title: Multivariate Calibration and Model Integrity for Wood Chemistry Using Fourier Transform Infrared Spectroscopy.
abstract: This research addressed a rapid method to monitor hardwood chemical composition by applying Fourier transform infrared (FT-IR) spectroscopy, with particular interest in model performance for interpretation and prediction. Partial least squares (PLS) and principal components regression (PCR) were chosen as the primary models for comparison. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set to collect the original data. PLS was found to provide better predictive capability while PCR exhibited a more precise estimate of loading peaks and suggests that PCR is better for model interpretation of key underlying functional groups. Specifically, when PCR was utilized, an error in peak loading of ±15 cm(-1) from the true mean was quantified. Application of the first derivative appeared to assist in improving both PCR and PLS loading precision. Research results identified the wavenumbers important in the prediction of extractives, lignin, cellulose, and hemicellulose and further demonstrated the utility in FT-IR for rapid monitoring of wood chemistry.
authors.affiliation: Forest Products Development Center, School of Forestry and Wildlife Sciences, Auburn University, 520 Devall Drive, Auburn, AL 36849, USA ; Center for Bioenergy and Bioproducts, Biosystems Engineering, Auburn University, 520 Devall Drive, Auburn, AL 36849, USA.
authors.forename: Chengfeng
authors.initials: C
authors.lastname: Zhou
authors.affiliation: Forest Products Development Center, School of Forestry and Wildlife Sciences, Auburn University, 520 Devall Drive, Auburn, AL 36849, USA ; College of Textiles, Qingdao University, 308 Ningxia Road, Qingdao 266071, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Jiang
authors.affiliation: Forest Products Development Center, School of Forestry and Wildlife Sciences, Auburn University, 520 Devall Drive, Auburn, AL 36849, USA.
authors.forename: Qingzheng
authors.initials: Q
authors.lastname: Cheng
authors.affiliation: Forest Products Development Center, School of Forestry and Wildlife Sciences, Auburn University, 520 Devall Drive, Auburn, AL 36849, USA ; Center for Bioenergy and Bioproducts, Biosystems Engineering, Auburn University, 520 Devall Drive, Auburn, AL 36849, USA.
authors.forename: Brian K
authors.initials: BK
authors.lastname: Via