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…

Climate ethnography and wine environmental futures

Globalisation and climate change have radically transformed world wine production upsetting the established order of wine ecologies. Ecological risks and the future of traditional agricultural systems are widely debated in anthropology, but very little is understood of the particular challenges posed by climate change to viticulture which is seen by many as the canary in the coalmine of global agriculture. Moreover, wine as a globalised embedded commodity provides a particularly telling example for the study of climate change having already attracted early scientific attention. Studies of climate change in viticulture have focused primarily on the production of systematic models of adaptation and vulnerability, while the human and cultural factors, which are key to adaptation and sustainable futures, are largely missing. Climate experts have been unanimous in recognising the urgent need for a better understanding of the complex dynamics that shape how climate change is experienced and responded to by human systems. Yet this call has not yet been addressed. Climate ethnography, coined by the anthropologist Susan Crate (2011), aims to bridge this growing disjuncture between climate science and everyday life through the exploration of the social meaning of climate change. It seeks to investigate the confrontation of its social salience in different locations and under different environmental guises (Goodman 2018: 340). By understanding how wine producers make sense of the world (and the environment) and act in it, it proposes to focus on the co-production of interdisciplinary knowledge by identifying and foreshadowing problems (Goodman 2018: 342; Goodman & Marshall 2018). It seeks to offer an original, transformative and contrasted perspective to climate change scenarios by investigating human agency -individual or collective- in all its social, political and cultural diversity. An anthropological approach founded on detailed ethnographies of wine production is ideally placed to address economic, social and cultural disruptions caused by the emergence of these new environmental challenges. Indeed, the community of experts in environmental change have recently called for research that will encompass the human dimension and for more broad-based, integrated through interdisciplinarity, useful knowledge (Castree & al 2014). My paper seeks to engage with climate ethnography and discuss what it brings to the study of wine environmental futures while exploring the limitations of the anthropological environmental approach.

Delaying irrigation initiation linearly reduces yield with little impact on maturity in Pinot noir

When to initiate irrigation is a critical annual management decision that has cascading effects on grapevine productivity and wine quality in the context of climate change. A multi-site trial was begun in 2021 to optimize irrigation initiation timing using midday stem water potential (ψstem) thresholds characterized as departures from non-stressed baseline ψstemvalues (Δψstem). Plant material, vine and row spacing, and trellising systems were concomitant among sites, while vine age, soil type, and pruning systems varied. Five target Δψstem thresholds were arranged in an RCBD and replicated eight times at each site: 0.2, 0.4, 0.6, 0.8, and 1.0 MPa (T1, T2, T3, T4, and T5, respectively). When thresholds were reached, plots were irrigated weekly at 70% ETc. Yield components and berry composition were quantified at harvest. To better generalize inferences across sites, data were analyzed by ANOVA using a mixed model including site as a random factor. Across sites, irrigation was initiated at Δψstem = 0.24, 0.50, 0.65, 0.93, and 0.98 MPa for T1, T2, T3, T4, and T5, respectively. Consistent significant negative linear trends were found for several key yield and berry composition variables. Yield decreased by 12.9, 15.9, 19.5, and 27.4% for T2, T3, T4, and T5, respectively, compared to T1 (p < 0.0001) across sites that were driven by similarly linear reductions in berry weight (p < 0.0001). Comparatively, berry composition varied little among treatments. Juice total soluble solids decreased linearly from T1 to T5 – though only ranged 0.9 Brix (p = 0.012). Because producers are paid by the ton, and contracts simply stipulate a target maturity level, first-year results suggest that there is no economic incentive to induce moderate water deficits before irrigation initiation, regardless of vineyard site. Subsequent years will further elucidate the carryover effects of delaying irrigation initiation on productivity over the long term.

