Macrowine 2021
IVES 9 IVES Conference Series 9 Determination of quality related polyphenols in chilean wines by absorbance-transmission and fluorescence excitation emission matrix (a-teem) analyses

Determination of quality related polyphenols in chilean wines by absorbance-transmission and fluorescence excitation emission matrix (a-teem) analyses

Abstract

Phenolic composition is essential to wine quality (Cleary et al., 2015; Bindon et al., 2020; Niimi et al., 2020) and its assessment is a strong industrial need to quality management. Objective of this work was to develop a rapid analysis method using the Absorbance-Transmission and fluorescence Excitation-Emission Matrix (A-TEEM) technique. Polyphenols exhibit characteristic and high fluorescence quantum yields, which makes them highly suitable for this technique. The method’s automatic real-time Inner Filter Effect (IFE) correction allows the quantification of minor compounds (Gilmore et al., 2016). IFE-corrected fluorescence EEM data and the absorbance data were combined, and the spectral data were regressed against the concentrations of 34 anthocyanins, flavan-3-ols, tannins, polymeric pigments, flavonols and hydroxycinnamic acids measured independently by HPLC-DAD and UV-vis. The study focused on comparing Partial Least Squares Regression (PLSR) and Extreme Gradient Boost Regression (XGBR) for the single- (fluorescence EEM or absorbance) and multi- (combined) block data. The calibration set comprised 1133 files acquired from 126 diverse experimental and commercial wines. Validation was carried out on two data sets, first by a 14% randomized sample split from the calibration data keeping instrument replicates together, and thereafter by another independent set of 96 files from 16 wines. As a general trend, validation of the multi-block data models with independent data using XGBR, compared to PLSR, yielded higher prediction correlation coefficients (R2P) and lower Root Mean Square Errors for Prediction (RMSEP). Considering all 34 compound fits, mean R2P of 0.947 with XGBR and of 0.899 with PLSR were obtained. The highest fits were obtained for compounds of the anthocyanin family with mean R2P of 0.974 (XGBR) and 0.954 (PLSR), respectively, while lower fits were found for flavan-3-oles with R2P of 0.878 (XGBR) and 0.771 (PLSR), indicating compound effects due to extraction and chromatographic and spectral analysis methods affecting repeatability and quantification limits. In general, precise model fits were found for compounds > 10 mg/L with R2P between 0.929 and 0.992 (XGBR) and between 0.875 and 0.992 (PLSR). Supplementary, all individual compounds could be identified according to their family by spectral fingerprints. However, these multi-block data sets were also associated with significantly higher R2P (and lower RMSEP) compared to a single block evaluation of the fluorescence EEM or absorbance data only. By using mean-centering and an Extended Mixture Model filter the multi-block data sets fit robustly using both XGBR and PLSR without the need to apply secondary variable selection algorithms. We conclude that analyzing the A-TEEM data using the multi-block organization and the XGBR algorithm facilitates a robust prediction of the key phenolic compound concentrations that strongly influence the Chilean wine quality.

DOI:

Publication date: September 7, 2021

Issue: Macrowine 2021

Type: Article

Authors

Doreen Schober

Center for Research and Innovation, Viña Concha y Toro, Ruta k-650 km 10, Pencahue, Región de Maule, Chile,Adam Gilmore, HORIBA Instruments Inc. 20 Knightsbridge Rd., Piscataway, NJ 08854, USA Jorge Zincker, Center for Research and Innovation, Viña Concha y Toro, Ruta k-650 km 10, Pencahue, Región de Maule, Chile Alvaro Gonzalez, Center for Research and Innovation, Viña Concha y Toro, Ruta k-650 km 10, Pencahue, Región de Maule, Chile

Contact the author

Keywords

quality, polyphenols, spectroscopy, a-teem, wine, machine learning

Citation

Related articles…

Amino nitrogen content in grapes: the impact of crop limitation

As an essential element for grapevine development and yield, nitrogen is also involved in the winemaking process and largely affects wine composition. Grape must amino nitrogen deficiency affects the alcoholic fermentation kinetics and alters the development of wine aroma precursors. It is therefore essential to control and optimize nitrogen use efficiency by the plant to guarantee suitable grape nitrogen composition at harvest. Understanding the impact of environmental conditions and cultural practices on the plant nitrogen metabolism would allow us to better orientate our technical choices with the objective of quality and sustainability (less inputs, higher efficiency). This trial focuses on the impact of crop limitation – that is a common practice in European viticulture – on nitrogen distribution in the plant and particularly on grape nitrogen composition. A wide gradient of crop load was set up in a homogeneous plot of Chasselas (Vitis vinifera) in the experimental vineyard of Agroscope, Switzerland. Dry weight and nitrogen dynamics were monitored in the roots, trunk, canopy and grapes, during two consecutive years, using a 15N-labeling method. Grape amino nitrogen content was assessed in both years, at veraison and at harvest. The close relationship between fruits and roots in the maintenance of plant nitrogen balance was highlighted. Interestingly, grape nitrogen concentration remained unchanged regardless of crop load to the detriment of the growth and nitrogen content of the roots. Meanwhile, the size and the nitrogen concentration of the canopy were not affected. Leaf gas exchange rates were reduced in response to lower yield conditions, reducing carbon and nitrogen assimilation and increasing intrinsic water use efficiency. The must amino nitrogen profiles could be discriminated as a function of crop load. These findings demonstrate the impact of plant balance on grape nitrogen composition and contribute to the improvement of predictive models and sustainable cultural practices in perennial crops.

