. A classification of 100, 95, 84, 90 and 83 % was obtained by DA for sparkling wines produced in Brazil, Argentina, Chile, France and Spain, respectively. Elements Mn, Li, Sr and Mg were found as the best chemical descriptors for discriminating sparkling wines from these five countries.

This PhD. thesis is focused on application of different analytical techniques for determination of elemental composition of Moravian wine combined with analysis of selected polyphenol compounds. Two spectrometric techniques were used for elemental analysis of wine – Mass spectrometry and Optical emission spectrometry with inductively coupled plasma (ICP-MS and ICP-OES). Analysis of organic constituents of wine was evaluated by High performance liquid chromatograph with diode array detector (HPLC-DAD). Data from analysis of wine were used for construction of mathematical models for determining geographical origin of wine and for determining type of varietal wine. Data handling was performed by usage of multivariate statistical methods (cluster analysis, principal component analysis and canonical discriminant analysis). For the discrimination of wine by the geographical origin, two separate models for white and red wine were constructed. Effectiveness of discrimination of Moravian wine (with knowledge about origin) into 4 wine regions was 100 % successful for white wine and 96,43 % for red wine samples. Those models were used for cross validation test of unknown samples with result 95 % successfully classified samples of white wine and 82,15% of red wine. Besides that, mathematical model for discrimination and classification of varietal wine was made. Müller Thurgau, Riesling and Gruner Veltliner were discriminated by the usage of 8 elemental parameters. Discrimination success rate of known samples was evaluated by canonical discriminant analysis with 95,83% of correctly classified known samples and 70,83% of correctly classified unknown varietal wine (cross validation test). In addition to these part of research, impact of different grape production systems on elemental composition of wine and Vitis Vinifera was studied. The core of the study was to find the connections between the type of agriculture and chemical properties of wine and Vitis Vinifera. Two agriculture systems were assessed – Organic agriculture and Integrated pest management. . Results of this study showed that quantity and manner of pesticide application is very important factor affecting the final elemental composition of the grapevine and wine, especially the content of copper, zinc and manganese. That knowledge can be used in the future for creation of classification model of wine according to grape production system. For comparison of radical scavenging activity, electron paramagnetic resonance spectroscopy (EPR) with DPPH method was used. In the case of this study, the influence of vine growing under different farming systems on the total antioxidant activity of wine was found to be insignificant.

La globalizzazione del mercato agroalimentare ha determinato una crescente attenzione da parte dei consumatori verso i prodotti alimentari, non solo in termini di qualità e di sicurezza, ma anche di origine geografica. Infatti, il territorio d’origine ha un forte impatto sull’alimento, dovuto alle condizioni pedoclimatiche che ne determinano le caratteristiche. Poiché non esistono dei metodi analitici di routine per l’autenticazione della provenienza geografica, lo scopo del progetto di ricerca è quello di determinare l’origine geografica e l’autenticità degli alimenti mediante profiling dei composti fenolici e steroli, grazie all’applicazione di tecnologie omiche, tecniche statistiche e chemometriche. La componente fenolica e/o steroli dei campioni, viene analizzata tramite cromatografia liquida (UHPLC) accoppiata ad uno spettrometro di massa (Q-TOF-MS). I dati così ottenuti, vengono elaborati mediante statistica multivariata. L’applicazione combinata di avanzate tecnologie omiche e tecniche statistiche chemometriche ha portato come risultato l’effettiva identificazione della provenienza geografica e autenticità di numerose matrici alimentari. I dati ottenuti dimostrano che i metaboliti secondari possiedono proprietà discriminanti. L’approccio di metabolomica UHPLC/Q-TOF-MS combinato a una statistica multivariata risulta essere adeguato per identificare potenziali markers. Il lavoro attuale è focalizzato sulla ricerca di nuovi metaboliti che, insieme a fenoli e steroli possano confermare la potenza di questo approccio. / Nowadays, food traceability is a growing consumer interest worldwide. Food traceability could be considered a fundamental tool for ensuring safety and high quality of food. Food quality is based not only on the safety and integrity of food, but also on the authenticity, the genuineness of the raw material and the geographical origin. The aim of the work was to investigate the potential of untargeted metabolomics to ensure the authenticity and traceability of foods. Secondary metabolites, like polyphenols and sterols, could be conveniently used to meet this goal due to their chemical diversity and their responses to environmental stimuli. Samples were analyzed through UHPLC-ESI/QTOF-MS. The obtained data were subjected to multivariate statistical analysis. The obtained results showed that secondary metabolites can be efficiently used for authenticity and traceability purposes, with regards to cultivars and geographical origin. These information confirm the role of environmental factors in shaping the actual profile of secondary metabolites in plant foods. The markers found could be used for a target quantification method, a less expensive and less sophisticated analysis, in order to provide an efficient tool that could help to guarantee food quality on routine basis.