研究目的
To compare two chemometric methods, PLS and MCR-ALS, for the quantification of chemical components in FT-IR images of pretreated lignocellulosic fibers.
研究成果
MCR-ALS was found to be more reliable for obtaining realistic concentration maps when appropriate calibration samples are not available, as it provided concentration maps with a range more consistent with what is expected in natural lignocellulosic fibers.
研究不足
The main limitation is the small number of points used to build the calibration models and the little difference of concentration in the bulk samples used for calibration, which resulted in a narrow concentration range of images predicted by PLS.
1:Experimental Design and Method Selection:
The study compared PLS and MCR-ALS methods for quantifying glucans, lignin, and hemicellulose in FT-IR images of pretreated wood fibers.
2:Sample Selection and Data Sources:
Lignocellulosic fibers from three different wood pretreatment techniques were used. Conditions in each pretreatment were selected to obtain different concentrations and distribution patterns of glucans, lignins, and hemicelluloses.
3:List of Experimental Equipment and Materials:
FTIR hyperspectral images were acquired using a FT-IR Spectrum Frontier/Spotlight 400 Microscopy System with a linear array of 16 mercuric cadmium telluride (MCT) detectors.
4:Experimental Procedures and Operational Workflow:
Isolated fibers were scanned by attenuated total reflectance (ATR) using a germanium crystal. Data from images were unfolded into two dimensions, pixel and spectrum, and concatenated into an augmented matrix.
5:Data Analysis Methods:
PLS models were built using the median spectrum of the augmented ROI of each sample, and the global concentration of those samples obtained from wet chemistry methods. MCR-ALS analysis was performed using the MCR-ALS toolbox for Matlab.
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