Geospatial trends of bioclimatic indexes in the topographically complex region of Barolo DOCG

Barolo DOCG is an economically important wine producing region in Northwest Italy. It is a small region of approximately 70 km2 gross area. The topography is very complex with steep sloped hills ranging in elevation from below 200 m to 550 m. Barolo DOCG wine is made exclusively from the Nebbiolo grape. Bioclimatic indexes are often used in viticulture to gain a better understanding of broader climate trends which can be compared temporally and geographically. These indexes are also used for identifying potential phenological timing, growing region suitability, and potential risks associated with expected climatic changes. Understanding how topography influences bioclimatic indexes can help with understanding of mesoscale climate behaviour leading to improved decision making and risk management strategies. The average monthly maximum and minimum temperatures, the Cool Night Index, the Huglin Index, and the monthly diurnal range (from July to October) were calculated using data from 45 weather stations within a 40 km radius of the Barolo DOCG growing area between the years 1996 and 2019. Linear and multiple regression models were developed using independent variables (elevation, aspect, slope) extracted from a digital elevation model to identify significant relationships. Bioclimatic indexes were then kriged with external drift using independent variables that showed significant relationships with the bioclimatic index using a 100 m resolution grid. The maximum monthly temperatures and the Huglin Index showed consistent significant negative relationships with elevation in all years. The minimum monthly temperatures showed no relationship with elevation but in some months a small but significant relationship was observed with aspect. Due to the lack of a relationship between minimum monthly temperatures and elevation compared to the significant relationship between maximum monthly temperatures and elevation, monthly diurnal range had a negative relationship with elevation.

Vineyards and clay minerals: multi-technique analytical approach and correlations with soil properties

Purpose of this research is to quantitatively assess the mineral component of vineyard soils, with particular attention to the mineralogical analysis of clays, which represent an element of high importance in the vineyard culture as well as in general agriculture. An X-ray diffraction (XRD) / thermogravimetric (TG) multi-technique analytical approach was developed, tested on soil samples taken from vineyards around the world. This codified analytical procedure was necessary to obtain precise qualitative and quantitative mineralogical data, globally comparable to distinguish the geopedological identity of the vineyards. Soil samples from vineyards of various locations were analysed, in very different geological conditions. The bulk-rock quantitative phase analysis (QPA) was obtained by the Rietveld method while the detailed composition of the clay-sized fraction was determined by modelling of the oriented X-ray diffraction patterns. The research provided a precise classification of the mineral component of soils, distinguishing the mineral phases of the clays and the so-called mixed-layer clay minerals. We found that the content in mixed layers can be directly correlated with the water retention and the cation exchange capacity ​​of the soil, while the presence of other clayey minerals and phyllosilicates in this research did not affect this CEC parameter, which codes the fertility level of the soils. The study demonstrates that terroir, in particular soils formed in complex or very different geological conditions, can only be effectively interpreted by properly analysing its mineral phases, in particular the mixed-layer clay component. These are characteristic abiotic ecological indicators, which may have specific eco-physiological influences on the plant.

Analysis of Cabernet Sauvignon and Aglianico winegrape (V. vinifera L.) responses to different pedo-climatic environments in southern Italy

Water deficit is one of the most important effects of climate change able to affect agricultural sectors. In general, it determines a reduction in biomass production, and for some plants, as in the case of grapevine, it can endorse fruit quality. The monitoring and management of plant water stress in the vineyard

Projected changes in vine phenology of two varieties with different thermal requirements cultivated in La Mancha DO (Spain) under climate change scenarios

The aim of this work was to analyze the phenology variability of Tempranillo and Chardonnay cultivars, related to the climatic characteristics in La Mancha Designation of Origin, and their potential changes under climate change scenarios. Phenological dates referred to budbreak, flowering, veraison and harvest were analyzed for the period 2000-2019. The weather conditions at daily time scale, recorded during the same period, were also evaluated. The thermal requirements to reach each of these phenological stages were calculated and expressed as the GDD accumulated from DOY=60. Changes in phenology were projected by 2050 and 2070 taking into account those values and the projected temperatures and precipitation, simulated under two Representative Concentration Pathway (RCP) scenarios –RCP4.5 and RCP8.5– using an ensemble of models. The average phenological dates during the period under study were, April 16th ± 6.6 days and April 5th ± 6.0 days for budbreak, May 31st ± 6.0 days and May 27th ± 5.3 days for flowering, July 26th ± 5.6 days and July 25th ± 5.8 days for veraison, and Ago 23rd ± 10.8 days and Ago 17th ± 9.0 days for harvest, respectively, for Tempranillo and Chardonnay. The projected changes in temperature imply an average change in the maximum growing season (April-August) temperatures of 1.2 and 1.9°C by 2050, and 1.6 and 2.6°C by 2070, under the RCP4.5 and RCP8.5 scenarios, respectively. A reduction in precipitation is predicted, which vary between 15% for 2050 under RCP4.5 scenario and up to 30% by 2070 under RCP8.5. The advance of the phenological dates for 2050, could be of 6, 7, 7, and 8 days for Tempranillo and 4, 6, 6 and 9 days for Chardonnay, respectively for budbreak, flowering, veraison and harvest under the RCP4.5 scenario. Under the RCP8.5 emission scenario, the advance could be up to 30% higher.