Macrowine 2021
IVES 9 IVES Conference Series 9 Fluorescence spectroscopy with xgboost discriminant analysis for intraregional wine authentication

Fluorescence spectroscopy with xgboost discriminant analysis for intraregional wine authentication

Abstract

AIM: This study aimed to use simultaneous measurements of absorbance, transmittance, and fluorescence excitation-emission matrix (A-TEEM) combined with chemometrics as a rapid method to authenticate wines from three vintages within a single geographical indication (GI) according to their subregional variations.

METHODS: The A-TEEM technique (Gilmore, Akaji, & Csatorday, 2017) has been applied to analyse experimental Shiraz wines (n = 186) from six subregions of Barossa Valley, South Australia, from 2018, 2019 and 2020 vintages. Absorbance spectra and EEM fingerprints of the wines were recorded and the data were fused for multivariate statistical modelling with extreme gradient boost discriminant analysis (XGBDA) as reported by Ranaweera, Gilmore, Capone, Bastian, and Jeffery (2021) to classify wine according to their subregions. The cross-validated (k =10, Venetian blinds) confusion matrix score probabilities of classes were used to assess the accuracy of the classification models. A similar procedure was also carried out to discriminate subregions for a single vintage year. Basic chemical parameters (alcohol %v/v, pH, titratable acidity, and volatile acidity) were modelled with the partial least squares regression (PLSR) using A-TEEM data and reference chemical data.

RESULTS: Results have shown an unprecedented 100% correct classification of wines according to subregion across the three vintages and 98% accuracy for subregion in a single vintage year. Other model performance parameters of confusion matrix, including sensitivity, specificity, precision, and F1 score, were also showing the highest values (1.0) for each of the subregions. PLSR modelling revealed that A-TEEM data can also be used for a rapid assessment of basic wine chemical parameters. Notably, the results confirmed a distinct resolution among subregions despite their relatively close proximity within a single GI, indicating the effect of terroir on intraregional variation.

CONCLUSIONS

The sensitivity of A-TEEM allied with multivariate statistical analysis of fluorescence data facilitated the accurate classification of Shiraz wines according to the subregion of origin and production year. As a robust analytical method, A-TEEM can help identify the drivers of regional expression of wine and can potentially be developed for use within the supply chain to guarantee the provenance indicated on the label and to provide an assurance of quality. Overall, A-TEEM with XGBDA modelling continues to be shown as an accurate wine authentication tool that could even be applied at a subregional level.

DOI:

Publication date: September 7, 2021

Issue: Macrowine 2021

Type: Article

Authors

Ruchira Ranaweera

Department of Wine Science, The University of Adelaide, South Australia, Australia,Adam GILMORE, Horiba Instruments Inc., Piscataway, New Jersey, USA Dimitra CAPONE, The Australian Research Council Training Centre for Innovative Wine Production, The University of Adelaide Susan BASTIAN, The Australian Research Council Training Centre for Innovative Wine Production, The University of Adelaide David JEFFERY, The Australian Research Council Training Centre for Innovative Wine Production, The University of Adelaide

Contact the author

Keywords

geographical indication, authenticity, subregion, excitation-emission matrix, chemometrics, terroir

Citation

Related articles…

Variety and climatic effects on quality scores in the Western US winegrowing regions

Wine quality is strongly linked to climate. Quality scores are often driven by climate variation across different winegrowing regions and years, but also influenced by other aspects of terroir, including variety. While recent work has looked at the relationship between quality scores and climate across many European regions, less work has examined New World winegrowing regions. Here we used scores from three major rating systems (Wine Advocate, Wine Enthusiast and Wine Spectator) combined with daily climate and phenology data to understand what drives variation across wine quality scores in major regions of the Western US, including regions in California, Oregon and Washington. We examined effects of variety, region, and in what phenological period climate was most predictive of quality. As in other studies, we found climate, based mainly on growing degree day (GDD) models, was generally associated with quality—with higher GDD associated with higher scores—but variety and region also had strong effects. Effects of region were generally stronger than variety. Certain varieties received the highest scores in only some areas, while other varieties (e.g., Merlot) generally scored lower across regions. Across phenological stages, GDD during budbreak was often most strongly associated with quality. Our results support other studies that warmer periods generally drive high quality wines, but highlight how much region and variety drive variation in scores outside of climate.

