Volatile compounds responsible for aroma of Jutrzenka liquer wine

Jutrzenka is a sweet liquer wine produced in Poland from the grape variety of the same name, developed in Poland to withstand the harsh climate of winery regions. Jutrzenka wine has a characteristic aroma with strong fruity and flowery notes, which make it unique among other liquer wines as demonstrated in sensory profile analysis. The work was aimed at characterization of volatile compounds in this wine, with the emphasis on characterization of compounds responsible for its unique aroma. Gas chromatography-olfactometry (GC-O) was applied to identify the key odorants using aroma extract dilution analysis (AEDA) approach. To facilitate free and bound terpenes and C(13)-norisoprenoids identification solid phase extraction (SPE) was used followed by GC/MS. Among identified key odorants β-damascenone was the compound having the highest FD (4096), followed by isoamyl alcohol, 4-mercapto-4-methyl-2-pentanone (FD=2048), methional, linalool, ethyl decanoate (FD=1024) and ethyl hexanoate, furaneol (FD=512). Other significant compounds were ethyl 2-methyl propanoate, ethyl 2-methylbutanoate and phenyl ethyl alcohol. Determination of odor activity values (OAV) showed the highest values for β-damascenone (566), 4-mercapto-4-methyl-2-pentanone (288) ethyl hexanoate (32) and linalool (7). Jutrzenka exhibited also a rich profile of free, and to lesser extent bound terpenes.     

Analysis of organic sulfur compounds in wine aroma

Sulfur-containing compounds in wines have been extensively studied because of their effect on wine aroma. The aim of this paper was to give an overview on the analytical methods developed to determine them in wines with special emphasis on gas chromatographic methods, as well as the results obtained. In addition, the problems occurring in application of the common extraction procedures, such as liquid-liquid extraction, static and dynamic headspace and solid-phase microextraction, are presented and discussed.     

Optimization of an extraction method of aroma compounds in white wine using ultrasound

A simple and rapid method is described for the extraction of wine volatile compounds. The procedure was based on the ultrasonic-assisted extraction using a mixing of n-pentane-diethylether (1:2) as solvent. Factorial designs have been used to optimize the sonication process. Factors such as sample volume, extraction time and solvent volume were considered. A statistical approach was used to find suitable conditions for the ultrasound extraction of aroma compounds of wine. A factorial design at two-level revealed that lower sample volume (100 ml instead of 125 ml) and solvent volume of 50 ml instead of 60 ml contributed to improve extraction efficiency. Performance of the method was evaluated, and the procedure applied to the analysis of aroma compound in white wines from 'Condado de Huelva' (Spain).     

Effect of maturation in small oak casks on the volatility of red wine aroma compounds

Wood maturation of red wine produces complex interactions between oak extracted compounds and pre-existing components in wine. Wood contributes with some aroma volatiles; but the whole volatile fraction, including the volatiles extracted from grape or produced during fermentation, could be involved in interactions with the non-volatile fraction. Samples of red wine with increasing time of wood contact, matured in 25 l casks of new American oak, were analysed on their volatile composition both in solution and headspace, and phenolic components. There was an increase of acetic acid and acetate esters as the time of wood contact increased. On the other hand, ethyl esters decreased as the time in wood increased. Some volatiles showed different behaviour when comparing their relationship between headspace and solution from two different casks, even though they were treated as replicates. This different evolution among casks was also consistent with different evolution of phenolic compounds, suggesting that there was an interaction among the volatile fraction and phenolic components.     

Near infrared spectroscopy as a rapid tool to measure volatile aroma compounds in Riesling wine: possibilities and limits

Volatile chemical compounds responsible for the aroma of wine are derived from a number of different biochemical and chemical pathways. These chemical compounds are formed during grape berry metabolism, crushing of the berries, fermentation processes (i.e. yeast and malolactic bacteria) and also from the ageing and storage of wine. Not surprisingly, there are a large number of chemical classes of compounds found in wine which are present at varying concentrations (ng L⁻¹ to mg L⁻¹), exhibit differing potencies, and have a broad range of volatilities and boiling points. The aim of this work was to investigate the potential use of near infrared (NIR) spectroscopy combined with chemometrics as a rapid and low-cost technique to measure volatile compounds in Riesling wines. Samples of commercial Riesling wine were analyzed using an NIR instrument and volatile compounds by gas chromatography (GC) coupled with selected ion monitoring mass spectrometry. Correlation between the NIR and GC data were developed using partial least-squares (PLS) regression with full cross validation (leave one out). Coefficients of determination in cross validation (R ²) and the standard error in cross validation (SECV) were 0.74 (SECV: 313.6 μg L⁻¹) for esters, 0.90 (SECV: 20.9 μg L⁻¹) for monoterpenes and 0.80 (SECV: 1658 μg L⁻¹) for short-chain fatty acids. This study has shown that volatile chemical compounds present in wine can be measured by NIR spectroscopy. Further development with larger data sets will be required to test the predictive ability of the NIR calibration models developed.     

