WAC 2022 banner
IVES 9 IVES Conference Series 9 WAC 9 WAC 2022 9 3 - WAC - Oral 9 Accurate Quantification of Quality Compounds and Varietal Classification from Grape Extracts using the Absorbance-Transmittance Fluorescence Excitation Emission Matrix (A-TEEM) Method and Machine Learning

Accurate Quantification of Quality Compounds and Varietal Classification from Grape Extracts using the Absorbance-Transmittance Fluorescence Excitation Emission Matrix (A-TEEM) Method and Machine Learning

Abstract

Rapid and accurate quantification of grape berry phenolics, anthocyanins and tannins, and identification of grape varieties are both important for effective quality control of harvesting and initial processing for wine making. Current reference technologies including High Performance Liquid Chromatography (HPLC) can be rate limiting and too complex and expensive for effective field operations. Secondary calibrated techniques including UV-VIS and Near and Mid Infrared spectroscopy are insensitive to specific quality compounds and unable to make accurate varietal assignments. In this paper we analyze robotically prepared grape extracts from several key varieties (n=Calibration/p=Prediction samples) including Cabernet sauvignon (64/10), Grenache (16/4), Malbec (14/4), Merlot (56/10), Petit syrah (52/10), Pinot noir (54/8), Syrah (20/2), Terlodego (14/2) and Zinfandel (62/12). Key phenolic and anthocyanin parameters measured by HPLC included Catechin, Epicatechin, Quercetin Glycosides, Malvidin 3-glucoside, Total Anthocyanins and Polymeric Tannins. Separate samples diluted 150 fold in 50% EtOH pH 2 were analyzed in parallel using the A-TEEM method following Multiblock Data Fusion of the absorbance and unfolded EEM data. A-TEEM chemical data were calibrated (n=390) using Extreme Gradient Boost (XGB) Regression and evaluated based on the Root Mean Square Error of the Prediction (RMSEP), the Relative Error of Prediction (REP%) and Coefficient of Variation (R2P) of the Prediction data (n=62). The regression results yielded an average REP% value of 6.0±2.4% and R2P of 0.941±0.024. While we consider the REP% values to be in the acceptable range at <10% we acknowledge that both the grape extraction method repeatability and HPLC reference method repeatability likely contributed the major sources of variation; e.g., A-TEEM sample REP%=1.31 for Polymeric Tannins. Varietal classification was analyzed using XGB discrimination analysis of the Multiblock data and evaluated based on the Prediction data. The classification results yielded 100% True Positive and True negative results for the Prediction Data for all varieties. We conclude that the A-TEEM method requires a minimum of sample preparation and rapid acquisition times (<1 min) and can serve as an accurate secondary method for both grape composition and varietal identification. Importantly, the application of the regression and classification models can be effectively automated for operators.

DOI:

Publication date: June 13, 2022

Issue: WAC 2022

Type: Article

Authors

Adam, Gilmore, Qiang, Sui

Presenting author

Adam, Gilmore – HORIBA Instruments Inc.

E & J Gallo Wines

Contact the author

Keywords

Extreme Gradient Boost – Phenolics – Anthocyanins- Tannins-Grape Variety

Tags

IVES Conference Series | WAC 2022

Citation

Related articles…

Impact of geographical location on the phenolic profile of minority varieties grown in Spain. II: red grapevines