Comparison of imputation methods in long and varied phenological series. Application to the Conegliano dataset, including observations from 1964 over 400 grape varieties

A large varietal collection including over 1700 varieties was maintained in Conegliano, ITA, since the 1950s. Phenological data on a subset of 400 grape varieties including wine grapes, table grapes, and raisins were acquired at bud break, flowering, veraison, and ripening since 1964. Despite the efforts in maintaining and acquiring data over such an extensive collection, the data set has varying degrees of missing cases depending on the variety and the year. This is ubiquitous in phenology datasets with significant size and length. In this work, we evaluated four state-of-the-art methods to estimate missing values in this phenological series: k-Nearest Neighbour (kNN), Multivariate Imputation by Chained Equations (mice), MissForest, and Bidirectional Recurrent Imputation for Time Series (BRITS). For each phenological stage, we evaluated the performance of the methods in two ways. 1) On the full dataset, we randomly hold-out 10% of the true values for use as a test set and repeated the process 1000 times (Monte Carlo cross-validation). 2) On a reduced and almost complete subset of varieties, we varied the percentage of missing values from 10% to 70% by random deletion. In all cases, we evaluated the performance on the original values using normalized root mean squared error. For the full dataset we also obtained performance statistics by variety and by year. MissForest provided average errors of 17% (3 days) at budbreak, 14% (4 days) at flowering, 14.5% (7 days) at veraison, and 17% (3 days) at maturity. We completed the imputations of the Conegliano dataset, one of the world’s most extensive and varied phenological time series and a steppingstone for future climate change studies in grapes. The dataset is now ready for further analysis, and a rigorous evaluation of imputation errors is included.

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,

Protected Designation of Origin (D.P.O.) Valdepeñas: classification and map of soils

The objective of the work described here is the elaboration of a map of the different types of vineyard soils that to guide the famers in the choice of the most productive vine rootstocks and varieties. 90 vineyard soils profiles were analysed in the entire territory of the Origen Denominations of Valdepeñas. The sampling was carried out in 2018 (June to October) by making a sampling grid, followed by photointerpretation and control in the field. The studied soils can be grouped into 9 different soil types (according to FAO 2006 classification): Leptosols, Regosols, Fluvisols, Gleysols, Cambisols, Calcisols, Luvisols and Anthrosols. A map showing the soil distribution with different type of soils has been made with the ArcGIS program. Regarding to the choice of rootstock, Calcisoles are soils with a high active limestone content, so the rootstocks used in these soils must be resistant to this parameter; Luvisols are deep soils with high clay content, so they will support vigorous rootstocks. Because the cartographic units are composed of two or more subgroups, with are associated in variable proportions, 9 different soil associations have been established; Unit 1: Leptosols, Cambisols and Luvisols (80%, 15% and 5% respectively); Unit 2: Cambisols with Regosols and Luvisols (40%, 30% and 30% respectively); Unit 3: Cambisols and Gleysols with Regosols (40%, 40% and 20% respectively); Unit 4: Regosols with Cambisols, Leptosols and Calcisols (40%, 30%, 15% and 15% respectively); Unit 5: Cambisols, Leptosols, Calcisols and Regosols (25% each of them); Unit 6: Luvisols with Cambisol and Calcisols (80%, 10% and 10% respectively); Unit 7: Luvisols and Calcisols with Cambisols (40%, 40% and 20% respectively); Unit 8: Calcisols with, Cambisols and Luvisols (80%, 10% and 10% respectively); Unit 9: Anthrosols. These study allow to elaborate the first map of vineyard soils of this Protected Designation of Origin in Castilla-La Mancha.

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.