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…

Rapid damage assessment and grapevine recovery after fire

There is increasing scientific consensus that climate changeis the underlying cause of the prolonged dry and hot conditions that have increased the risk of extreme fire weather in many countries around the world. In December 2019, a bushfire event occurred in the Adelaide Hills, South Australia where 25,000 hectares were burnt and in vineyards and surrounding areas various degrees of scorching and infrastructure damage occurred. The ability to coordinate and plan recovery after a fire event relies on robust and timely data. The current practice for measuring the scale and distribution of fire damage is to walk or drive the vineyard and score individual vines based on visual observation. The process is time consuming, subjective, or semi-quantitative at best. After the December 2019 fires, it took many months to access properties and estimate the area of vineyard damaged. This study compares the rapid assessment and mapping of fire damage using high-resolution satellite imagery with more traditional ground based measures. Satellite imagery tracking vineyard recovery in the season following the bushfire is being correlated to field assessments of vineyard productivity such as canopy health and development, fertility and carbohydrate storage. Canopy health in the seasons following the fires correlated to the severity of the initial fire damage. Severely damaged vines had reduced canopy growth, were infertile or had very low fertility as well as lower carbohydrate levels in buds and canes during dormancy, which reduced productivity in the seasons following the bushfire event. In contrast, vines that received minor damage were able to recover within 1-2 years. Tools that rapidly and affordably capture the extent and severity of damage over large vineyard area will allow producers, government and industry bodies to manage decisions in relation to fire recovery planning, coordination and delivery, improving the efficiency and effectiveness of their response.

Deconstructing the soil component of terroir: from controversy to consensus

Wine terroir describes the collectively recognized relation between a geographical area and the distinctive organoleptic characteristics of the wines produced in it. The overriding objective in terroir studies is therefore to provide scientific proof relating the properties of terroir components to wine quality and typicity. In scientific circles, the role of climate (macro-, meso- and micro-) on grape and wine characteristics is well documented and accepted as the most critical. Moreover, there has been increasing interest in recent years about new elements with possible importance in shaping wine terroir like berry/leaf/soil microbiology or even aromatic plants in proximity to the vineyard conferring flavors to the grapes. However, the actual effect of these factors is also dependent on complex interactions with plant material (variety/clone, rootstock, vine age) and with human factors.
The contribution of soil, although a fundamental component of terroir and extremely popular among wine enthusiasts, remains a much-debated issue among researchers. The role of geology is probably the one mostly associated by consumers with the notion of terroir with different parent rocks considered to give birth to different wine styles. However, the relationship between wine properties and the underlying parent material raises a lot of controversy especially regarding the actual existence of rock-derived flavors in the wine (e.g. minerality). As far as the actual soil properties are concerned, the effect of soil physical properties is generally regarded as the most significant (e.g sandy soils being associated with lighter wines while those on clay with colored and tannic ones) mostly through control of water availability which ultimately modifies berry ripening conditions either directly by triggering biosynthetic pathways, or indirectly by altering vigor and yield components. The role of soil chemistry seems to be weakly associated to wine sensory characteristic, although N, K, S and Ca, but also soil pH, are often considered important in the overall soil effect.
Recently, in the light of evidence provided by precision agriculture studies reporting a high variability of vineyard soils, the spatial scale should also be taken into consideration in the evaluation of the soil effects on wines. While it is accepted that soil effects become more significant than climate on a local level, it is not clear whether these micro-variations of vineyard soils are determining in the terroir effect. Moreover, as terroir is not a set of only natural factors, the magnitude of the contribution of human-related factors (irrigation, fertilization, soil management) to the soil effect still remains ambiguous. Lastly, a major shortcoming of the majority of works about soil effects on wine characteristics is the absence of connection with actual vine physiological processes since all soil effects on grape and wine chemistry and sensorial properties are ultimately mediated through vine responses.
This article attempts to breakdown the main soil attributes involved in the terroir effect to suggest an improved understanding about soil’s true contribution to wine sensory characteristics. It is proposed that soil parameters per se are not as significant determining factors in the terroir effect but rather their mutual interactions as well as with other natural and human factors included in the terroir concept. Consequently, similarly to bioclimatic indices, composite soil indices (i.e. soil depth, water holding capacity, fertility, temperature etc), incorporating multiple soil parameters, might provide a more accurate and quantifiable means to assess the relative weight of the soil component in the terroir effect.

