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1.
Molecules ; 28(10)2023 May 19.
Artigo em Inglês | MEDLINE | ID: mdl-37241941

RESUMO

The globalisation of the beer market forces brewers to have methodologies that rapidly evaluate the evolution of beer flavour stability. Commonly used forced ageing methods have limitations since temperature and transportation conditions (temperature, vibrations, long-distance travel, and other factors) impact beer quality. This study assessed the prediction power of a forced ageing methodology on the evolution of aldehydes during maritime transportation across four sample groups (maritime transport, storage simulation, and three ageing periods: 7, 21, and 28 days at 37 °C), which differed in their bottle-opening system (either crown cap or ring pull cap). The results revealed that forced ageing up to 28 days could estimate the evolution of phenylacetaldehyde, 3-methylbutanal, 2-methylpropanal, and hexanal during maritime transport. In contrast, the benzaldehyde content was consistently underestimated, on average, 0.8 times lower. In general, the ageing conditions significantly favoured the formation or liberation from a bound state, up to 2.2 times higher, of trans-2-nonenal, acetaldehyde, and 5-hydroximethylfurfural in comparison to the levels registered on exportation simulation beers. Moreover, forced-aged beers with ring pull caps developed quantifiable levels of nonanal and increased phenylacetaldehyde, benzaldehyde, and acetaldehyde content over time. Moreover, thermal stress induced a continuous increase in the extent of beer staling, up to seven times higher, in most samples.

2.
Molecules ; 27(3)2022 Jan 18.
Artigo em Inglês | MEDLINE | ID: mdl-35163867

RESUMO

Beer flavor stability is greatly influenced by external temperature, vibrations, and longer delivery times. The present study assessed the impact of transport and storage conditions on staling aldehyde evolution in lager beers across five sample groups (fresh, transport, and storage simulation, and their controls), which differed in their bottle opening system (either crown cap or ring pull cap). Maritime transport conditions (45 days of travel, vibrations of 1.7 Hz, and warm temperatures (21-30 °C)) were simulated, together with storage time in a distributor's warehouse (up to 75 days). The results revealed that the concentration of Strecker aldehydes increased more quickly after transport and storage simulation in beer bottles with the ring pull cap opening system, and the contents of 2-methylpropanal and 3-methylbutanal, in particular, were up to three times higher. Benzaldehyde content also increased significantly, by 33% on average, in these samples. Hexanal was only found in beers with a ring pull cap that underwent transport simulation. Further storage after transport simulation significantly reduced the content of 2-methylpropanal, 3-methylbutanal, and hexanal, by 73%, 57%, and 43%, respectively, suggesting the formation of a bound state. 5-hydroxymethylfurfural was continuously increased by 78.5% and 40.5% after the Transport and Transport & Storage simulations, respectively. Transport conditions lead to a slight increase, of 0.6 EBC units, in beer color.


Assuntos
Aldeídos/análise , Cerveja/análise , Cerveja/normas , Aromatizantes/análise , Armazenamento de Alimentos/métodos , Meios de Transporte/métodos , Paladar , Temperatura
3.
Eur Radiol ; 27(7): 2737-2743, 2017 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-27807699

RESUMO

EUSOBI and 30 national breast radiology bodies support mammography for population-based screening, demonstrated to reduce breast cancer (BC) mortality and treatment impact. According to the International Agency for Research on Cancer, the reduction in mortality is 40 % for women aged 50-69 years taking up the invitation while the probability of false-positive needle biopsy is <1 % per round and overdiagnosis is only 1-10 % for a 20-year screening. Mortality reduction was also observed for the age groups 40-49 years and 70-74 years, although with "limited evidence". Thus, we firstly recommend biennial screening mammography for average-risk women aged 50-69 years; extension up to 73 or 75 years, biennially, is a second priority, from 40-45 to 49 years, annually, a third priority. Screening with thermography or other optical tools as alternatives to mammography is discouraged. Preference should be given to population screening programmes on a territorial basis, with double reading. Adoption of digital mammography (not film-screen or phosphor-plate computer radiography) is a priority, which also improves sensitivity in dense breasts. Radiologists qualified as screening readers should be involved in programmes. Digital breast tomosynthesis is also set to become "routine mammography" in the screening setting in the next future. Dedicated pathways for high-risk women offering breast MRI according to national or international guidelines and recommendations are encouraged. KEY POINTS: • EUSOBI and 30 national breast radiology bodies support screening mammography. • A first priority is double-reading biennial mammography for women aged 50-69 years. • Extension to 73-75 and from 40-45 to 49 years is also encouraged. • Digital mammography (not film-screen or computer radiography) should be used. • DBT is set to become "routine mammography" in the screening setting in the next future.


