Wine Storage at Cellar vs. Room Conditions: Changes in the Aroma Composition of Riesling Wine.

Storage temperature is one of the most important factors affecting wine aging. Along with bottling parameters (type of stopper, SO2 level and dissolved O2 in wine), they determine how fast wine will evolve, reach its optimum and decline in sensory quality. At the same time, lowering of the SO2 level in wine has been a hot topic in recent years. In the current work, we investigated how Riesling wine evolved on the molecular level in warm (~25 °C) and cool (~15 °C) conditions depending on the SO2 level in the wine (low, medium and high), flushing of the bottle's headspace with CO2 and three types of stoppers (Diam 30, Diam 30 origin and Diam 5) with different OIR levels (0.8-1.3 mg) and OTR levels (0.3-0.4 mg/year). It was demonstrated that the evolution of primary and secondary aromas, wine color and low molecular weight sulfur compounds (LMWSCs) during the two years of aging mainly depended on the storage temperature. Variation in the SO2 level and CO2 in the headspace affected mostly certain LMWSCs (H2S, MeSH) and ß-damascenone. New aspects of C13-norisprenoids and monoterpenoids behavior in Riesling wine with different levels of SO2 and O2 were discussed. All three types of stoppers showed very close wine preservation properties during the two years of storage. The sensory analysis revealed that, after only six months, the warm stored wines with a low SO2 level were more oxidized and different from the samples with medium and high SO2 levels. A similar tendency was also observed for the cool stored samples.

Coumarins, psoralens, and quantitative 1H-NMR spectroscopy for authentication of lemon (Citrus limon [L.] Burm.f.) and Persian lime (Citrus × latifolia [Yu.Tanaka] Tanaka) juices.

Mutual adulterations of lemon and lime juices may be detected using coumarins and psoralens as markers. Poor manufacturing practices or legal but mechanically intense processing of lemons were recently suspected to lead to false accusations of deliberate adulterations with lime juices due to potentially unspecific markers. Therefore, we studied coumarin and psoralen profiles in carefully dissected flavedo, albedo, and endocarp of lime and lemon as well as in juices produced under variable mechanical stresses at laboratory and pilot plant scale. Although the marker herniarin was detectable in juices from lime and harshly extracted lemons at low levels, isopimpinellin, bergapten and the herein proposed, tentatively assigned 5-geranyloxy-8-methoxypsoralen represented unambiguously lime-specific markers. Coumarin and psoralen data also allowed differentiating juices produced at differing degrees of mechanical stress. The latter was also possible using quantitative 1H-NMR spectroscopy, which yielded best results when combined with HPLC data on coumarins and psoralens. In the future, the reported approach may be used for establishing a robust database prior to being used in industrial practice.

Responses on Must and Wine Composition of Vitis vinifera L. cvs. Riesling and Cabernet Sauvignon under a Free Air CO2 Enrichment (FACE).

Challenges of climate change on the future grape and wine production are widely discussed in science and in the wine industry with the goal to maintain a consistent must and wine quality in the future. Therefore, the effect of elevated CO2 (eCO2)-as one of the relevant greenhouse gases jointly responsible for a changing climate-was investigated concerning the composition of must and wine made of two grapevine cultivars V. vinifera L. cvs. Riesling and Cabernet Sauvignon within the established VineyardFACE (Free-Air Carbon dioxide Enrichment) experiment. Must and wine analysis were conducted in three consecutive years (2014-2016) by analyzing standard must and wine parameters, e.g., total soluble solids (TSS), pH, total acidity (TA), organic acids (e.g., tartaric acid, malic acid, shikimic acid, citric acid, volatile acid and gluconic acid) or total phenolics (TP). Also, for both cultivars CIELab coordinates (L* for lightness, a* as green/red and b* as blue/yellow components) were used to test colour in young white and red wines. Additionally, total anthocyanins and monomeric indices were analyzed for young wines of the red cultivar Cabernet Sauvignon. With marginal differences between CO2 treatments, the composition of must and young wines was not found to be negatively influenced by an eCO2 concentration.

