Near Infrared Spectroscopy Calibration for Wood Chemistry: Which Chemometric Technique Is Best for Prediction and Interpretation?

Via, Brian; Zhou, Chengfeng; Acquah, Gifty; Jiang, Wei; Eckhardt, Lori

doi:10.3390/s140813532

Near Infrared Spectroscopy Calibration for Wood Chemistry: Which Chemometric Technique Is Best for Prediction and Interpretation?

Journal Article · Fri Jul 25 00:00:00 EDT 2014 · Sensors

DOI:https://doi.org/10.3390/s140813532· OSTI ID:1628544

Via, Brian ^[1]; Zhou, Chengfeng ^[2]; Acquah, Gifty ^[3]; Jiang, Wei ^[4]; Eckhardt, Lori ^[5]

Auburn Univ., AL (United States). School of Forestry and Wildlife Sciences. Forest Products Development Center; DOE/OSTI
Auburn Univ., AL (United States). School of Forestry and Wildlife Sciences. Forest Products Development Center; Auburn Univ., AL (United States). Center for Bioenergy and Bioproducts, Biosystmes Engineering
Auburn Univ., AL (United States). School of Forestry and Wildlife Sciences. Forest Products Development Center
Auburn Univ., AL (United States). School of Forestry and Wildlife Sciences. Forest Products Development Center; Qingdao Univ. (China). College of Textiles
Auburn Univ., AL (United States). School of Forestry and Wildlife Sciences. Forest Health Dynamics Lab.

This paper addresses the precision in factor loadings during partial least squares (PLS) and principal components regression (PCR) of wood chemistry content from near infrared reflectance (NIR) spectra. The precision of the loadings is considered important because these estimates are often utilized to interpret chemometric models or selection of meaningful wavenumbers. Standard laboratory chemistry methods were employed on a mixed genus/species hardwood sample set. PLS and PCR, before and after 1st derivative pretreatment, was utilized for model building and loadings investigation. As demonstrated by others, PLS was found to provide better predictive diagnostics. However, PCR exhibited a more precise estimate of loading peaks which makes PCR better for interpretation. Application of the 1st derivative appeared to assist in improving both PCR and PLS loading precision, but due to the small sample size, the two chemometric methods could not be compared statistically. This work is important because to date most research works have committed to PLS because it yields better predictive performance. But this research suggests there is a tradeoff between better prediction and model interpretation. Future work is needed to compare PLS and PCR for a suite of spectral pretreatment techniques.

View Accepted Manuscript (DOE)

Research Organization:: Auburn Univ., AL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER); National Natural Science Foundation of China (NNSFC); National Natural Science Foundation of Shandong Province; Special Foundation of Taishan Scholar Construction and National Science & Technology Pillar Program

Grant/Contract Number:: EE0001036

OSTI ID:: 1628544

Journal Information:: Sensors, Journal Name: Sensors Journal Issue: 8 Vol. 14; ISSN 1424-8220

Publisher:: MDPI AGCopyright Statement

Country of Publication:: United States

Language:: English

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