Biodiversity in the vineyard agroecosystem: exploring systemic approaches

Biodiversity conservation and restoration are essential for guarantee the provision of ecosystem services associated to vineyard agroecosystem such as climate regulation trough carbon sequestration and control of pests and diseases. Most of published research dealing with the complexity of the vineyard agroecosystems emphasizes the necessity of innovative approaches, including the integration of information at different temporal and spatial scales and development of systemic analysis based on modelling. A biodiversity survey was conducted in the Franciacorta wine-growing area (Lombardy, Italy), one of the most important Italian wine-growing regions for sparkling wine production, considering a portion of the territory of 112 ha. The area was divided into several Environmental Units (EUs), defined as a whole vineyard or portion of vineyard homogenous in terms of four agronomic characteristics: planting year, planting density, cultivar, and training system. In each EU a set of compartments was identified and characterised by specific variables. The compartments are meteorology, morphology (altitude, slope, aspect, row orientation, and solar irradiance), ecological infrastructures and management. The landscape surrounding EU was also characterised in terms of land-use in a buffer zone of 500 m. For each component a specific methodology was identified and applied. Different statistical approaches were used to evaluate the method to integrate the information related to different compartments within the EU and related to the buffer zone. These approaches were also preliminarily evaluated for their ability to describe the contribution of biodiversity and landscape components to ecosystem services. This methodological exploration provides useful indication for the development of a fully systemic approach to structural and functional biodiversity in vineyard agroecosystems, contributing to promote a multifunctional perspective for the all wine-growing sector.

Grapevine yield-gap: identification of environmental limitations by soil and climate zoning in Languedoc-Roussillon region (south of France)

Grapevine yield has been historically overlooked, assuming a strong trade-off between grape yield and wine quality. At present, menaced by climate change, many vineyards in Southern France are far from the quality label threshold, becoming grapevine yield-gaps a major subject of concern. Although yield-gaps are well studied in arable crops, we know very little about grapevine yield-gaps. In the present study, we analysed the environmental component of grapevine yield-gaps linked to climate and soil resources in the Languedoc Roussillon. We used SAFRAN data and IGP Pays d’Oc wine yields from 2010 to 2018. We selected climate and soil indicators proving to have a significant effect on average wine yield-gaps at the municipality scale. The most significant factors of grapevine yield were the Soil Available Water Capacity; followed by the Huglin Index and the Climatic Dryness Index. The Days of Frost; the Soil pH; and the Very Hot Days were also significant. Then, we clustered geographical zones presenting similar indicators, facilitating the identification of resources yield-gaps. We discussed the number of zones with the experts of IGP Pays d’Oc label, obtaining 7 zones with similar limitations for grapevine yield. Finally, we analysed the main resources causing yield-gaps and the grapevine varieties planted on each zone. Mapping grapevine resource yield-gaps are the first stage for understanding grapevine yield-gaps at the regional scale.

Grapevine yield estimation in a context of climate change: the GraY model

Grapevine yield is a key indicator to assess the impacts of climate change and the relevance of adaptation strategies in a vineyard landscape. At this scale, a yield model should use a number of parameters and input data in relation to the information available and be able to reproduce vineyard management decisions (e.g. soil and canopy management, irrigation). In this study, we used data from six experimental sites in Southern France (cv. Syrah) to calibrate a model of grapevine yield limited by water constraint (GraY). Each yield component (bud fertility, number of berries per bunch, berry weight) was calculated as a function of the soil water availability simulated by the WaLIS water balance model at critical phenological phases. The model was then evaluated in 10 grapegrowers’ plots, covering a diversity of biophysical and technical contexts (soil type, canopy size, irrigation, cover crop). We identified three critical periods for yield formation: after flowering on the previous year for the number of bunches and berries, around pre-veraison and post-veraison of the same year for mean berry weight. Yields were simulated with a model efficiency (EF) of 0.62 (NRMSE = 0.28). Bud fertility and number of berries per bunch were more accurately simulated (EF = 0.90 and 0.77, NRMSE = 0.06 and 0.10, respectively) than berry weight (EF = -0.31, NRMSE = 0.17). Model efficiency on the on-farm plots reached 0.71 (NRMSE = 0.37) simulating yields from 1 to 8 kg/plant. The GraY model is an original model estimating grapevine yield evolution on the basis of water availability under future climatic conditions.  It allows to evaluate the effects of various adaptation levers such as planting density, cover crop management, fruit/leaf ratio, shading and irrigation, in various production contexts.