Network analysis on Fourier-transform infrared (FTIR) spectroscopic data sets in an Eigen space layout: Introducing a novel approach for analysing wine samples.

In the present work, Eigen-directed network analysis for Fourier-transform infrared (FTIR) spectroscopic data sets of wine samples was introduced. A network can generally be viewed as a collection of nodes connected to each other through links, often also called edges. Herein, each node in the network represents a sample and the dissimilarity weight associated with the difference between the two connected nodes is described by the edge. The utility of the approach was tested by analysing a collection of 148 wine samples. The networking on FTIR data sets of these samples in the Eigen space layout was found to impart required aesthetic values as well as the chemical significance to the nodes positioning. The proposed approach successfully captured the compositional differences among the analysed wine samples and classified them in two groups. The Eigen-directed network analysis also allowed a swift assessment regarding inter- and intra-group homogeneity. Homogeneous groups were found to contain nodes with high degree of adjacency and edges with smaller lengths. In comparative study, the proposed approach was found to outperform the network analysis in force-directed layout and principal component analysis. In summary, the proposed Eigen-directed network analysis provided a simplified illustration of highly correlated spectral data sets enabling a swift and intuitive interpretation.

Introducing a novel procedure for peak alignment in one-dimensional 1H-NMR spectroscopy: a prerequisite for chemometric analyses of wine samples.

Shifted peak positions in 1H-nuclear magnetic resonance (1H-NMR) spectroscopy of wine samples are inevitably occurring mainly due to variations in the sample matrix, which consists of ethanol, glycerol, carbohydrates, acids, phenolic compounds, minerals, and aroma compounds. Slight variations in pH during sample preparation or fluctuations in instrumental factors may contribute to shifted peak positions that need to be corrected before subjecting the NMR data to chemometric techniques to ensure samples are compared on the correct chemical shift scale. In the current work, a novel procedure for correcting 1H-NMR spectroscopy peak positions was developed by mapping of the raw NMR spectra on a common chemical shift axis using a simple interpolation approach. The mapping allowed a substantial correction of peak positions and subsequently reduced the computational burden in further spectral processing. Fine-tuning of the peak alignments was carried out efficiently by interval-wisely applying the correlation optimized warping (COW) algorithm. Our preceding mapping approach enabled the use of substantially simpler alignment parameters of the COW algorithm, thereby accelerating the whole peak alignment process. The developed procedure may also be suitable for facilitating NMR analyses of other sample types, such as agricultural, clinical or pharmaceutical samples in targeted or untargeted analytical approaches.

The impact of hybrid yeasts on the aroma profile of cool climate Riesling wines.

The current study highlights the effects of intra- and interspecific hybrid yeasts of the genus Saccharomyces (S.) on the alcoholic fermentation and formation of aroma compounds in cool climate Riesling wines. Three different hybrid yeasts: S. cerevisiae × S. paradoxus (SC × SP), S. cerevisiae × S. kudriavzevii (SC × SK) and S. cerevisiae var. cerevisiae × S. cerevisiae var. bayanus (SC × SB) were investigated. The species S. cerevisiae var. bayanus (SB) was chosen as control variant. It has been demonstrated that the hybrid yeasts have the ability to preserve positive properties while, suppressing undesired properties from the parental yeast species. The hybrid SC × SK showed an increase of desired acetate esters and monoterpenes. The concentrations of higher alcohols were higher in wines fermented by SC × SP, compared to the other variants. SC × SP fermentations resulted in decreased concentrations of l-malate and sulphites.

Filter aid selection allows modulating the vanadium concentration in beverages.

