Fast Determination of the Composition of Pretreated Sugarcane Bagasse Using Near-Infrared Spectroscopy

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Fast Determination of the Composition of Pretreated Sugarcane Bagasse Using Near-Infrared Spectroscopy Ursula Fabiola Rodríguez-Zúñiga & Cristiane Sanchez Farinas & Renato Lajarim Carneiro & Gislene Mota da Silva & Antonio Jose Gonçalves Cruz & Raquel de Lima Camargo Giordano & Roberto de Campos Giordano & Marcelo Perencin de Arruda Ribeiro

# Springer Science+Business Media New York 2014

Abstract The chemical composition of pretreated sugarcane bagasse (SCB), in terms of cellulose, hemicellulose and lignin, was analyzed using a fast near-infrared spectroscopy (NIR) technique. Spectra of four types of SCB, prepared using ammonia, hydrothermal, organosolv, and sodium hydroxide pretreatments, were correlated with results of classical chemical analyses using partial least squares (PLS) regression. In a novel approach, isolation of the components used to prepare synthetic samples of SCB permitted assessment of their influence on the model. Inclusion of the synthetic samples did not improve the performance of the model, due to structural differences such as chemical bonding and physical interactions between the components. For natural pretreated samples, the PLS technique showed good predictive capacity in the ranges (%, w/w) of 47.2–89.4 (cellulose), 0.2–27.0 (hemicellulose), and 2.1–30.0 (lignin) with low root-meansquare error values of 4.1, 3.8, and 3.5, respectively, and coefficient of determination higher than 0.80, demonstrating

Electronic supplementary material The online version of this article (doi:10.1007/s12155-014-9488-7) contains supplementary material, which is available to authorized users. U. F. Rodríguez-Zúñiga (*) : G. M. da Silva : A. J. G. Cruz : R. de Lima Camargo Giordano : R. de Campos Giordano : M. P. de Arruda Ribeiro Department of Chemical Engineering, Federal University of São Carlos, Rod. Washington Luís, Km 235, CP 676, 13565-905 São Carlos, SP, Brazil e-mail: [email protected] U. F. Rodríguez-Zúñiga : C. S. Farinas Embrapa Instrumentation, Rua XV de Novembro 1452, 13560-970 São Carlos, SP, Brazil R. L. Carneiro Department of Chemistry, Federal University of São Carlos, Rod. Washington Luís, Km 235, CP 676, 13565-905 São Carlos, SP, Brazil

the suitability of using different pretreated samples in the same calibration model. Keywords Near-infrared spectroscopy . Partial least squares . Pretreated sugarcane bagasse . Lignocellulose composition Abbreviations SCB Sugarcane bagasse NIR Near infrared PLS Partial least squares PCA Principal component analysis RMSECV Root-mean-square error of cross-validation RMSEP Root-mean-square error of prediction R2CV Coefficient of determination of cross-validation R2EV Coefficient of determination of external validation RPD Residual predictive deviation

Introduction The availability of sugarcane bagasse (SCB) as a feedstock for biofuel, together with the well-developed ethanol production chain, represents a unique opportunity in Brazil for a biorefinery-based economy. One of the crucial issues for the commercialization of bioenergy conversion processes is