title: Rapid analysis of composition and reactivity in cellulosic biomass feedstocks with near-infrared spectroscopy.
abstract: BACKGROUND
  Obtaining accurate chemical composition and reactivity (measures of carbohydrate release and yield) information for biomass feedstocks in a timely manner is necessary for the commercialization of biofuels. Our objective was to use near-infrared (NIR) spectroscopy and partial least squares (PLS) multivariate analysis to develop calibration models to predict the feedstock composition and the release and yield of soluble carbohydrates generated by a bench-scale dilute acid pretreatment and enzymatic hydrolysis assay. Major feedstocks included in the calibration models are corn stover, sorghum, switchgrass, perennial cool season grasses, rice straw, and miscanthus.
  
  
  RESULTS
  We present individual model statistics to demonstrate model performance and validation samples to more accurately measure predictive quality of the models. The PLS-2 model for composition predicts glucan, xylan, lignin, and ash (wt%) with uncertainties similar to primary measurement methods. A PLS-2 model was developed to predict glucose and xylose release following pretreatment and enzymatic hydrolysis. An additional PLS-2 model was developed to predict glucan and xylan yield. PLS-1 models were developed to predict the sum of glucose/glucan and xylose/xylan for release and yield (grams per gram). The release and yield models have higher uncertainties than the primary methods used to develop the models.
  
  
  CONCLUSIONS
  It is possible to build effective multispecies feedstock models for composition, as well as carbohydrate release and yield. The model for composition is useful for predicting glucan, xylan, lignin, and ash with good uncertainties. The release and yield models have higher uncertainties; however, these models are useful for rapidly screening sample populations to identify unusual samples.
authors.affiliation: National Bioenergy Center, National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO 80401 USA.
authors.forename: Courtney E
authors.initials: CE
authors.lastname: Payne
authors.affiliation: National Bioenergy Center, National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO 80401 USA.
authors.forename: Edward J
authors.initials: EJ
authors.lastname: Wolfrum
keywords: Biofuels; Biomass conversion; Cellulosic biomass; Compositional analysis; Enzymatic hydrolysis; FT-NIR; Herbaceous feedstocks; High-throughput assay; Multivariate analysis; NIR spectroscopy; PLS; Pretreatment; Reactivity
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