This study reports a clear-cut relationship of the technological use of specific filter aids with highly variable vanadium levels in beer, wine, and fruit juices. First, the previously reported broad range of vanadium levels was confirmed in 68 commercial beverages by ICP-MS. Since cloudy apple juices exhibited significantly lower vanadium amounts than clear apple juices, filter aids used for clarification were analyzed and found to contain substantial and highly variable amounts of vanadium, particularly in all analyzed diatomite (38-368 mg vanadium per kg filter aid), but not in perlite products (<4 mg/kg). Subsequent pilot-scale precoat filtration experiments (170 L/batch) proved vanadium to be released from diatomite (Kieselguhr), increasing its levels from ca. 2.1-2.6 µg/kg unfiltered to 27-201 µg/kg filtered juice, depending on the use of diatomites high or low in vanadium. Thus, filter aid selection was shown to modulate the vanadium concentrations in clarified beverages.

Chemometric assisted Fourier Transform Infrared (FTIR) Spectroscopic analysis of fruit wine samples: Optimizing the initialization and convergence criteria in the non-negative factor analysis algorithm for developing a robust classification model.

The present work proposes certain optimization in the non-negative factor analysis (NNFA) algorithm to ensure an efficient analysis of the Fourier transformation infrared (FTIR) spectral data sets of the fruit wine samples. The first optimization deals with initialization of the variables in a controlled fashion that would ensure a reasonably good quality initial estimate to implement NNFA algorithm. It prevents NNFA algorithm from itinerating with random numbers that essentially have no chemical relevance. The second implemented optimization involves eliminating the alternate least square of convergence and allowing the algorithm to iterate until the iteration limit is reached. This criterion avoids the algorithm to have premature convergence and ensures that model provide the solutions which corresponds to the global minima. The application of NNFA with suggested optimizations are found to capture the subtle differences in the spectral profiles and classify the fruit wine samples that are essentially complex mixtures of several chemicals in unknown proportions. The proposed approach is also found to perform better than principal component analysis on practical grounds. In summary, the current work provides a simple, sensitive and cost-effective approach using optimized NNFA and FTIR spectroscopy for classifying the fruit wine samples.

Quantitation of Compounds in Wine Using (1)H NMR Spectroscopy: Description of the Method and Collaborative Study.

To examine whether NMR analysis is a suitable method for the quantitative determination of wine components, an international collaborative trial was organized to evaluate the method according to the international regulations and guidelines of the German Institute for Standardization/International Organization for Standardization, AOAC INTERNATIONAL, the International Union of Pure and Applied Chemistry, and the International Organization of Vine and Wine. Sugars such as glucose; acids such as malic, acetic, fumaric, and shikimic acids (the latter two as minor components); and sorbic acid, a preservative, were selected for the exemplary quantitative determination of substances in wine. Selection criteria for the examination of sample material included different NMR spectral signal types (singlet and multiplet), as well as the suitability of the proposed substances for manual integration at different levels of challenge (e.g., interference as a result of the necessary suppression of a water signal or the coverage of different typical wine concentration ranges for a selection of major components, minor components, and additives). To show that this method can be universally applied, NMR measurement and the method of evaluation were not strictly elucidated. Fifteen international laboratories participated in the collaborative trial and determined six parameters in 10 samples. The values, in particular the reproducibility SD (SR), were compared with the expected Horwitz SD (SH) by forming the quotient SR/SH (i.e., the HorRat value). The resulting HorRat values of most parameters were predominantly between 0.6 and 1.5, and thus of an acceptable range.

Comparison of different measurement techniques and variable selection methods for FT-MIR in wine analysis.

For more than a decade, Fourier-transform infrared (FTIR) spectroscopy combined with partial least squares (PLS) regression has been used as a fast and reliable method for simultaneous estimation of multiple parameters in wine. In this study, different FTIR instruments (single bounce attenuated total reflection, transmission with variable and defined pathlength) and different variable selection techniques (full spectrum PLS, genetic algorithm PLS, interval PLS, principal variable PLS) were compared on an identical sample set of international wines and ten wine parameters. Results suggest that the single bounce attenuated total reflection technique is well suited for the analysis of ethanol, relative density and sugars, but less accurate in the analysis of organic acid content. The transmission instrument with variable pathlength shows good validation results for the analysis of organic acids, but less accurate results for the analysis of ethanol and relative density as compared to the other instruments. The transmission instrument with defined pathlength was well suited for the analysis for all parameters investigated in this study. Variable selection improved model robustness and calibration results, with genetic algorithm PLS being the most effective technique.