Assuntos
Neoplasias da Mama/diagnóstico por imagem , Detecção Precoce de Câncer/métodos , Mamografia/métodos , Programas de Rastreamento/organização & administração , Adulto , Idoso , Neoplasias da Mama/prevenção & controle , Europa (Continente) , Feminino , Humanos , Pessoa de Meia-Idade , Oriente Médio
4.
Molecules ; 18(3): 2997-3017, 2013 Mar 05.
Artigo em Inglês | MEDLINE | ID: mdl-23462532

RESUMO

Polyphenols, antioxidant potential and color of three types of fortified Madeira wines were evaluated during the accelerated ageing, named as estufagem. The traditional estufagem process was set to 45 °C for 3 months. Overheating conditions, 1 month at 70 °C, were also examined. Total polyphenols (TP), total monomeric anthocyanins (TMA) and total flavonoids (TF) were assessed by spectrophotometric methods, while individual polyphenols and furans were simultaneously determined by HPLC-DAD. Antioxidant potential (AP) was estimated by ABTS, DPPH and FRAP assays, while color was evaluated by Glories and CIELab. Traditional estufagem decreased the TP and AP up to 20% and 26%, respectively, with final values similar to other wines. TMA of the Madeira wines from red grapes decreased during estufagem. Six hydroxybenzoic acids, three hydroxycinnamic acids, one stilbene, three flavonols and three flavan-3-ols were found in these wines. The prominent phenolics were hydroxycinnamates and hydroxybenzoates, even after estufagem. Most polyphenols decreased, with the exception of caffeic, ferulic, p-coumaric, gallic and syringic acids. Finally, both chromatic systems revealed that all wines tended to similar chromatic characteristics after estufagem. The study suggests that estufagem can be applied without high impact on polyphenols and antioxidant potential of these fortified wines.


Assuntos
Antioxidantes/análise , Polifenóis/análise , Vinho/análise , Antocianinas/análise , Cor , Flavonoides/análise , Furanos/análise , Temperatura , Fatores de Tempo
5.
Cureus ; 15(2): e35130, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36945277

RESUMO

Haemophagocytic lymphohistiocytosis is a syndrome of excessive immunological activation that can be triggered by various diseases, including haematological cancers. We report a case of a 25-year-old woman presenting with constitutional symptoms and a painful thoracic mass of four months duration. Laboratory exams showed pancytopenia, hypertriglyceridemia and extremely high serum ferritin levels. A whole-body computed tomography (CT) scan revealed splenomegaly and highlighted the mass on the deep tissues of the left breast; the biopsy was compatible with anaplastic large-cell lymphoma. Additionally, a bone marrow biopsy revealed haemophagocytosis, fulfilling the criteria for associated haemophagocytic lymphohistiocytosis. The patient was quickly sent for chemotherapy followed by autologous haematopoietic cell transplantation. She achieved a complete metabolic response and has been in clinical remission after nearly four years of follow-up. We emphasise the benefit of a timely diagnosis and intervention which were the keys to success in this case.

