Cláudia Zini - Academia.edu (original) (raw)
Papers by Cláudia Zini
Food Additives & Contaminants: Part A, Oct 17, 2019
European Food Research and Technology, Jun 15, 2023
Food Research International, Dec 1, 2019
Analytical Chemistry, Sep 29, 2016
O Papel: revista mensal de tecnologia em celulose e papel, 2012
Food Additives & Contaminants: Part A, Oct 9, 2019
Holzforschung, Feb 29, 2000
Bench filtrates from three-stage conventional bleaching sequences (CEoD) with substitution degree... more Bench filtrates from three-stage conventional bleaching sequences (CEoD) with substitution degrees of chlorine by chlorine dioxide in the first stage equals to zero, 25 %, 75 % and 100 % have been analysed for their content of chlorinated phenolic compounds (CPCs). Alternatively, CPCs filtrates content of an AZEoPD sequence were also determined. A cellulose pulp obtained from a mixture of 85 % Eucalyptus saligna (young trees) and 15 % Acacia mearnsii delignified with oxygen (kappa number 10.0) was employed in all bleaching tests. Levels of CPCs were determined by using an in situ acetylation method followed by GC/ECD technique. GC/MS of bleaching filtrates was employed in qualitative analyses. CPCs content in filtrates and the Kovacs' equivalent toxicity for the total filtrates of the studied bleaching sequences are presented. The lowest content of CPCs was found in AZEoPD filtrates, as expected due to the utilised bleaching agents. CPCs were not detected in the filtrates of stage D from the AZEoPD sequence probably due to the low lignin content of the pulp. Mixed filtrates of the sequence DEoD, showed the lowest CPCs content among conventional bleachings. Results are in accordance with those found in the literature for hardwood and softwood pulp. The equivalent toxicity in the sequences Dc(75/25), DEoD and AZEoPD was found to be lower than the limit given by Kovacs to characterise chronical toxicity.
Journal of the Brazilian Chemical Society, 2018
Heat map and hierarchical cluster analysis showed that sparkling wines produced with immobilized ... more Heat map and hierarchical cluster analysis showed that sparkling wines produced with immobilized yeasts contained mostly higher levels of compounds that impart positive notes to wines. Fisher ratio pointed out nine volatile compounds as the main components responsible for differentiation of samples treated with mannoproteins/lees and others. Principal component analysis (PCA) showed differences between the sparkling wines produced with and without adjuvants (commercial mannoproteins or lees). Sparkling wines aged without adjuvants presented higher levels of decanoic and dodecanoic acids (fatty/metallic aroma), while the use of mannoproteins or lees resulted in higher content of some fruity esters, nerolidol and β-damascenone. Therefore, the combination of immobilized yeast and aging on mannoproteins or lees seems to be the most promising treatment to obtain the volatile profile that positively influence wine quality.
Journal of Chromatography A, Jun 1, 2019
Machine learning (ML) has been used previously to recognize particular patterns of constituent co... more Machine learning (ML) has been used previously to recognize particular patterns of constituent compounds. Here, ML is used with comprehensive chemical fingerprints that capture the distribution of all constituent compounds to flexibly perform various pattern recognition tasks. Such pattern recognition requires a sequence of chemical analysis, data analysis, and pattern analysis. Chemical analysis with comprehensive multidimensional chromatography is a maturing approach for highly effective separations of complex samples and so provides a solid foundation for undertaking comprehensive chemical fingerprinting. Data analysis with smart templates employs marker peaks and chemical logic for chromatographic alignment and peak-regions to delineate chromatographic windows in which analytes are quantified and matched consistently across chromatograms to create chemical profiles that serve as complete fingerprints. Pattern analysis uses ML techniques with the resulting fingerprints to recognize sample characteristics, e.g., for classification. Our experiments evaluated the effectiveness of seventeen different ML techniques for various classification problems with chemical fingerprints from a rich data set from 126 wine samples of different varieties, geographic regions, vintages, and wineries. Results of these experiments showed an accuracy range from 58% to 88% for different ML methods on the most difficult classification problems and 96% to 100% for different ML methods on the least difficult classification problems. Averaged over 14 classification problems, accuracy for the different methods ranged from 80% to 90%, with some relatively simple ML techniques among the top-performing methods.
