Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy

Valderrama, Patrícia; Braga, Jez Willian Batista; Poppi, Ronei J.

doi:10.1590/s0103-50532007000200003

Cited by 56 publications

(46 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…Brix can be defined as the percentage in weight, or in volume, of soluble solids expressed as sucrose. In sugar cane juice it is a quantitative measurement of the total solids (including sugars), not giving any qualitative information about which sugars are present in the final product [5]. Polarizable sugar (POL) is a measurement of the amount of sucrose in the mixture of sugars, because in it, only sucrose diverts the plane of polarized light [6].…”

Section: Issn: 2319-7706 Volume 6 Number 9 (2017) Pp 3025-3032mentioning

confidence: 99%

Sugarcane/Sugarcane Juice Quality Evaluation by FT-NIR Spectrometer

Tripathi¹,

Singh²,

Mali³

et al. 2017

Int.J.Curr.Microbiol.App.Sci

View full text Add to dashboard Cite

Section: Issn: 2319-7706 Volume 6 Number 9 (2017) Pp 3025-3032mentioning

confidence: 99%

Sugarcane/Sugarcane Juice Quality Evaluation by FT-NIR Spectrometer

Tripathi¹,

Singh²,

Mali³

et al. 2017

Int.J.Curr.Microbiol.App.Sci

View full text Add to dashboard Cite

“…To statistically check the PLS model, some figures of merit were determined as proposed by Valderrama et al, 41 and these values are presented in Table 4.…”

Section: Resultsmentioning

confidence: 99%

“…Table 3 shows the mean predicted values and the errors determined for each value in applying the full cross validation process, with the prediction errors being lower than 13 g 100 g -1 . One replicate spectrum of each of the following samples was taken out of the PLS model, for being outlier, with elevated Student residues: TP5, TP13, TP14 and TP20.To statistically check the PLS model, some figures of merit were determined as proposed by Valderrama et al,41 and these values are presented in Table 4.The limits of detection (LOD) and quantification (LOQ) are below the lowest measured value for TiO 2 concentration in all samples. The t-test, in turn, allowed concluding that the systematic errors in the model are not significant and can be disregarded since the calculated Braz.…”

mentioning

confidence: 99%

Fast direct determination of titanium dioxide in toothpastes by X-Ray fluorescence and multivariate calibration

Schwab¹,

Da-Col²,

Terra³

et al. 2012

J. Braz. Chem. Soc.

View full text Add to dashboard Cite

Recentemente, o dióxido de titânio foi classificado como potencialmente carcinogênico pela International Agency for Research on Cancer (IARC). Dióxido de titânio é um pigmento geralmente utilizado como opacificante em cremes dentais, porém sua concentração não é indicada nos rótulos dos produtos. Neste estudo, 22 amostras de cremes dentais foram calcinadas a 800 ºC e o teor de TiO 2 foi determinado por fluorescência de raios X por energia dispersiva (EDXRF) através do método de parâmetros fundamentais (FP). As mesmas amostras foram irradiadas in natura por 100 s e, através da correlação dos espectros e das concentrações anteriormente determinadas, um modelo multivariado de calibração foi construído. Oito variáveis latentes descreveram o modelo de regressão de mínimos quadrados parciais (PLS) com erros médios de 9,5%, indicando que além do pico referente ao titânio, as informações do espalhamento da radiação também são importantes para minimizar os erros ao usar uma calibração univariada. A rapidez das análises, com mínimo pré-tratamento das amostras, é a grande vantagem do método, que tem frequência analítica de 24 determinações por hora.Recently, the International Agency for Research on Cancer (IARC) has classified titanium dioxide as potentially carcinogenic. Titanium dioxide is a pigment generally used as opacifying agent in toothpastes, but there is no indication of the percentage of this oxide in these products. In this work, 22 distinct toothpaste samples were calcinated at 800 °C and TiO 2 concentration was determined with energy dispersive X-Ray fluorescence (EDXRF) via fundamental parameter (FP) method. The same samples were irradiated in natura for 100 s and through the correlation of spectra and concentrations formerly determined, a multivariate calibration model was constructed. Eight latent variables described the partial least square regression (PLS) model with average errors of 9.5%, indicating that beyond the peak of titanium, the information of the X-Ray scattering irradiation is also important to minimize errors when using an univariate calibration. As a major advantage, the method allows analysis without pretreatment of the samples, with a throughput of 24 determinations per hour.Keywords: toothpaste, titanium dioxide, X-ray fluorescence, partial least square regression, chemometrics IntroductionAmong the common habits used for tooth conservation, the frequent use of dentifrices, mainly in the form of pastes, can be considered the most practiced. Before being presented as pastes, the first dentifrices were commercialized as powders in 1850, in the United States of America. 1 Toothpaste popularization occurred when it was presented in flexible metallic tubes. 2 Nowadays, the chemical composition of toothpastes varies from one brand to another, and even among several presentations of the same brand. They are composed by substances which act as abrasives, pigments, foam inducers, humectants, thickeners, stabilizers, solvents, sweeteners, therapeutic agents, enamel hardeners, etc. Other substances...

show abstract

“…It can be noted a high determination coefficient (R 2 ), indicating that the model can explain the real data with 92.87% of adjustment. In works to determine the quality of sugar cane by means of near infra red spectroscopy, R 2 = 0.99 between the Brix values and the values obtained by the model was obtained [11].…”

Section: Comparison Of Brix Values Obtained Through Nir and Refractommentioning

confidence: 99%

Sugar Cane (Saccharum officinarum L.) Analysis through Biospeckle and Spectroscopy (NIR)

Marcondes¹,

Silva²,

Fujii³

et al. 2017

JAST-B

View full text Add to dashboard Cite

Abstract:The objective of this paper was to evaluate the sugar and water content in sugar cane samples by means of two non-destructive techniques in comparison with conventional methods. One non-destructive technique is the Biospeckle, an interaction between the laser and the biological material which provides information about the material. The other technique is the near infrared spectroscopy (NIR). The Biospeckle technique has been constantly used in agricultural engineering. In this paper, the relation between the water and the sugar contents were obtained. The results for the Biospeckle were acquired through the moment of inertia (MI). The data acquired through already consolidated methodologies were used to quantify the samples' water and sugar contents, correlating to the spectroscopy results and also to the Biospeckle. It was obtained a high determination coefficient (R 2 = 0.9287) between the predicted Brix by the model generated by NIR spectroscopy and Brix measured by refractometer. It was also possible to differentiate the water contents of the sugar cane samples both externally lit (husk) and internally lit (cut) by Biospeckle analysis through the calculation of MI. It is possible to evaluate the water content and the sugar content in samples combining Biospeckle and NIR spectroscopy, which are non-invasive and non-destructive methods.

show abstract

Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy

Cited by 56 publications

References 19 publications

Sugarcane/Sugarcane Juice Quality Evaluation by FT-NIR Spectrometer

Sugarcane/Sugarcane Juice Quality Evaluation by FT-NIR Spectrometer

Fast direct determination of titanium dioxide in toothpastes by X-Ray fluorescence and multivariate calibration

Sugar Cane (Saccharum officinarum L.) Analysis through Biospeckle and Spectroscopy (NIR)

Contact Info

Product

Resources

About