Because terroir and cultivar are drivers of wine quality, is essential to investigate theirs effects on polyphenolic profile before promoting the implantation of a red minority variety in a specific area. This work, included in MINORVIN project, focuses in the polyphenolic profile of 7 red grapevines minority varieties of Vitis vinifera L. (Morate, Sanguina, Santafe, Terriza Tinta Jeromo Tortozona Tinta) and Tempranillo) from six typical viticulture Spanish areas: Aragón (A1), Cataluña (A2), Castilla la Mancha (A3), Castilla –León (A4), Madrid (A5) and Navarra (A6) of 2020 season. Polyphenolic substances were extracted from grapes. 35 compounds were identified and quantified (mg subtance/kg fresh berry) by HPLC and grouped in anthocyanins (ANT) flavanols (FLAVA), flavonols (FLAVO), hydroxycinnamic (AH), benzoic (BA) acids and stilbenes (ST). Antioxidant activity (AA, mmol TE /g fresh berry) was determined by DPPH method. The results were submitted to a two-way ANOVA to investigate the influence of variety, area and their interaction for each polyphenolic family and cluster analysis was used to construct hierarchical dendrograms, searching the natural groupings among the samples. Sanguina (A3) had the most of total polyphenols while Tempranillo (A5) those of ANT. Sanguina (A2) and (A3) reached the highest values of FLAVO, FLAVA and AA. These two last samples had also the maximum of AA. The effect cultivar and area were significant for all polyphenolic families analyzed. A high variability due to variety (>50%) was observed in FLAVA and the maximum value of variability due to growing area was detected in AA (86.41%), ANT and FLAVO (51%); the interaction variety*zone was significant only for ANT, FLAVO, EST and AA. Finally, dendrograms presented five cluster: i) Sanguina (A2); ii) Sanguina (A3); iii) Tempranillo (A5); iv) Tempranillo (A3); Terriza (A3,A5), Morate (A5,A6); v) Santafé (A1,A6); Tortozona tinta (A1,A3,A6); Tinta Jeromo (A3,A4).

The combined effects of climate, soils, and deficit irrigation on yield and quality of Touriga Nacional under high atmospheric demand in the Douro Region

Global warming is one of the biggest environmental, social and economic threats in several viticultural regions. In the Douro Valley, changes are expected in the coming years, namely an increase in temperature and a decrease in precipitation. These changes are likely to have consequences for the production and quality of wine.
The aim of this study was to explore the effects of different soil characteristics combined with several deficit irrigation strategies, managed throughout ETc references and predawn leaf water potentials thresholds, on physiology, yield, and qualitative attributes on the Touriga Nacional variety under years of mild to severe water and heat stress.
The studies were conducted over seven years (2015 to 2021) in two plots of a commercial vineyard located at Quinta do Ataíde (Symington Family Estates) planted in 2011 and 2014 at 170 meters elevation, growing under three water regimes: non-irrigated (NI) and two deficit irrigation strategies (30% and 60% ETc) assessed weekly by Ψpd. The site has an annual rainfall below 500 mm, with high atmospheric demand. Climate data was collected from a weather station, located on site. Berry ripening was followed weekly for fruit analysis. At harvest, yield, vigour and pruning weight per vine were determined from 90 vines by treatment. Each season at veraison the NDVI Index was accessed by a drone. The soils physic-chemistry in the experimental blocs were analysed and grouped by SWHC. Delta C-13 analyses were also performed per treatment in two years.Irrigation had a positive effect on yield per vine, mostly due to an increase in berry and cluster weight, and fertility index through the years. A significant increase in sugar content, colour and phenols was observed with deficit irrigation in some years, but vine vigour related to soil characteristics had by far the greatest impact on quality.

Spatiotemporal patterns of chemical attributes in Vitis vinifera L. cv. Cabernet Sauvignon vineyards in Central California