Journal of the Brazilian Chemical Society, 2013
Food Additives & Contaminants: Part A, Nov 14, 2018
The objective of this research was to estimate for the first time the transformations that the fr... more The objective of this research was to estimate for the first time the transformations that the free form of some target carbonyl compounds may undergo during winemaking and assess the exposure risk to these compounds through the consumption of the Merlot commercial wines under study. Acrolein and furfural were found in grapes and the respective wines, although levels were observed to decline throughout the winemaking process. Formaldehyde was found in all stages of wine production in levels lower than the limit of quantification of the method and ethyl carbamate was not found in samples. Acetaldehyde seems to be a precursor of acetoin and 2,3-butanediol, since the levels of this aldehyde decreased along winemaking and the formation of the ester and alcohol was verified. Furfural levels decreased, while the occurrence of furan-containing compounds increased during winemaking. The formation of acetaldehyde during alcoholic fermentation and the potential environmental contamination of grapes with acrolein and furfural are considered as the critical points related to the presence of toxic carbonyl compounds in the wine. Acrolein was found in the samples under study in sufficient quantities to present risk to human health, while other potentially toxic carbonyl compounds did not result in risk. This study indicated for the first time the presence of acrolein in grapes suggesting that environmental pollution can play an important role in the levels of this aldehyde detected in wines. Reduction of the emission of this aldehyde to the environment may be achieved by replacing wood burning by another heat source in fireplaces or wood stones, and abandoning the practice of burning garbage and vegetation.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Aug 1, 2021
Tokaj wines could be produced only in so called Tokaj/Tokay wine region that falls within two cou... more Tokaj wines could be produced only in so called Tokaj/Tokay wine region that falls within two countries Slovakia and Hungary. Thus, wines bearing Tokaj appellation must be produced only in Hungary and Slovakia by traditional process. Unfortunately, some counterfeit wines from neighbour region in Ukraine could be found in market. The aim of this work is to explore a simple UV-VIS spectrum to recognise true Tokaj/Tokay wines from counterfeits and try to differentiate wines based on their country of origin. This type of question can be duly answered using one class classification approach. Two different approaches, Data Driven Soft Independent Modelling of Class Analogy - DD-SIMCA and One-Class Partial Least Squares - OC-PLS were tested and evaluated for this purpose. In both cases, rigorous way models were built and optimized using only samples of the target class. A set of external samples containing samples from target class and non-target were used to validate the models ability to recognize Slovak samples and reject non-Slovak samples. Model based on DD-SIMCA showed better performance (97% correct rating) compared to OC-PLS models (80% correct rating). Comparing both approaches in terms of sensitivity and specificity, both exhibit high sensitivity (low false negative rate: DD-SIMCA 95% and OC-PLS 100%), however the OC-PLS based model showed low specificity (40%) while DD-SIMCA showed high specificity (100%) rejecting all samples out of Slovak origin. Therefore, the results found in this study show that it is possible to successfully combine UV-VIS spectra and DD-SIMCA models to discriminate Tokaj wine samples of Slovak origin from others. Equally important is environmentally friendly (fast, simple, absence of solvents) classification method in line with green chemistry.