6.
J Sep Sci ; 33(9): 1204-15, 2010 May.
Artigo em Inglês | MEDLINE | ID: mdl-20235134

RESUMO

This article proposes a simple and sensitive HPLC method with photo-diode array detection for the analysis of organic acids, monomeric polyphenols and furanic compounds in wine samples by direct injection. The chromatographic separation of 8 organic acids, 2 furans and 22 phenolic compounds was carried out with a buffered solution (pH 2.70) and acetonitrile as mobile phases and a difunctionally bonded C18 stationary phase, Atlantis dC18 (250x4.6 mm, 5 mum) column. The elution was performed in 12 min for the organic acids and in 60 min for the phenolic compounds, including phenolic acids, stilbenes and flavonoids. Target compounds were detected at 210 nm (organic acids, flavan-3-ols and benzoic acids), 254 nm (ellagic acid), 280 nm (furans and cinnamic acid), 315 nm (hydroxycinnamic acids and trans-resveratrol) and 360 nm (flavonoids). The RSD for the repeatability test (n=5) of peak area and retention times were below 3.1 and 0.3%, respectively, for phenolics and below 1.0 and 0.2% for organic acids. The RSDs expressing the reproducibility of the method were higher than for the repeatability results but all below 9.0%. Method accuracy was evaluated by the recovery results, with averaged values between 80 and 104% for polyphenols and 97-105% for organic acids. The calibration curves, obtained by triplicate injection of standard solutions, showed good linearity with regression coefficients higher than 0.9982 for polyphenols and 0.9997 for organic acids. The LOD was in the range of 0.07-0.49 mg/L for polyphenols (cinnamic and gallic acids, respectively) and 0.001-0.046 g/L for organic acids (oxalic and lactic acids, respectively). The method was successfully used to measure and assess the polyphenolic fingerprint and organic acids profile of red, white, rosé and fortified wines.

7.
Food Chem ; 317: 126466, 2020 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-32114273

RESUMO

Despite the literature comprises numerous studies dealing with the analysis of wort and beer flavour-related compounds by HS-SPME followed by GC-MS quantification, no generalized consensus exists regarding the optimal conditions for the extraction procedure. The complex chemistry nature of these matrices, the number of analytes, as well as the number and interactions among parameters affecting the extraction performance, requires the adoption of optimal experimental design protocols. This aspect is often overlooked and often not properly addressed in practice. Therefore, in the present work, the optimal conditions under which a range of wort and beer analytes can be extracted and quantified were analysed. The optimal extraction conditions were presented at two levels of aggregation: global (untargeted) and key-flavour analysis. Experimental data was generated by Definitive-Screening-Design, followed by model development and optimization. Both approaches were compared and critically analysed. For vicinal-diketones group, a complete validation study for the optimal conditions is presented.


Assuntos
Cerveja/análise , Análise de Alimentos/métodos , Microextração em Fase Sólida/métodos , Compostos Orgânicos Voláteis/análise , Diacetil/análise , Diacetil/isolamento & purificação , Cromatografia Gasosa-Espectrometria de Massas/métodos , Cetonas/análise , Pentanonas/análise , Pentanonas/isolamento & purificação , Reprodutibilidade dos Testes , Paladar , Compostos Orgânicos Voláteis/isolamento & purificação
8.
Biomolecules ; 9(11)2019 11 09.
Artigo em Inglês | MEDLINE | ID: mdl-31717547

RESUMO

Madeira wine (MW) oxidative aging results in the formation of several key aromas. Little is still known about their odor relevance to the aroma of the most commercialized MWs. This report presents an in-depth study of the odor impact of sotolon in MW blends. First, its odor perception was estimated in MWs according to ASTM E679, testing different 3-year-old (3-yo) commercial blends. The odor relevance of sotolon in the aroma of 3-, 5-, and 10-yo commercial blends (89 MWs) was then appraised by calculating its Odor Activity Value (OAV), after determining its content by RP-HPLC-MS/MS. The sotolon odor perception in MW was as low as 23 µg/L, although it was found that little differences in the wine matrix influenced its perception. OAVs varied between 0.1 and 22, increasing with the blend age. Considering that 16% of the OAVs are higher than 10 (mostly ≥ 10-yo), sotolon was found to be a key contributor to the overall aroma MW blends.