Beyond energy minimization: approaches to the kinetic folding of RNA

The term RNA folding is often used synonymously with the prediction of equilibrium structures. Yet many RNAs function thanks to their ability to undergo structural changes. In this contribution we present a systematic overview of existing approaches to the prediction of RNA folding kinetics, and in particular discuss the strengths and limitations of each method.     

Multiple analytical approaches for the organic and inorganic characterization of Origanum vulgare L. samples

Origanum vulgare L. samples, marketed in different geographic locations, were characterized by their organic and inorganic chemical composition. A total of 35 commercial samples were collected from various sites and analyzed to determine the qualitative and quantitative profile of essential oils, phenolic compounds and some inorganic elements. The variation in the content and composition of the essential oil was assessed by GC and GC-MS analyses, the phenolic fraction was investigated by UPLC^®/PDA, and the inorganic elements were determined by ICP-MS. The Principal Component Analysis (PCA) was applied with the aim to sort out the Origanum vulgare L. samples with different composition according to the different belonging origins. The results showed appreciable qualitative and quantitative differences among samples from different geographic origin.     

Changes in wine volatile compounds of varietal wines during ageing in wood barrels

Twelve single-variety wines were aged in new American oak barrels. A control wine of each variety without ageing in wood was also studied. The volatile aroma composition of these wines was analysed after the following combinations of time in wood and time in bottle: 0 months in wood plus 18 months in bottle, 4 months in wood plus 14 months in bottle, 9 months in wood plus 12 months in barrel and 12 months in barrel plus 6 months in bottle.The data obtained were studied by two different multivariate methods: factor analysis by principal components and stepwise linear discriminant analysis. The results obtained showed that the capacity of wine to extract the volatile compounds from the wood depended on the variety of grape used. Furthermore, it was also found that the changes in the volatile composition of the wines induced by the wood ageing were more important during the first 4 months. In addition, the volatile compounds studied allowed to differentiate and correctly classify the wines according to the time they had been in contact with the wood.     

LC-SSI-MS techniques as efficient tools for characterization of nonvolatile phenolic compounds of a special Hungarian wine

The utility of high-performance liquid chromatography-mass spectrometry using electrospray (ESI) and sonic spray (SSI) ionization for the characterization of nonvolatile phenolic compounds is tested using the special Hungarian wine Tokaj aszu of 1983 vintage. Besides caffeic-, ferrulic-, chlorogenic-, and 3,4-dimethoxycinnamic acids; 3,4-dimethoxycinnamoyl-, ferruloyl-, and galloyl-glucose; gentisic acid-beta-D-glucoside; theogallin; and resveratrol-3-O-beta-D-glucoside, 26 flavonoids can be identified. It is shown that because of its higher sensitivity, SSI is a more powerful tool for characterization and monitoring of nonvolatile phenolic compounds than ESI.     

Different multidimensional chromatographic approaches applied to the study of wine malolactic fermentation

Different multidimensional chromatographic techniques were used to study wine aroma pattern changes during malolactic fermentation (MLF). Ethyl lactate enantiomeric ratios were determined using on-line multidimensional gas chromatography. The values found agree with a spontaneous MLF. Off-line multidimensional HPLC/GC was used to deconvolute and enrich the sample and ease enantioselective chromatography. Chiral compound enantiomeric ratio changes during MLF were monitored. Evaluation of enantiomeric ratio changes during MLF has never been studied. (R,R), (S,S) and meso-butane-2,3-diol and pentane-2,4-diol (reported in wines for the first time) were submitted to untrained sensory panel tests. All stereoisomers revealed different sensory notes; pentane-2,4-diol showed an aromatic impact.     