Journal of Separation Science, Aug 1, 2007
Food Research International, Sep 1, 2019
Matrix-compatible solid phase microextraction coating improves quantitative analysis of volatile ... more Matrix-compatible solid phase microextraction coating improves quantitative analysis of volatile profile throughout brewing stages, Food Research International,
Journal of the Brazilian Chemical Society, Apr 1, 2012
Pouco é conhecido sobre o aroma dos vinhos produzidos na região sul do Brasil, que é responsável ... more Pouco é conhecido sobre o aroma dos vinhos produzidos na região sul do Brasil, que é responsável por 90% da produção brasileira de vinho. Um método baseado na microextração em fase sólida no modo "headspace" (HS-SPME) foi desenvolvido para a extração de compostos voláteis e semivoláteis relacionados ao aroma de vinhos base, de cinco diferentes vinícolas do estado do Rio Grande do Sul (Brasil). A relação entre a composição volátil, qualidade aromática e avaliação sensorial dos vinhos Chardonnay foi investigada neste estudo. As condições otimizadas do método de HS-SPME foram: utilização da fibra DVB-CAR-PDMS, 1 mL de amostra, 30% de NaCl, 45 min de extração a 55 ºC, sem o uso de diluição e agitação da amostra. Dezoito compostos foram identificados e catorze foram tentativamente identificados. Os ésteres foram os compostos majoritários (56%) e os outros compostos minoritários pertencem à classe dos álcoois e ácidos. Os vinhos do Vale dos Vinhedos e de Pinto Bandeira apresentaram a mais alta pontuação em relação aos parâmetros sensorais avaliados. Estes vinhos foram caracterizados por altas concentrações de ésteres etílicos, o que contribui para o aroma frutado dos vinhos. Very little is known about the aroma of wines produced in the South part of Brazil, a region that is responsible for 90% of the Brazilian wine production. A headspace solid phase micro extraction (HS-SPME) method was developed for the extraction of volatile and semivolatile compounds related to the aroma of base wines of five different wineries of the state of Rio Grande do Sul (Brazil). The relationships among volatile composition, aroma quality and sensory evaluation of Chardonnay base wines were performed in this study. Optimum conditions for HS-SPME included use of DVB-CAR-PDMS coating, wine samples without further dilution, no stirring, sample volume of 1 mL, 30% of NaCl, extraction time and temperature of 45 min and 55 ºC, respectively. Eighteen compounds were identified and fourteen were tentatively identified in the samples. The majority (56%) of them was esters and other minor components were alcohols and acids. The sensory analysis of Vale dos Vinhedos and Pinto Bandeira samples showed the highest quality scores, characterized by higher concentrations of ethyl esters, which contributes to the fruity aroma of these wines.
Food Additives & Contaminants: Part A, Oct 17, 2019
European Food Research and Technology, Jun 15, 2023
Food Research International, Dec 1, 2019
Analytical Chemistry, Sep 29, 2016
O Papel: revista mensal de tecnologia em celulose e papel, 2012
Food Additives & Contaminants: Part A, Oct 9, 2019
Holzforschung, Feb 29, 2000
Bench filtrates from three-stage conventional bleaching sequences (CEoD) with substitution degree... more Bench filtrates from three-stage conventional bleaching sequences (CEoD) with substitution degrees of chlorine by chlorine dioxide in the first stage equals to zero, 25 %, 75 % and 100 % have been analysed for their content of chlorinated phenolic compounds (CPCs). Alternatively, CPCs filtrates content of an AZEoPD sequence were also determined. A cellulose pulp obtained from a mixture of 85 % Eucalyptus saligna (young trees) and 15 % Acacia mearnsii delignified with oxygen (kappa number 10.0) was employed in all bleaching tests. Levels of CPCs were determined by using an in situ acetylation method followed by GC/ECD technique. GC/MS of bleaching filtrates was employed in qualitative analyses. CPCs content in filtrates and the Kovacs' equivalent toxicity for the total filtrates of the studied bleaching sequences are presented. The lowest content of CPCs was found in AZEoPD filtrates, as expected due to the utilised bleaching agents. CPCs were not detected in the filtrates of stage D from the AZEoPD sequence probably due to the low lignin content of the pulp. Mixed filtrates of the sequence DEoD, showed the lowest CPCs content among conventional bleachings. Results are in accordance with those found in the literature for hardwood and softwood pulp. The equivalent toxicity in the sequences Dc(75/25), DEoD and AZEoPD was found to be lower than the limit given by Kovacs to characterise chronical toxicity.