Assuntos
Furanos/química , Odorantes/análise , Vinho , Cromatografia Líquida de Alta Pressão , Furanos/isolamento & purificação , Cromatografia Gasosa-Espectrometria de Massas , Humanos , Oxirredução , Espectrometria de Massas em Tandem
9.
J Sep Sci ; 31(12): 2189-98, 2008 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-18563759

RESUMO

A RP-HPLC method with photodiode array detection (DAD) was developed to separate, identify and quantify simultaneously the most representative phenolic compounds present in Madeira and Canary Islands wines. The optimized chromatographic method was carefully validated in terms of linearity, precision, accuracy and sensitivity. A high repeatability and a good stability of phenolics retention times (< 3%) were obtained, as well as relative peak area. Also high recoveries were achieved, over 80.3%. Polyphenols calibration curves showed a good linearity (r(2) >0.994) within test ranges. Detection limits ranged between 0.03 and 11.5 microg/mL for the different polyphenols. A good repeatability was obtained, with intra-day variations less than 7.9%. The described method was successfully applied to quantify several polyphenols in 26 samples of different kinds of wine (red, rosé and white wines) from Madeira and Canary Islands. Gallic acid was by far the most predominant acid. It represents more than 65% of all phenolics, followed by p-coumaric and caffeic acids. The major flavonoid found in Madeira wines was trans-resveratrol. In some wines, (-)-epicatechin was also found in highest amount. Canary wines were shown to be rich in gallic, caffeic and p-coumaric acids and quercetin.

10.
J Anal Methods Chem ; 2018: 4393040, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-30647986

RESUMO

Sotolon (4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one) is a powerful odorant usually pointed out as being responsible not only for the characteristic curry notes of the finest fortified wines but also for the off-flavour notes in prematurely oxidized white wines. Most methods reported in literature for quantifying sotolon in wines are quite laborious and use large volumes of organic solvents. Thus, in the present study, the development of a simple, fast, and environment-friendly method for the quantification of sotolon in fortified wine is herein presented. The proposed method uses a single-step liquid-liquid extraction followed by RP-LC-MS/MS and was optimized using a full factorial design. The method showed good linearity (R 2 = 0.9999), intra- and interday precision lower than 10% RSD, recovery of about 95%, and high sensitivity (LOQ of 0.04 µg/L). The method was applied to analyse 44 fortified wines from different styles (from dry to sweet wines) and ages (3-115 years old), and it was found that it covers the concentration range usually found for this compound in this kind of alcoholic beverages, which was found to be within 6.3-810 µg/L. Thus, it can be concluded that this method can be used as an accurate tool for the rapid analysis of sotolon, since the early stages of its formation up to long ageing periods.

11.
J Food Sci ; 82(11): 2554-2561, 2017 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-28960302

RESUMO

Blueberries have a well-deserved reputation as a potential functional food, supported by studies which have identified and quantified various nutrients and bioactive phytochemicals with known benefits for human diet and health. Wild blueberries have attracted particular attention due to the levels and concentrations of those phytonutrients. This study aims to evaluate for the first time the chemical composition of Madeira Island's endemic Vaccinium padifolium Sm wild berry. Results show that this fruit contains high values of total soluble phenolic content (around 4 g GAE kg-1 FW), as well as significant values of total monomeric anthocyanin content (around 3 g eq. cyanidin kg-1 FW) and DPPH scavenging activity (around 86.72%). Additionally, results reveal that this fruit has water content of about 88% as well as low sugar content (17.98 and 29.73 g kg-1 for glucose and fructose, respectively). Results also confirm that this wild blueberry is a good source of dietary fiber, fat and minerals. The high level of terpenoid compounds stands out in the aroma profile analysis. PRACTICAL APPLICATION: This study is in line with the efforts of the scientific community to identify new sources of phytonutrients that are beneficial to human health, characterizing the wild Madeira blueberry in terms of phytonutrients that suggest there may be health benefits associated with its consumption. The findings of this research are very important for both the commercial and agricultural sectors that produce this fruit, and for consumers who seek phytonutrient-rich foods.


Assuntos
Antioxidantes/análise , Frutas/química , Valor Nutritivo , Compostos Fitoquímicos/análise , Vaccinium/química , Antocianinas/análise , Mirtilos Azuis (Planta)/química , Sequestradores de Radicais Livres/química , Alimento Funcional/análise , Humanos , Fenóis/análise , Extratos Vegetais/química , Portugal
12.
Anal Chim Acta ; 887: 101-110, 2015 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-26320791