Teasing apart terroir: the influence of management style on native yeast communities within Oregon wineries and vineyards

Newer sequencing technologies have allowed for the addition of microbes to the story of terroir. The same environmental factors that influence the phenotypic expression of a crop also shape the composition of the microbial communities found on that crop. For fermented goods, such as wine, that microbial community ultimately influences the organoleptic properties of the final product that is delivered to customers. Recent studies have begun to study the biogeography of wine-associated microbes within different growing regions, finding that communities are distinct across landscapes. Despite this new knowledge, there are still many questions about what factors drive these differences. Our goal was to quantify differences in yeast communities due to management style between seven pairs of conventional and biodynamic vineyards (14 in total) throughout Oregon, USA. We wanted to answer the following questions: 1) are yeast communities distinct between biodynamic vineyards and conventional vineyards? 2) are these differences consistent across a large geographic region? 3) can differences in yeast communities be tied to differences in metabolite profiles of the bottled wine? To collect our data we took soil, bark, leaf, and grape samples from within each vineyard from five different vines of pinot noir. We also collected must and a 10º brix sample from each winery. Using these samples, we performed 18S amplicon sequencing to identify the yeast present. We then used metabolomics to characterize the organoleptic compounds present in the bottled wine from the blocks the year that we sampled. We are actively in the process of analysing our data from this study.

Exploring resilience and competitiveness of wine estates in Languedoc-Roussillon in the recent past: a multi-level perspective

The Languedoc-Roussillon wineries are facing a decline in wine yields particularly PGI yields due to many factors. Climate change is just ones, but is expected to increase in the future. There is also structurally a large heterogeneity of yield profiles among terroirs, varieties and strategies. This work investigates the link between yield, competitiveness and resilience to explore how resilient winegrowers have been in the recent past. To this end two approaches have been combined; (i) an accountancy database analysis at estate scale and (ii) municipality level competitiveness analysis. A new resilience indicator that characterizes the capacity of an estate to absorb yield variation is also defined. The FADN database between 2000 and 2018 of ex-Languedoc-Roussillon (France) and other data are used to analyse the current situation and the past evolution of competitiveness and resilience by type of estate (type of farm: PGI and/or PDO & type of commercialization: bulk and/or bottles). The net margin, which defines competitiveness, is not correlated to yield for all types but depends on the type of commercialization and the level of specialisation. The resilience indicator shows that the net margin of estates specialized in PGI is particularly sensitive to yield declines. We also show that price evolutions seem to compensate the effect of yield losses for the majority of types. Municipality scale analysis shows the links between local pedoclimate, yield, commercialization strategies and price. Overlapping a PDO with a PGI does not always increase a municipality’s PGI competitiveness. It is difficult to make links between causes and effects due to the complexity of the wine production system. Production diversification may be a solution. Resorting to the two level of analysis helps resolving the data gap that is necessary to explore the links between yield and economic performance of the wine estates in the long term.

Second pruning as a strategy to delay maturation in cv. ‘Touriga nacional’ in the Portuguese Douro region

The advance in maturation of wine grapes is an important climate change risk related effect that could affect warm regions like Portuguese Douro Wine Region. Indeed, the climate analysis over the past years registered a decrease in the precipitation, significant higher average temperatures, and a more frequent occurrence of extreme weather events, including heat waves. In these conditions the length from anthesis until maturation is shortened and the uncoupling of technical and phenolic maturity results in berries with higher sugar concentration (and lower acidity), but lower anthocyanins, tannins, and total phenolic concentration, which produce unbalanced wines.
In this work, an innovative strategy of crop forcing, based on forcing vine regrowth after a second pruning of green shoots, was tested, aimed at delaying ripening until the temperature becomes lower and, therefore, preventing acidity loss and increasing anthocyanin-to-sugar ratio. The experiments were conducted in 2019 and 2020 in a commercial vineyard of ‘Touriga Nacional’ located in the Douro Region. Crop forcing was conducted 15 (CF1) to 30 (CF2) days after fruit set. Vines pruned with conventional methods were used as control (CF0). Results confirmed that fruit ripening was shifted from the hot season (August/September), until a cooler period (October through early-November). At harvest, grapevine berries from CF1 and CF2 presented lower pH and higher acidity, than control, with no significant differences in colour intensity and phenolic levels composition. Sugar content was lower in CF2-treated vines in both seasons. However, in CF-treated vines the number and size of clusters were significantly lower (up to 88% reduction) than in control plants. A metabolomics analysis of mature berries from CF-treated vines and control is underway. Crop forcing was indeed effective in producing a more balance berry composition but severely reduced grapevine yield,