Application of zNosetrade mark for the analysis of selected grape aroma compounds

A novel and portable gas chromatograph (GC, zNose™) has been evaluated for the measurement in grape berries of selected six-carbon compounds; namely, hexanal, cis-2-hexen-1-ol, cis-3-hexen-1-ol and trans-2-hexenal. The zNose™ is a handheld GC which uses purge and trap for concentration, and has a surface acoustic wave (SAW) sensor as a detector. Operation of the zNose™ using direct aspiration of the sample failed to detect the compounds at the reported odour threshold values. Pre-concentration by Tenax^® trapping and solid-phase microextraction (SPME) were investigated to improve the zNose™ sensitivity. Use of a Tenax^® pre-trap with the zNose™ allowed detection of the compounds at concentration levels in the order of their threshold values. Excessive bleed from the SPME fibre prevented the use of SPME with zNose™.     

Evaluation of the feasibility of the electronic tongue as a rapid analytical tool for wine age prediction and quantification of the organic acids and phenolic compounds. The case-study of Madeira wine

A set of fourteen Madeira wines comprising wines produced from four Vitis vinifera L. varieties (Bual, Malvasia, Verdelho and Tinta Negra Mole) that were 3, 6, 10 and 17 years old was analysed using HPLC and an electronic tongue (ET) multisensor system. Concentrations of 24 organic acids, phenolic and furanic compounds were determined by HPLC. The ET consisting of 26 potentiometric chemical sensors with plasticized PVC and chalcogenide glass membranes was used. Significance of the effects of age and variety on the ET response and wine composition with respect to the organic acids, phenolics and furanic derivatives were evaluated using ANOVA—Simultaneous Component Analysis (ASCA). Significance of the effects was estimated using a permutation test (1000 permutations). It was found that effects of age, grape variety and their interaction were significant for the HPLC data set and only the effect of age was significant for the ET data. Calibration models of the HPLC and ET data with respect to the wine age and of the ET data with respect to the concentration of the organic acids and phenolics were calculated using PLS1 regression. Models were validated using cross-validation. It was possible to predict wine age from HPLC and ET data with the accuracy in cross-validation of 2.6 and 1.8 years respectively. The ET was capable of detecting the following components (mean relative error in cross-validation is shown in the parentheses): tartaric (8%), citric (5%), formic (12%), protocatehuic (5%), vanillic (18%) and sinapic (14%) acids, catechin (6%), vanillin (12%) and trans-resveratrol (5%). The ET capability of predicting Madeira wine age with good accuracy (1.8 years) as well as quantify of some organic acids and phenolic compounds was demonstrated.     

Extraction of aroma compounds in a HFMC: Dynamic modelling and simulation

In the present work the dynamic behaviour of hollow-fiber membrane contactors (HFMCs) used for the recovery of aroma compounds from an aqueous feed phase with the help of a conventional solvent has been studied. Many aroma compounds play a significant role in the production of flavorants, which are used in the food industry to flavor, improve and increase the appeal of their products. Various aroma compounds with different physico-chemical characteristics have been chosen for this study. A real dynamic model of membrane-based solvent extraction (MBSE) process was developed. In the studied system, the aqueous feed and solvent phases are re-circulated to their respective storage tanks after contacting in a hollow fibres membrane contactor. The developed dynamic model was verified with experimental data from the literature and good level of agreement was found. It has been used as a tool to simulate and conclude about the influence of various module configurations, membrane characteristics and hydrodynamic conditions on the extraction of various aroma compounds. It was noted that transient models of membrane-based separation need attention to improve the simulation studies and experimental validity to encourage it at larger scales.     

Review of the role and methodology of high resolution approaches in aroma analysis

Analysis of the odour complexity in food and beverage products demands high resolution approaches for distinguishing individual aroma-impact compound(s), and for assessing their contribution to the global aroma of a sample. This paper aims to review current applications incorporating different advanced separation methodologies, and their roles in achieving high resolution aroma analysis. This includes prior low resolution gas chromatography–olfactometry (GC–O) with fractionation procedures using chemical manipulation, adsorption chromatography and ion exchange separation. Innovative multidimensional gas chromatography (MDGC) arrangements that are appropriately designed with olfactometry are of specific focus here. The revelation of resolved components using these integrated approaches provides significantly improved knowledge of aroma composition in samples.     

Properties of zirconium compounds likely to be of interest to the analytical chemist

A review of zirconium chemistry, with emphasis on the features underlying the chemical methods of determining this element, and an application of zirconium compounds in the analytical chemistry of other species.