RESUMO

Vicinal diketones, namely diacetyl (DC) and pentanedione (PN), are compounds naturally found in beer that play a key role in the definition of its aroma. In lager beer, they are responsible for off-flavors (buttery flavor) and therefore their presence and quantification is of paramount importance to beer producers. Aiming at developing an accurate quantitative monitoring scheme to follow these off-flavor compounds during beer production and in the final product, the head space solid-phase microextraction (HS-SPME) analytical procedure was tuned through experiments planned in an optimal way and the final settings were fully validated. Optimal design of experiments (O-DOE) is a computational, statistically-oriented approach for designing experiences that are most informative according to a well-defined criterion. This methodology was applied for HS-SPME optimization, leading to the following optimal extraction conditions for the quantification of VDK: use a CAR/PDMS fiber, 5 ml of samples in 20 ml vial, 5 min of pre-incubation time followed by 25 min of extraction at 30 °C, with agitation. The validation of the final analytical methodology was performed using a matrix-matched calibration, in order to minimize matrix effects. The following key features were obtained: linearity (R(2) > 0.999, both for diacetyl and 2,3-pentanedione), high sensitivity (LOD of 0.92 µg L(-1) and 2.80 µg L(-1), and LOQ of 3.30 µg L(-1) and 10.01 µg L(-1), for diacetyl and 2,3-pentanedione, respectively), recoveries of approximately 100% and suitable precision (repeatability and reproducibility lower than 3% and 7.5%, respectively). The applicability of the methodology was fully confirmed through an independent analysis of several beer samples, with analyte concentrations ranging from 4 to 200 g L(-1).


Assuntos
Cerveja/análise , Diacetil/análise , Cromatografia Gasosa-Espectrometria de Massas/métodos , Pentanonas/análise , Microextração em Fase Sólida/métodos , Desenho de Equipamento , Limite de Detecção , Reprodutibilidade dos Testes , Microextração em Fase Sólida/instrumentação
13.
J Agric Food Chem ; 52(22): 6765-9, 2004 Nov 03.
Artigo em Inglês | MEDLINE | ID: mdl-15506814

RESUMO

The maturation of Madeira wines usually involves exposure to relatively high temperatures and humidity levels >70%, which affect the aroma and flavor composition and lead to the formation of the typical and characteristic bouquet of these wines. To estimate the levels of sotolon [3-hydroxy-4,5-dimethyl-2(5H)-furanone] and their behavior over time, 86 aged Madeira wines samples (1-25 years old), with different sugar concentrations, respectively, 90 g L(-)(1) for Boal, 110 g L(-)(1) for Malvazia, 25 g L(-)(1) for Sercial, and 65 g L(-)(1) for Verdelho varieties, were analyzed. Isolation was performed by liquid-liquid extraction with dichloromethane followed by chromatographic analysis by GC-MS. The reproducibility of the method was found to be 4.9%. The detection and quantification limits were 1.2 and 2.0 microg L(-)(1), respectively. The levels of sotolon found ranged from not detected to 2000 microg L(-)(1) for wines between 1 and 25 years old. It was observed that during aging, the concentration of sotolon increased with time in a linear fashion (r = 0.917). The highest concentration of sotolon was found in wines with the highest residual sugar contents, considering the same time of storage. The results show that there is a strong correlation between sotolon and sugar derivatives: furfural, 5-methylfurfural, 5-hydroxymethylfurfural, and 5-ethoxymethylfurfural. These compounds are also well correlated with wine aging. These findings indicate that the kinetics of sotolon formation is closely related with residual sugar contents, suggesting that this molecule may come from a component like sugar.


Assuntos
Carboidratos/análise , Furanos/análise , Vinho/análise , Cromatografia Gasosa-Espectrometria de Massas , Odorantes/análise , Paladar , Fatores de Tempo
14.
Food Chem ; 162: 122-34, 2014 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-24874367

RESUMO

The evolution of monovarietal fortified Madeira wines forced-aged by traditional thermal processing (estufagem) were studied in terms of volatiles. SPE extracts were analysed by GC-MS before and after heating at 45 °C for 3 months (standard) and at 70 °C for 1 month (overheating). One hundred and ninety volatile compounds were identified, 53 of which were only encountered in baked wines. Most chemical families increased after standard heating, especially furans and esters, up to 61 and 3-fold, respectively. On the contrary, alcohols, acetates and fatty acids decreased after heating. Varietal aromas, such as Malvasia's monoterpenic alcohols were not detected after baking. The accelerated ageing favoured the development of some volatiles previously reported as typical aromas of finest Madeira wines, particularly phenylacetaldeyde, ß-damascenone and 5-ethoxymethylfurfural. Additionally, ethyl butyrate, ethyl 2-methylbutyrate, ethyl caproate, ethyl isovalerate, guaiacol, 5-hydroxymethylfurfural and γ-decalactone were also found as potential contributors to the global aroma of baked wines.


