Raman spectroscopy for wine analyses: A comparison with near and mid infrared spectroscopy. 2018

Cláudia A Teixeira Dos Santos, and Ricardo N M J Páscoa, and Patrícia A L S Porto, and António L Cerdeira, and J M González-Sáiz, and C Pizarro, and João A Lopes
LAQV/REQUIMTE, Laboratório de Química Aplicada, Departamento de Ciências Químicas, Faculdade de Farmácia, Universidade do Porto, Rua de Jorge Viterbo Ferreira, 228, Porto 4050-313, Portugal.

Routine wine analysis are commonly employed to ensure the quality and safety standards, and to meet consumers' demands and legal requirements. In the last decades, efforts have been done in order to replace the traditional analytical techniques by vibrational spectroscopic techniques such as near infrared (NIR) and mid infrared (MIR) spectroscopy. The potential of these techniques has already been proved by several studies that revealed their ability for the determination of several wine parameters with high levels of precision and accuracy. Raman spectroscopy, (which is also a vibrational technique), was much less explored in the wine industry. In this work, the ability of Raman spectroscopy for routine wine analysis was evaluated and compared to NIR and MIR spectroscopy. Several calibration models were developed aiming the quantitative assessment of alcoholic strength, density, total acidity, volatile acidity, total sugars and pH in white wines. For this purpose, partial least squares (PLS) regression was employed, enabling the correlation between reference results and spectral information obtained by NIR, MIR and Raman spectroscopy. Results revealed the better performance of MIR spectroscopy for the measurement of alcoholic strength (R2P = 0.99, RMSEP=1.77%, and RER=56.41), and total acidity (R2P = 0.98, RMSEP=2.02%, and RER=49.46). Raman spectroscopy was pointed out as the most suitable for the determination of total sugars (R2P = 0.97, RMSEP=5.12%, RER=19.52), and pH (R2P = 0.90, RMSEP=4.92%, RER=20.34). The three techniques presented similar results in what referred the assessment of density (R2P = 0.96, 0.98, and 0.97, RMSEP=4.72%, 3.90%, and 3.80%, for Raman, MIR, and NIR respectively). None of the three techniques seemed to be suitable for the accurate determination of volatile acidity (R2P <0.78, RMSEP>14.32%, and RER<6.98).

UI MeSH Term Description Entries
D013055 Spectrophotometry, Infrared Spectrophotometry in the infrared region, usually for the purpose of chemical analysis through measurement of absorption spectra associated with rotational and vibrational energy levels of molecules. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) IR Spectra,Infrared Spectrophotometry,IR Spectras,Spectra, IR
D013059 Spectrum Analysis, Raman Analysis of the intensity of Raman scattering of monochromatic light as a function of frequency of the scattered light. Raman Spectroscopy,Analysis, Raman Spectrum,Raman Optical Activity Spectroscopy,Raman Scattering,Raman Spectrum Analysis,Scattering, Raman,Spectroscopy, Raman
D014920 Wine Fermented juice of fresh grapes or of other fruit or plant products used as a beverage. Wines
D019265 Spectroscopy, Near-Infrared A noninvasive technique that uses the differential absorption properties of hemoglobin and myoglobin to evaluate tissue oxygenation and indirectly can measure regional hemodynamics and blood flow. Near-infrared light (NIR) can propagate through tissues and at particular wavelengths is differentially absorbed by oxygenated vs. deoxygenated forms of hemoglobin and myoglobin. Illumination of intact tissue with NIR allows qualitative assessment of changes in the tissue concentration of these molecules. The analysis is also used to determine body composition. NIR Spectroscopy,Spectrometry, Near-Infrared,NIR Spectroscopies,Near-Infrared Spectrometries,Near-Infrared Spectrometry,Near-Infrared Spectroscopies,Near-Infrared Spectroscopy,Spectrometries, Near-Infrared,Spectrometry, Near Infrared,Spectroscopies, NIR,Spectroscopies, Near-Infrared,Spectroscopy, NIR,Spectroscopy, Near Infrared

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