Macrowine 2021
IVES 9 IVES Conference Series 9 Prediction of sauvignon blanc quality gradings with static headspace−gas chromatography−ion mobility spectrometry (SHS−GC−IMS) and machine learning

Prediction of sauvignon blanc quality gradings with static headspace−gas chromatography−ion mobility spectrometry (SHS−GC−IMS) and machine learning

Abstract

AIM: The main goal of the current study is the development of a cost-effective and easy-to-use method suitable for use in the laboratory of commercial wineries to analyze wine aroma. Additionally, this study attempted to establish a prediction model for wine quality gradings based on their aroma, which could reveal the important aroma compounds that correlate well with different grades of perceived quality

METHODS: Parameters of the SHS−GC−IMS instrument were first optimized to acquire the most desirable chromatographic resolution and signal intensities. Method stability was then exhibited by repeatability and reproducibility. Subsequently, compound identification was conducted. After method development, a total of 143 end-ferment wine samples of three different quality gradings from vintage 2020 were analyzed with the SHS−GC−IMS instrument. Six machine learning methods were employed to process the results and construct a quality prediction model. Techniques that aim to explain the model to extract useful insights were also applied.

RESULTS: The SHS−GC−IMS method was able to detect 23 compounds among 65 peaks, mostly esters and higher alcohols, using the current instrumentation. Several identified compounds, including methyl acetate, ethyl formate, and amyl acetate, have seldomly been reported in Sauvignon Blanc wines before. The method also indicated decent repeatability and reproducibility, both of which were below 10%. The quality prediction model was successfully established using artificial neural network (ANN) based on all peaks regardless of their identity. The model returned a highly satisfactory prediction accuracy of 95.4% using 10-fold cross-validation. SHapley Additive exPlanations (SHAP) values was used to delineate the prediction mechanism of the model. SHAP values revealed that isoamyl acetate, ethyl decanoate, ethyl octanoate and 1-hexanol were positively linked to better quality, whereas hexyl acetate, isoamyl alcohol, and 1-butanol could lower the quality grading.

CONCLUSIONS:

This study has successfully developed a method alternative to GC−MS based instruments for the non-targeted screening of wine volatile compounds. With its simple design featuring a headspace sampling unit, highly simplified sample preparation, and nitrogen being the only gas supply, the instrument has shown outstanding practicality desired by commercial winery laboratories. The powerful prediction model and the insights extracted by SHAP values could serve as a starting point for winemakers to investigate the effects of winemaking operations on the expression of the volatiles shown to correlate with higher gradings, to enhance the quality of wines. The findings of this study have been published as an original research article in the Journal of Agricultural and Food Chemistry: J. Agric. Food Chem. 2021, 69(10), 3255−3265.

DOI:

Publication date: September 22, 2021

Issue: Macrowine 2021

Type: Article

Authors

Wenyao Zhu , Frank BENKWITZ, Paul A. KILMARTIN,

School of Chemical Sciences, University of Auckland, Private Bag 92019, Auckland, New Zealand; Drylands Winery, Constellation Brands NZ, Blenheim 7273, New Zealand.

Contact the author

Keywords

Sauvignon blanc, static headspace−gas chromatography−ion mobility spectrometry (SHS−GC−IMS), quality grading, machine learning, artificial neural network (ANN), model explanation

Citation

Related articles…

Effect of fertigation strategies to adapt PGI Côtes de Gascogne production to hot vintage

The development of fertigation could be a possible solution to adapt PGI Côtes de Gascogne (south-western France) wine production to climate change. The goal would be to limit the negative effects of water stress on yield performance expectation (around 15 tons per hectare) and to make the use of fertilizers more efficient. This study aimed to compare the effects of three strategies of water and minerals supply on grapes and wines qualities. Two fertigation practices were compared to a rainfed control which is the current standard of the local grape growing production. The fertilizers (nitrogen and potassium) were (i) fully brought by irrigation pipe during the season, (ii) partially brought by irrigation pipe and partially on the soil or (iii) fully brought on the soil at the beginning of the season for the non-irrigated control (local standard). The trial was run on cv. Colombard trained on spur pruned with vertical shoot positioning system on a sandy-silty-clay soil over the 2020 vintage which was particularly hot for the region. Moderate to strong water deficit appeared during the growing period of the berries and held on after veraison. Irrigation strategies allowed for maintaining grapevine without water deficit and being significantly different from the control water status. Grapevine with fully or partial fertigation strategies produced 25% more yield mainly due to the increase of the bunch weight. Also, the fully fertigation showed the best ratio between yield and maturity and brought 30% less of fertilizers (both nitrogen and potassium) than the two other strategies. Finally, the analysis of aromatic compounds in Colombard wines, varietal thiols family, showed the same level of concentrations for the 3 treatments, confirming that the yield performance did not impact the aromatic potential in this trial.