Assuntos
Cromatografia Gasosa-Espectrometria de Massas/métodos , Odorantes/análise , Vinho/análise , Análise de Alimentos , Humanos , Portugal
15.
Anal Chim Acta ; 811: 29-35, 2014 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-24456591

RESUMO

This work presents a new methodology to quantify ethyl carbamate (EC) in fortified wines. The presented approach combines the microextraction by packed sorbent (MEPS), using a hand-held automated analytical syringe, with one-dimensional gas chromatography coupled with mass spectrometry detection (GC-MS). The performance of different MEPS sorbent materials was tested, namely SIL, C2, C8, C18, and M1. Also, several extraction solvents and the matrix effect were evaluated. Experimental data showed that C8 and dichloromethane were the best sorbent/solvent pair to extract EC. Concerning solvent and sample volumes optimization used in MEPS extraction an experimental design (DoE) was carried out. The best extraction yield was achieved passing 300 µL of sample and 100 µL of dichloromethane. The method validation was performed using a matrix-matched calibration using both sweet and dry fortified wines, to minimize the matrix effect. The proposed methodology presented good linearity (R(2)=0.9999) and high sensitivity, with quite low limits of detection (LOD) and quantification (LOQ), 1.5 µg L(-1) and 4.5 µg L(-1), respectively. The recoveries varied between 97% and 106%, while the method precision (repeatability and reproducibility) was lower than 7%. The applicability of the methodology was confirmed through the analysis of 16 fortified wines, with values ranging between 7.3 and 206 µg L(-1). All chromatograms showed good peak resolution, confirming its selectivity. The developed MEPS/GC-MS methodology arises as an important tool to quantify EC in fortified wines, combining efficiency and effectiveness, with simpler, faster and affordable analytical procedures that provide great sensitivity without using sophisticated and expensive equipment.


Assuntos
Cromatografia Gasosa-Espectrometria de Massas , Uretana/análise , Vinho/análise , Automação , Calibragem , Cromatografia Gasosa-Espectrometria de Massas/normas , Limite de Detecção , Microextração em Fase Sólida , Solventes/química , Uretana/isolamento & purificação , Uretana/normas
16.
Talanta ; 86: 293-304, 2011 Oct 30.
Artigo em Inglês | MEDLINE | ID: mdl-22063544

RESUMO

Wine age prediction based on its intrinsic characteristics can provide significant assistance to oenologists' quality evaluations, concerning wine ageing process control and wine quality assurance. Simpler, faster, cheaper and affordable analytical procedures would be greatly welcome to establish such a practice. In this study, we present a new and reliable strategy to predict wine age, in the long and short-term, centered on the use of wine UV-vis absorbance data, coupled with proper chemometric techniques. The strategy followed consists essentially in first pre-processing the UV-vis data, secondly to carry out variable selection over such pre-processed data sets, and finally to use the set of selected variables for developing a PLS model focused on wine age prediction. We tested different data pre-processing methodologies, namely first and second derivatives, multiplicative scatter correction, standard normal variate and orthogonal signal correction, as well as different variable selection approaches, specifically interval partial least squares, VIPS, genetic algorithms and the wavelet transformation combined with a genetic algorithm. In both case studies, regarding long and short-term ageing periods, we have found out that it is indeed possible to predict wine ages, in our case Madeira wine ages, with an accuracy of 1.4 years for longer ageing periods, and of 3 months for wines of an age comprised in the first two years of ageing. The genetic algorithm revealed to be very useful for proper wavelet coefficients selection, leading to the most parsimonious model among all those analyzed, which also presents the best predictive performance found.


