Measurement of Soluble Solid Contents and pH of White Vinegars Using VIS/NIR Spectroscopy and Least Squares Support Vector Machine

Visible and near-infrared (VIS/NIR) spectroscopy combined with least squares support vector machine (LS-SVM) was employed to determine soluble solid contents (SSC) and pH of white vinegars. Three hundred twenty vinegar samples were distributed into a calibration set (240 samples) and a validation set (80 samples). Partial least squares (PLS) analysis was implemented for the regression model and extraction of latent variables (LVs). The selected LVs were used as LS-SVM input variables. Finally, LS-SVM models with radial basis function kernel were achieved with the comparison of PLS models. The results indicated that LS-SVM outperformed PLS models. The correlation coefficient (r), root mean square error of prediction, bias, and residual prediction deviation for the validation set were 0.988, 0.207°Brix, 0.183, and 6.4 for SSC whereas these were 0.988, 0.041, −0.002, and 6.5 for pH, respectively. The overall results indicated that VIS/NIR spectroscopy and LS-SVM could be used as a rapid alternative method for the prediction of SSC and pH of white vinegars, and the results could be helpful for the fermentation process and quality control monitoring of white vinegar production.

[1]  F. Intrigliolo,et al.  Estimation of plant nutritional status by Vis-NIR spectrophotometric analysis on orange leaves (Citrus sinensis (L) Osbeck cv Tarocco) , 2010 .

[2]  M. Forina,et al.  Study of the aging and oxidation processes of vinegar samples from different origins during storage by near-infrared spectroscopy , 2006 .

[3]  Y. Ozaki,et al.  Short-wave near-infrared spectroscopy of biological fluids. 1. Quantitative analysis of fat, protein, and lactose in raw milk by partial least-squares regression and band assignment. , 2001, Analytical chemistry.

[4]  Martin Schader,et al.  Between Data Science and Applied Data Analysis , 2003 .

[5]  A. M. Troncoso,et al.  Spectrophotometric determination of total procyanidins in wine vinegars. , 1997, Talanta.

[6]  Yi-Zeng Liang,et al.  Classification of vinegar samples based on near infrared spectroscopy combined with wavelength selection , 2011 .

[7]  Federico Pallottino,et al.  Non-destructive Estimation of Mandarin Maturity Status Through Portable VIS-NIR Spectrophotometer , 2011 .

[8]  Federico Pallottino,et al.  Nitrogen Concentration Estimation in Tomato Leaves by VIS-NIR Non-Destructive Spectroscopy , 2011, Sensors.

[9]  J. Roger,et al.  Application of LS-SVM to non-linear phenomena in NIR spectroscopy: development of a robust and portable sensor for acidity prediction in grapes , 2004 .

[10]  T. Fearn Assessing Calibrations: SEP, RPD, RER and R2 , 2002 .

[11]  Masahiro Tamai,et al.  Prediction of the concentrations of ethanol and acetic acid in the culture broth of a rice vinegar fermentation using near-infrared spectroscopy , 1997 .

[12]  P. Williams,et al.  Near-Infrared Technology in the Agricultural and Food Industries , 1987 .

[13]  Digvir S. Jayas,et al.  Wavelet Analysis of Signals in Agriculture and Food Quality Inspection , 2010 .

[14]  Min Huang,et al.  Measurement of soluble solids contents and pH in orange juice using chemometrics and vis-NIRS. , 2006, Journal of agricultural and food chemistry.

[15]  Hongjian Lin,et al.  Prediction of enological parameters and discrimination of rice wine age using least-squares support vector machines and near infrared spectroscopy. , 2008, Journal of agricultural and food chemistry.

[16]  Fei Liu,et al.  Comparison of calibrations for the determination of soluble solids content and pH of rice vinegars using visible and short-wave near infrared spectroscopy. , 2008, Analytica chimica acta.

[17]  Markus Lipp,et al.  Characterisation of Italian vinegar by pyrolysis–mass spectrometry and a sensor device (‘electronic nose’) , 1998 .

[18]  Changsheng Xie,et al.  Characterization of Chinese vinegars by electronic nose , 2006 .

[19]  Quansheng Chen,et al.  Simultaneous measurement of total acid content and soluble salt-free solids content in Chinese vinegar using near-infrared spectroscopy. , 2012, Journal of food science.