Journal of the Brazilian Chemical Society, 2018
Heat map and hierarchical cluster analysis showed that sparkling wines produced with immobilized ... more Heat map and hierarchical cluster analysis showed that sparkling wines produced with immobilized yeasts contained mostly higher levels of compounds that impart positive notes to wines. Fisher ratio pointed out nine volatile compounds as the main components responsible for differentiation of samples treated with mannoproteins/lees and others. Principal component analysis (PCA) showed differences between the sparkling wines produced with and without adjuvants (commercial mannoproteins or lees). Sparkling wines aged without adjuvants presented higher levels of decanoic and dodecanoic acids (fatty/metallic aroma), while the use of mannoproteins or lees resulted in higher content of some fruity esters, nerolidol and β-damascenone. Therefore, the combination of immobilized yeast and aging on mannoproteins or lees seems to be the most promising treatment to obtain the volatile profile that positively influence wine quality.
Journal of Chromatography A, Jun 1, 2019
Machine learning (ML) has been used previously to recognize particular patterns of constituent co... more Machine learning (ML) has been used previously to recognize particular patterns of constituent compounds. Here, ML is used with comprehensive chemical fingerprints that capture the distribution of all constituent compounds to flexibly perform various pattern recognition tasks. Such pattern recognition requires a sequence of chemical analysis, data analysis, and pattern analysis. Chemical analysis with comprehensive multidimensional chromatography is a maturing approach for highly effective separations of complex samples and so provides a solid foundation for undertaking comprehensive chemical fingerprinting. Data analysis with smart templates employs marker peaks and chemical logic for chromatographic alignment and peak-regions to delineate chromatographic windows in which analytes are quantified and matched consistently across chromatograms to create chemical profiles that serve as complete fingerprints. Pattern analysis uses ML techniques with the resulting fingerprints to recognize sample characteristics, e.g., for classification. Our experiments evaluated the effectiveness of seventeen different ML techniques for various classification problems with chemical fingerprints from a rich data set from 126 wine samples of different varieties, geographic regions, vintages, and wineries. Results of these experiments showed an accuracy range from 58% to 88% for different ML methods on the most difficult classification problems and 96% to 100% for different ML methods on the least difficult classification problems. Averaged over 14 classification problems, accuracy for the different methods ranged from 80% to 90%, with some relatively simple ML techniques among the top-performing methods.
Journal of the Brazilian Chemical Society, 2013
Food Additives & Contaminants: Part A, Nov 14, 2018
The objective of this research was to estimate for the first time the transformations that the fr... more The objective of this research was to estimate for the first time the transformations that the free form of some target carbonyl compounds may undergo during winemaking and assess the exposure risk to these compounds through the consumption of the Merlot commercial wines under study. Acrolein and furfural were found in grapes and the respective wines, although levels were observed to decline throughout the winemaking process. Formaldehyde was found in all stages of wine production in levels lower than the limit of quantification of the method and ethyl carbamate was not found in samples. Acetaldehyde seems to be a precursor of acetoin and 2,3-butanediol, since the levels of this aldehyde decreased along winemaking and the formation of the ester and alcohol was verified. Furfural levels decreased, while the occurrence of furan-containing compounds increased during winemaking. The formation of acetaldehyde during alcoholic fermentation and the potential environmental contamination of grapes with acrolein and furfural are considered as the critical points related to the presence of toxic carbonyl compounds in the wine. Acrolein was found in the samples under study in sufficient quantities to present risk to human health, while other potentially toxic carbonyl compounds did not result in risk. This study indicated for the first time the presence of acrolein in grapes suggesting that environmental pollution can play an important role in the levels of this aldehyde detected in wines. Reduction of the emission of this aldehyde to the environment may be achieved by replacing wood burning by another heat source in fireplaces or wood stones, and abandoning the practice of burning garbage and vegetation.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Aug 1, 2021
