Evaluating South African Chenin blanc wine styles using an LC-MS screening method

The use of multivariate statistics to correlate chemical data to spectral information seems as a valid alternative for the quantification of red wine phenolics. The advantages of these techniques include simplicity and cost effectiveness together with the limited time of analysis required. Although many
publications on this subject are nowadays available in the literature most of them only reported feasibility
studies. In this study 400 samples from thirteen fermentations including five different cultivars plus 150
wine samples from a varying number of vintages were submitted to spectrophotometric and chromatographic phenolic analysis.

Recent studies have demonstrated the role of certain lactones, particularly 2-nonen-4-olide, and volatile thiols (3-sulfanylhexan-1-ol) in the over ripped aromas of noble rot sweet wines (Stamatopoulos et al. 2014ab). These compounds are partly formed during the maturation and under the activity of B. cinerea on grapes. This research was carried out in the vineyard of Sauternes with aim to better understand their genesis depending on the grape over-ripening on two different soil types during 3 vintages. Thus, the study was conducted, with the Sémillon grape, during vintages 2012, 2014 & 2015, at 4 stages of over-maturation of the grapes (healthy, pourri plein, pourri roti, pourri roti + 15 days) considering two vineyard plots with different soil characteristics (calcosol & peyrosol) planted with the 315 Sémillon clone and grafted on 101-14 rootstock respectively in 1981 and 1980 and cultivated with the same vineyard management. Volatile lactones were assayed by liquid-liquid extraction followed by GC/MS analysis and the precursors of 3-sulfanylhexanol by an adaptation of the method by Capone et al. 2010 (SPE-
UPLC/FTMS).

Comprehensive two-dimensional gas chromatography (GCxGC) has emerged as a powerful analytical technique for unraveling the volatile composition of complex matrices. This work will present three applications of GCxGC Tof-MS to the oenological field, aimed to identify novel biomarkers to be used in the quality control process of the wine industry. Comprehensive mapping of volatile compounds was conducted in a large sample of 70 sparkling wines, produced by 48 different wineries across 6 vintages and representative of the two main production areas for premium Italian sparkling wines (Franciacorta (FC) and Trentodoc (TN)), using HS-SPME followed by GCxGC-Tof-MS and multivariate analysis. Selection and identification of 196 putative biomarkers allowed clear separation of sparkling wines from FC and TN.

During red wine ageing or conservation, color and taste change and astringency tends to reduce. These changes result from reactions of flavan-3-ols and/or anthocyanins among which condensation reactions with acetaldehyde are particularly important. The full characterization of these reactions has not been fully achieved because of difficulties in extracting and separating the newly formed compounds directly from wine. Model solutions mimicking food products constitute a simplified medium for their exploration, allowing the detection of the newly formed compounds, their isolation, and their structure elucidation.

A method of suspect screening analysis to study grape metabolomics, was developed [1]. By performing ultra-high performance liquid chromatography (UHPLC) – high-resolution mass spectrometry (HRMS) analysis of the grape extract, averaging 320-450 putative grape compounds are identified which include mainly polyphenols. Identification of metabolites is performed by a new HRMS-database of putative grape and wine compounds expressly constructed (GrapeMetabolomics) which currently includes around 1,100 entries.