[20]  E. Anklam,et al.  Characterisation of vinegar by pyrolysis-mass spectrometry , 1998 .

[21]  Manuel Urbano-Cuadrado,et al.  Near infrared reflectance spectroscopy and multivariate analysis in enology , 2004 .

[22]  Alex B. McBratney,et al.  Multivariate calibration of hyperspectral γ‐ray energy spectra for proximal soil sensing , 2007 .

[23]  Fei Liu,et al.  Detection of Organic Acids and pH of Fruit Vinegars Using Near-Infrared Spectroscopy and Multivariate Calibration , 2011 .

[24]  Vladimir N. Vapnik,et al.  The Nature of Statistical Learning Theory , 2000, Statistics for Engineering and Information Science.

[25]  Stefano Giorgi,et al.  Development of a Rapid Soil Water Content Detection Technique Using Active Infrared Thermal Methods for In-Field Applications , 2011, Sensors.

[26]  Myrtille Vivien,et al.  Two Approaches for Discriminant Partial Least Squares , 2003 .

[27]  Consuelo Pizarro,et al.  Prediction of organic acids and other quality parameters of wine vinegar by near-infrared spectroscopy. A feasibility study , 2006 .

[28]  Elke Anklam,et al.  Food analysis and consumer protection , 2001 .

[29]  Wenjian Wang,et al.  Determination of the spread parameter in the Gaussian kernel for classification and regression , 2003, Neurocomputing.

[30]  Fei Liu,et al.  Application of successive projections algorithm for variable selection to determine organic acids of plum vinegar. , 2009 .

[31]  Giorgia Foca,et al.  Application of a wavelet-based algorithm on HS-SPME/GC signals for the classification of balsamic vinegars , 2004 .

[32]  Fei Liu,et al.  Determination of effective wavelengths for discrimination of fruit vinegars using near infrared spectroscopy and multivariate analysis. , 2008, Analytica chimica acta.

[33]  Fei Liu,et al.  Determination of acetolactate synthase activity and protein content of oilseed rape (Brassica napus L.) leaves using visible/near-infrared spectroscopy. , 2008, Analytica chimica acta.

[34]  Wendu Tesfaye,et al.  Evolution of wine vinegar composition during accelerated aging with oak chips , 2004 .

[35]  A. Belousov,et al.  Applicational aspects of support vector machines , 2002 .

[36]  Manuel Urbano-Cuadrado,et al.  Near infrared reflectance spectroscopy and multivariate analysis in enology , 2004 .

[37]  Andrea Marchetti,et al.  Application of N-PLS to gas chromatographic and sensory data of traditional balsamic vinegars of modena , 2006 .

[38]  M. Cocchi,et al.  Simultaneous determination of sugars and organic acids in aged vinegars and chemometric data analysis. , 2006, Talanta.

[39]  A. Caligiani,et al.  Identification and quantification of the main organic components of vinegars by high resolution 1H NMR spectroscopy. , 2007, Analytica chimica acta.

[40]  José Anchieta Gomes Neto,et al.  Tungsten permanent chemical modifier with co-injection of Pd(NO3)2 + Mg(NO3)2 for direct determination of Pb in vinegar by graphite furnace atomic absorption spectrometry , 2007 .

[41]  Quansheng Chen,et al.  Feasibility study on identification of green, black and Oolong teas using near-infrared reflectance spectroscopy based on support vector machine (SVM). , 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[42]  Bin Chen,et al.  Application of wavelet transforms to improve prediction precision of near infrared spectra , 2005 .

[43]  Johan A. K. Suykens,et al.  Least Squares Support Vector Machine Classifiers , 1999, Neural Processing Letters.

[44]  Fei Liu,et al.  Classification of brands of instant noodles using Vis/NIR spectroscopy and chemometrics , 2008 .

[45]  Wang Ling Method for Selecting Parameters of Least Squares Support Vector Machines and Application , 2006 .

[46]  Li Wang,et al.  [Fast detection of sugar content in fruit vinegar using NIR spectroscopy]. , 2008, Guang pu xue yu guang pu fen xi = Guang pu.

[47]  José L. F. C. Lima,et al.  Simultaneous automatic potentiometric determination of acidity, chloride and fluoride in vinegar , 1995 .