The effect of sample storage and homogenisation techniques on the chemical composition and near infrared spectra of white grapes

Abstract not availableWieslawa Cynkar, Daniel Cozzolino, Robert G. Damberg

Measurement of condensed tannins and dry matter in red grape homogenates using near infrared spectroscopy and partial least squares

Samples (n = 620) of homogenized red grape berries were analyzed using a visible and near-infrared (NIR) spectrophotometer (400-2500 nm) in reflectance. The spectra and the analytical data were used to develop partial least-squares calibrations to predict dry matter (DM) content and condensed tannins (CT) concentrations. The coefficient of determination in cross-validation and the standard error of cross-validation were 0.92 and 0.83% w/w for DM and 0.86 and 0.46 mg/g epicatechin equivalents for CT, respectively. The standard error in prediction was 1.34% w/w for DM and 0.89 mg/g epicatechin equivalents for CT, respectively. By implementing a NIR spectroscopy method to measure DM and CT in red grape homogenates, we have developed an approach that is suited to large-scale compositional analysis in commercial wine production facilities, as it enables the analysis of large numbers of samples needed to stream batches of fruit. From an economical point of view, the calibration models could be achieved with relatively small data sets. Thus, NIR offers a suitable and efficient tool for the simultaneous measurement of DM and CT in addition to other important parameters in red grape homogenates such as total anthocyanins, total soluble solids, and pH, with minimal sample preparation and low cost.Daniel Cozzolino, Wies U. Cynkar, Robert G. Dambergs, Meagan D. Mercurio, and Paul A. Smit

The determination of red grape quality parameters using the LOCAL algorithm

In a study of visible (vis) and near infrared (NIR) spectra collected from grape samples representing many growing vintages, varieties and regions, WinISI LOCAL performed better than modified partial least squares in the prediction of anthocyanin and pH. However, both algorithms performed equally well for the prediction of total soluble solids (TSS). Calibrations for anthocyanins and pH relied mainly on the visible wavelengths, but pH calibrations may result from pH effects on the spectral properties of anthocyanin. On the other hand, calibrations for TSS relied mainly on NIR wavelengths. An examination of the LOCAL match sets showed that, in addition to spectral matching, there appeared to be concomitant compositional matching, possibly due to dominant spectral features related to the relevant analyte. Observations imply that calibrations for anthocyanins, pH and TSS in grapes are not restrained by vintage, variety and region. A more important factor in determining a robust, global application may be to ensure that the full concentration range of the analyte is well represented in the calibration database

Rapid measurement of methyl cellulose precipitable Ttannins using ultraviolet spectroscopy with chemometrics: application to red wine and inter-laboratory calibration transfer

Information relating to tannin concentration in grapes and wine is not currently available simply and rapidly enough to inform decision-making by grape growers, winemakers, and wine researchers. Spectroscopy and chemometrics have been implemented for the analysis of critical grape and wine parameters and offer a possible solution for rapid tannin analysis. We report here the development and validation of an ultraviolet (UV) spectral calibration for the prediction of tannin concentration in red wines. Such spectral calibrations reduce the time and resource requirements involved in measuring tannins. A diverse calibration set (n = 204) was prepared with samples of Australian wines of five varieties (Cabernet Sauvignon, Shiraz, Merlot, Pinot Noir, and Durif), from regions spanning the wine grape growing areas of Australia, with varying climate and soils, and with vintages ranging from 1991 to 2007. The relationship between tannin measured by the methyl cellulose precipitation (MCP) reference method at 280 nm and tannin predicted with a multiple linear regression (MLR) calibration, using ultraviolet (UV) absorbance at 250, 270, 280, 290, and 315 nm, was strong (r(2)val = 0.92; SECV = 0.20 g/L). An independent validation set (n = 85) was predicted using the MLR algorithm developed with the calibration set and gave confidence in the ability to predict new samples, independent of the samples used to prepare the calibration (r(2)val = 0.94; SEP = 0.18 g/L). The MLR algorithm could also predict tannin in fermenting wines (r(2)val = 0.76; SEP = 0.18 g/L), but worked best from the second day of ferment on. This study also explored instrument-to-instrument transfer of a spectral calibration for MCP tannin. After slope and bias adjustments of the calibration, efficient calibration transfer to other laboratories was clearly demonstrated, with all instruments in the study effectively giving identical results on a transfer set.Robert G. Dambergs, Meagan D. Mercurio, Stella Kassara, Daniel Cozzolino, and Paul A. Smit