Sun protection by red wine?

BACKGROUND: There is increasing evidence that polyphenols, antioxidants from plants such as green tea or grapes, may impair the UV-induced erythema reaction as well as carcinogenesis and metastasis of melanoma and epithelial skin cancer. The UVB-protective potential of wine polyphenols has not been studied so far in humans. PATIENTS AND METHODS: We tested the influence of local and systemic application of three red wines on the minimal erythema dose (MED) after UVB exposure in 15 healthy male physicians. Baseline MED were determined in all subjects. Irradiation was carried out prior to and immediately following 20 minutes of occlusive application of red wine as well as 12 % alcohol to the back. The systemic effect was tested by ultraviolet irradiation immediately prior to oral intake, RESULTS: There were no topical effects. Wine A also provided no protection systemically. Drinking wine B has led to an almost significant rise of MED, while wine C, which had the highest polyphenol content, produced a statistically significant higher MED (p = 0.031). CONCLUSIONS: "Wine baths" will not have sun protective properties. A significant rise of the MED following oral intake of the wine with the highest polyphenol content might be due to these substances. Further research is needed to clarify the role of polyphenol content, dose and duration of wine consumption.

Influence of processing on quality parameters of strawberries.

To determine the effects of different processing steps, such as enzymatic treatment of the mash and pasteurization, on selected quality parameters, strawberries were processed to juices and purees. To identify the processing steps causing the highest losses, samples were taken after each step, and ascorbic acid, total phenols, anthocyanins, and antioxidant capacity were analyzed. To assess the antioxidant capacity, three different methods were applied: the trolox equivalent antioxidant capacity (TEAC), the ferric reducing antioxidant power (FRAP), and the 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, showing correlation coefficients of 0.889 to 0.948. The antioxidant capacity decreased with processing steps except heat treatment, which partly caused an increase due to the formation of antioxidant active products. The content of ascorbic acid, in comparison to that in the frozen strawberries, decreased significantly during the processing of the fruit to puree by 77%. In the pressed cloudy juices, the loss of ascorbic acid was 37%. The decline of phenolic compounds, measured as total polyphenols and anthocyanins, was smaller (between 30-40%). Pressing and pasteurization were the most critical steps for the decrease of these compounds. The enzymatic treatment of the mash within 90 min supported the release of secondary plant metabolites, while ascorbic acid is reduced up to 20%.

Determination of sulfur forms in wine including free and total sulfur dioxide based on molecular absorption of carbon monosulfide in the air-acetylene flame.

A new method for the determination of sulfur forms in wine, i.e., free SO(2), total SO(2), bound SO(2), total S, and sulfate, is presented. The method is based on the measurement of the carbon monosulfide (CS) molecular absorption produced in a conventional air-acetylene flame using high-resolution continuum source absorption spectrometry. Individual sulfur forms can be distinguished because of the different sensitivities of the corresponding CS molecular absorption. The sensitivity of free SO(2) is about three times higher than the value for bound SO(2) and sulfate. The method makes use of procedures similar to those used in classic reference methods. Its performance is verified by analyzing six wine samples. Relative standard deviations are between 5 and 13% for free SO(2) and between 1 and 3% for total SO(2). For the validation of the accuracy of the new method, the results are compared with those of reference methods. The agreement of the values for total SO(2) with values of the classic method is satisfactory: five out of six samples show deviations less than 16%. Due to the instability of free SO(2) in wine and the known problems of the used reference method, serious deviations of the free SO(2) results are found for three samples. The evaluation of the limits of detection focuses on the value for free SO(2), which is the sulfur form having by far the lowest concentration in wine. Here, the achievable limit of detection is 1.8 mg L(-1). [figure: see text] Detection of non-metal elements using continuum source flame absorption spectrometry.