Spatial variability of vine productivity in winegrapes is important to characterise as both yield and quality are relevant for the production of different wine styles and products. The objectives were to understand how patterns of variability of Cabernet Sauvignon fruit composition changed over time and space, how these patterns could be characterised with indirect measurements, and how spatial patterns of the variation in fruit compositional attributes can aid in improving management. Prior to the 2017 vintage, 125 data vines were distributed across each of four vineyards in the Lodi American Viticultural Area (AVA) of California. Each data vine was sampled at commercial harvest in 2017, 2018, and 2019. Yield components and fruit composition were measured at harvest for each data vine, and maps of yield and fruit composition were produced for eight ‘objective measures of fruit quality’: total anthocyanins, polymeric tannins, quercetin glycosides, malic acid, yeast assimilable nitrogen, β-damascenone, C6 alcohols and aldehydes, and 3-isobutyl-2-methoxypyrazine. Patterns of variation in anthocyanins and phenolic compounds were found to be most stable over time. Given this relative stability, management decisions focused on fruit quality could be based on zonal descriptions of anthocyanins or phenolics to increase profitability in some vineyards. In each vineyard, dormant season pruning weights and soil cores were collected at each location, elevation and soil apparent electrical conductivity surveys were completed, and remotely sensed imagery was captured by fixed wing aircraft and two satellite platforms at major phenological stages. The data collected were used to develop relationships among biophysical data, soil, imagery, and fruit composition. The standardised and aggregated samples from four vineyards over three seasons were included in the estimation of ‘common variograms’ to assess how this technique could aid growers in producing geostatistically rigorous maps of fruit composition variability without cumbersome, single season sampling efforts.

Towards a regional mapping of vine water status based on crowdsourcing observations

Monitoring vine water status is a major challenge for vineyard management because it influences both yield and harvest quality. It is also a challenge at the territorial scale for identifying periods of high water restriction or zones regularly impacted by water stress. This information is of major importance for defining collective strategies, anticipating harvest logistic or applying for irrigation authorisation. At this spatial scale, existing tools and methods for monitoring vine water status are few and often require strong assumptions (e.g. water balance model). This paper proposes to consider a collaborative collection of observations by winegrowers and wine industry stakeholders (crowdsourcing) as an interesting alternative. Indeed, it allows the collection of a large number of field observations while pooling the collection effort. However, the feasibility of such a project and its interest in monitoring vine water status at regional scale has never been tested.

The objective of this article is to explore the possibility of making a regional map of vine water status based on crowdsourcing observations. It is based on the study of the free mobile application ApeX-Vigne, which allows the collection of observations about vine shoot growth. This information is easy to collect and can be considered, under certain conditions, as a proxy for vine water status. This article presents the first results obtained from the nearly 18,000 observations collected by winegrowers and wine industry stakeholders during 2019, 2020 and 2021 seasons. It presents the vine shoot growth maps obtained at regional scale and their evolution over the three vintages studied. It also proposes an analysis of the factors that favoured the number of observations collected and those that favoured their quality. These results open up new perspectives for monitoring vine water status at a regional scale but above they provide references for other crowdsourcing projects in viticulture.

Legacy of land-cover changes on soil erosion and microbiology in Burgundian vineyards

Soils in vineyards are recognized as complex agrosystems whose characteristics reflect complex interactions between natural factors (lithology, climate, slope, biodiversity) and human activities. To date, most of the unknown lies in an incomplete understanding of soil ecosystems, and specifically in the microbial biodiversity even though soil microbiota is involved in many key functions, such as nutrient cycling and carbon sequestration. Soil biological properties are indicative of soil quality. Therefore, understanding how soil communities are related to soil ecosystem functioning is becoming an essential issue for soil strategy conservation. Here, we propose to assess the importance of land-cover history on the present-day microbiological and physico-chemical properties. The studied area was selected in the Burgundian vineyards (Pernand-Vergelesses, Burgundy, France) where land occupation has been reconstructed over the last 40 years. Soil samples were collected in five areas reflecting various land cover history (forest, vineyards, shifting from forest to vineyards). For each area, physico-chemical parameters (pH, C, N, P, grain size) were measured and DNA was extracted to characterize the abundance and diversity of microbial communities. The obtained results show significant differences in the five areas suggesting that present-day microbial molecular biomass and bacterial taxonomic is partly inherited from past land occupation. Over longer period of time, such study of land-uses legacies may help to better assess ecosystem recovery and the impact of management practices for a better soil quality and vineyards sustainability.