Modeling Soil Organic Carbon Content Using Mid-Infrared Absorbance Spectra and a Nonnegative MCR-ALS Analysis

A new approach based on mid-IR absorbance spectra is proposed for modeling total organic carbon (TOC) content of soils. This approach involves a first-time bilinear decomposition of soil mid-IR absorbance spectra using nonnegative multivariate curve resolution (MCR) with an alternating least squares...

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Veröffentlicht in:Soil & Environmental Health 2024-11, p.100123, Article 100123
Hauptverfasser: Borisover, Mikhail, Lado, Marcos, Levy, Guy J.
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Sprache:eng
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Zusammenfassung:A new approach based on mid-IR absorbance spectra is proposed for modeling total organic carbon (TOC) content of soils. This approach involves a first-time bilinear decomposition of soil mid-IR absorbance spectra using nonnegative multivariate curve resolution (MCR) with an alternating least squares (ALS) algorithm. An MCR-ALS-derived component signifies a chemically meaningful combination of soil constituents. A new mechanistic model has been developed to link the soil composition, expressed in terms of ratios of MCR-ALS-based concentration scores of the identified components, to soil TOC value. Nonnegative MCR-ALS decomposition, performed for 213 mid-IR absorbance spectra of soil samples collected in the north and south of Israel, yielded four components. Fitting the mechanistic model-derived TOC to the experimental TOC values exhibited a TOC content threshold that affected model performance. TOC content
ISSN:2949-9194
2949-9194
DOI:10.1016/j.seh.2024.100123