Tokaj wines could be produced only in so called Tokaj/Tokay wine region that falls within two cou... more Tokaj wines could be produced only in so called Tokaj/Tokay wine region that falls within two countries Slovakia and Hungary. Thus, wines bearing Tokaj appellation must be produced only in Hungary and Slovakia by traditional process. Unfortunately, some counterfeit wines from neighbour region in Ukraine could be found in market. The aim of this work is to explore a simple UV-VIS spectrum to recognise true Tokaj/Tokay wines from counterfeits and try to differentiate wines based on their country of origin. This type of question can be duly answered using one class classification approach. Two different approaches, Data Driven Soft Independent Modelling of Class Analogy - DD-SIMCA and One-Class Partial Least Squares - OC-PLS were tested and evaluated for this purpose. In both cases, rigorous way models were built and optimized using only samples of the target class. A set of external samples containing samples from target class and non-target were used to validate the models ability to recognize Slovak samples and reject non-Slovak samples. Model based on DD-SIMCA showed better performance (97% correct rating) compared to OC-PLS models (80% correct rating). Comparing both approaches in terms of sensitivity and specificity, both exhibit high sensitivity (low false negative rate: DD-SIMCA 95% and OC-PLS 100%), however the OC-PLS based model showed low specificity (40%) while DD-SIMCA showed high specificity (100%) rejecting all samples out of Slovak origin. Therefore, the results found in this study show that it is possible to successfully combine UV-VIS spectra and DD-SIMCA models to discriminate Tokaj wine samples of Slovak origin from others. Equally important is environmentally friendly (fast, simple, absence of solvents) classification method in line with green chemistry.
Journal of Separation Science, Aug 1, 2007
Food Research International, Sep 1, 2019
Matrix-compatible solid phase microextraction coating improves quantitative analysis of volatile ... more Matrix-compatible solid phase microextraction coating improves quantitative analysis of volatile profile throughout brewing stages, Food Research International,
Journal of the Brazilian Chemical Society, Apr 1, 2012
Pouco é conhecido sobre o aroma dos vinhos produzidos na região sul do Brasil, que é responsável ... more Pouco é conhecido sobre o aroma dos vinhos produzidos na região sul do Brasil, que é responsável por 90% da produção brasileira de vinho. Um método baseado na microextração em fase sólida no modo "headspace" (HS-SPME) foi desenvolvido para a extração de compostos voláteis e semivoláteis relacionados ao aroma de vinhos base, de cinco diferentes vinícolas do estado do Rio Grande do Sul (Brasil). A relação entre a composição volátil, qualidade aromática e avaliação sensorial dos vinhos Chardonnay foi investigada neste estudo. As condições otimizadas do método de HS-SPME foram: utilização da fibra DVB-CAR-PDMS, 1 mL de amostra, 30% de NaCl, 45 min de extração a 55 ºC, sem o uso de diluição e agitação da amostra. Dezoito compostos foram identificados e catorze foram tentativamente identificados. Os ésteres foram os compostos majoritários (56%) e os outros compostos minoritários pertencem à classe dos álcoois e ácidos. Os vinhos do Vale dos Vinhedos e de Pinto Bandeira apresentaram a mais alta pontuação em relação aos parâmetros sensorais avaliados. Estes vinhos foram caracterizados por altas concentrações de ésteres etílicos, o que contribui para o aroma frutado dos vinhos. Very little is known about the aroma of wines produced in the South part of Brazil, a region that is responsible for 90% of the Brazilian wine production. A headspace solid phase micro extraction (HS-SPME) method was developed for the extraction of volatile and semivolatile compounds related to the aroma of base wines of five different wineries of the state of Rio Grande do Sul (Brazil). The relationships among volatile composition, aroma quality and sensory evaluation of Chardonnay base wines were performed in this study. Optimum conditions for HS-SPME included use of DVB-CAR-PDMS coating, wine samples without further dilution, no stirring, sample volume of 1 mL, 30% of NaCl, extraction time and temperature of 45 min and 55 ºC, respectively. Eighteen compounds were identified and fourteen were tentatively identified in the samples. The majority (56%) of them was esters and other minor components were alcohols and acids. The sensory analysis of Vale dos Vinhedos and Pinto Bandeira samples showed the highest quality scores, characterized by higher concentrations of ethyl esters, which contributes to the fruity aroma of these wines.