Grapevine sugar concentration model in the Douro Superior, Portugal

Increasingly warm and dry climate conditions are challenging the viticulture and winemaking sector. Digital technologies and crop modelling bear the promise to provide practical answers to those challenges. As viticultural activities strongly depend on harvest date, its early prediction is particularly important, since the success of winemaking practices largely depends upon this key event, which should be based on an accurate and advanced plan of the annual cycle. Herein, we demonstrate the creation of modelling tools to assess grape ripeness, through sugar concentration monitoring. The study area, the Portuguese Côa valley wine region, represents an important terroir in the “Douro Superior” subregion. Two varieties (cv. Touriga Nacional and Touriga Franca) grown in five locations across the Côa Region were considered. Sugar accumulation in grapes, with concentrations between 170 and 230 g l-1, was used from 2014 to 2020 as an indicator of technological maturity conditioned by meteorological factors. The climatic time series were retrieved from the EU Copernicus Service, while sugar data were collected by a non-profit organization, ADVID, and by Sogrape, a leading wine company. The software for calibrating and validating this model framework was the Phenology Modeling Platform (PMP), version 5.5, using Sigmoid and growing degree-day (GDD) models for predictions. The performance was assessed through two metrics: Roots Mean Square Error (RMSE) and efficiency coefficient (EFF), while validation was undertaken using leave-one-out cross-validation. Our findings demonstrate that sugar content is mainly dependent on temperature and air humidity. The models achieved a performance of 0.65

Grape berry size is a key factor in determining New Zealand Pinot noir wine composition

Making high quality but affordable Pinot noir (PN) wine is challenging in most terroirs and New Zealand’s (NZ) situation is no exception. To increase the probability of making highly typical PN wines producers choose to grow grapes in cool climates on lower fertility soils while adopting labour intensive practices. Stringent yield targets and higher input costs necessarily mean that PN wine cost is high, and profitability lower, in line-priced varietal wine ranges. To understand the reasons why higher yielding vines are perceived to produce wines of lower quality we have undertaken an extensive study of PN in NZ. Since 2018, we established a network of twelve trial sites in three NZ regions to find individual vines that produced acceptable commercial yields (above 2.5kg per vine) and wines of composition comparable to “Icon” labels. Approximately 20% of 660 grape lots (N = 135) were selected from within a narrow juice Total Soluble Solids (TSS) range and made into single vine wines under controlled conditions. Principal Component Analysis of the vine, berry, juice and wine parameters from three vintages found grape berry mass to be most effective clustering variable. As berry mass category decreased there was a systematic increase in the probability of higher berry red colour and total phenolics with a parallel increase in wine phenolics, changed aroma fraction and decreased juice amino acids. The influence of berry size on wine composition would appear stronger than the individual effects of vintage, region, vineyard or vine yield. Our observations support the hypothesis that it is possible to produce PN wines that fall within an “Icon” benchmark composition range at yields above 2.5kg per vine provided that the Leaf Area:Fruit Weight ratio is above 12cm2 per g, mean berry mass is below 1.2g and juice TSS is above 22°Brix.

Climate, Viticulture, and Wine … my how things have changed!

The planet is warmer than at any time in our recorded past and increasing greenhouse emissions and persistence in the climate system means that continued warming is highly likely. Climate change has already altered the basic framework of growing grapes for wine production worldwide and will likely continue to do so for years to come. The wine sector can continue to play an important role in leading the agricultural sector in addressing climate change. From developing on…

The concept of terroir: what place for microbiota?

Microbes play key roles on crop nutrient availability via biogeochemical cycles, rhizosphere interactions with roots as well as on plant growth and health. Recent advances in technologies, such as High Throughput Sequencing Techniques, allowed to gain deeper insight on the structure of bacterial and fungal communities associated with soil, rhizosphere and plant phyllosphere. Over the past 10 years, numerous scientific studies have been carried out on the microbial component of the vineyard. Whether the soil or grape compartments have been taken into account, many studies agree on the evidence of regional delineations of microbial communities, that may contribute to regional wine characteristics and typicity. Some authors proposed the term “microbial terroir” including “yeast terroir” for grapes to describe the connection between microbial biogeography and regional wine characteristics. Many factors are involved in terroir including climate, soil, cultivar and human practices as well as their interactions. Studies considering “microbial terroir” greatly contributed to improve our knowledge on factors that shape the vineyard microbial structure and diversity. However, the potential impact of “microbial terroir” on wine composition has yet not received strong scientific evidence and many questions remain to be addressed, related to the functional characterization of the microbial community and its impact on plant physiology and grape composition, the origins and interannual stability of vineyard microbiota, as well as their impact on wine sensorial attributes. The presentation will give an overview on the role of microbiota as a terroir component and will highlight future perspectives and challenges on this key subject for the wine industry.