Assuntos
Técnicas de Química Analítica/métodos , Técnicas de Química Analítica/normas , Vinho/normas , Algoritmos , Previsões , Controle de Qualidade , Espectrofotometria Ultravioleta/métodos , Espectrofotometria Ultravioleta/normas , Fatores de Tempo
17.
Anal Chim Acta ; 659(1-2): 93-101, 2010 Feb 05.
Artigo em Inglês | MEDLINE | ID: mdl-20103109

RESUMO

Madeira wine has been studied with the main goal of acquiring a better understanding about the evolution of its properties over time. For that purpose, flexible and reliable data analysis tools were employed to characterize wines at different ageing stages, using flavour chromatography measurements. In this paper we present the results from such a study, where the main differences in the aroma profiles and their development in different types of aged Madeira wines are analyzed and evaluated according to their discriminating power. An exploratory multivariate data analysis was conducted using two different tools, namely biplots and contributions plots obtained through principal component analysis (PCA). In order to take advantage of the maximum amount of information provided by the chromatography data sets, a new approach that incorporates samples variability in the analysis of the statistical significance of contributions estimates, was developed and tested. In this way, it was possible to analyze which volatile compounds have statistically significant and/or similar contributions regarding the observed separation of wine samples from different groups. Furthermore, since several chemical compounds are expected to change together as a result of the ageing-related chemical reactions, they were clustered according to a similarity criterion relative to their importance in the trends observed in the scores space. Results obtained provide a sound basis for the differentiation and characterization of the ageing process followed by Madeira wines.

18.
Anal Chim Acta ; 660(1-2): 8-21, 2010 Feb 15.
Artigo em Inglês | MEDLINE | ID: mdl-20103138

RESUMO

Wine is one of the world's higher value agricultural products. The present work is centred on Madeira wine, a fine and prestigious example among Portuguese liqueur wines,with the main goal to deepen our understanding of relevant phenomena going on during the winemaking process, in particular during ageing of "Malmsey" Madeira wine. In this paper we present the results obtained from the chemical characterization of how its aroma composition evolves during ageing, and the development of a robust framework for analyzing the identity of aged Madeira wines. An extended ageing period was considered, covering a time frame of twenty years, from which several samples were analyzed in terms of their aromatic composition. The multivariate structure of this chemical information was then processed through multivariate statistical feature extraction techniques such as principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA), in order to identify the relevant patterns corresponding to trends associated with wine ageing. Classification methodologies for age prediction were developed, using data from the lower dimensional sub-spaces obtained after projecting the original data to the latent variable spaces provided by PCA or PLS-DA. Finally, the performance for each classification methodology developed was evaluated according to their error rates using cross-validation methodologies (Leave-One-Out and k-fold Monte Carlo). Results obtained so far show that quite interesting classification performances can indeed be achieved, despite the natural variability present in wine products. These results also provide solid bases which can be used to build up available frameworks which assist quality monitoring and identity assurance tasks.

19.
Talanta ; 68(5): 1512-21, 2006 Feb 28.
Artigo em Inglês | MEDLINE | ID: mdl-18970493

RESUMO

In order to differentiate and characterize Madeira wines according to main grape varieties, the volatile composition (higher alcohols, fatty acids, ethyl esters and carbonyl compounds) was determined for 36 monovarietal Madeira wine samples elaborated from Boal, Malvazia, Sercial and Verdelho white grape varieties. The study was carried out by headspace solid-phase microextraction technique (HS-SPME), in dynamic mode, coupled with gas chromatography-mass spectrometry (GC-MS). Corrected peak area data for 42 analytes from the above mentioned chemical groups was used for statistical purposes. Principal component analysis (PCA) was applied in order to determine the main sources of variability present in the data sets and to establish the relation between samples (objects) and volatile compounds (variables). The data obtained by GC-MS shows that the most important contributions to the differentiation of Boal wines are benzyl alcohol and (E)-hex-3-en-1-ol. Ethyl octadecanoate, (Z)-hex-3-en-1-ol and benzoic acid are the major contributions in Malvazia wines and 2-methylpropan-1-ol is associated to Sercial wines. Verdelho wines are most correlated with 5-(ethoxymethyl)-furfural, nonanone and cis-9-ethyldecenoate. A 96.4% of prediction ability was obtained by the application of stepwise linear discriminant analysis (SLDA) using the 19 variables that maximise the variance of the initial data set.

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