Prediction of total and volatile acidity in red wines by Fourier-transform mid-infrared spectroscopy and iterative predictor weighting

  1. Pizarro, C. 1
  2. González-Sáiz, J.M. 1
  3. Esteban-Díez, I. 1
  4. Orio, P. 2
  1. 1 Universidad de La Rioja
    info

    Universidad de La Rioja

    Logroño, España

    ROR https://ror.org/0553yr311

  2. 2 Bodegas Riojanas S.A., Carretera de la Estación 1-21, La Rioja, Cenicero 26350, Spain
Revista:
Analytical and Bioanalytical Chemistry

ISSN: 1618-2642

Año de publicación: 2011

Volumen: 399

Número: 6

Páginas: 2061-2072

Tipo: Artículo

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DOI: 10.1007/S00216-010-4356-6 PMID: 21042907 SCOPUS: 2-s2.0-79951723591 WoS: WOS:000286982900012 GOOGLE SCHOLAR

Otras publicaciones en: Analytical and Bioanalytical Chemistry

Resumen

Fourier-transform mid-infrared (FT-MIR) spectroscopy, combined with partial least-squares (PLS) regression and IPW as feature selection method, was used to develop reduced-spectrum calibration models based on a few IR bands to provide near-real-time predictions of two key parameters for the characterization of finished red wines, which are essential from a quality assurance standpoint: total and volatile acidity. Separate PLS calibration models, correlating IR data (only considering those regions showing a high signal to noise ratio) with each response studied, were developed. Wavenumber selection was also performed applying IPW-PLS to take into account only significant predictors, in an attempt to improve the quality of the final models constructed. Using both PLS and IPW-PLS regression, prediction of the two responses modelled was performed with very high reliability, with RMSECV and RMSEP values on the order of 1% (comparable in terms of accuracy to the results provided by the respective reference analysis methods). An important advantage derived from the application of the IPW-PLS method had to do with the low number of original variables needed for modelling both total acidity (22 significant wavenumbers) and volatile acidity (only 11 selected predictor variables), in such a way that variable selection contributed to enhance the stability and parsimony properties of the final calibration models. The high quality of the calibration models proposed encourages the feasibility of implementing them as a fast and reliable tool in routine analysis for the determination of critical parameters for wine quality. © Springer-Verlag 2010.