Prediction of organic carbon and total nitrogen contents in organic wastes and their composts by Infrared spectroscopy and partial least square regression

M Sisouane; M M Cascant; S Tahiri; S Garrigues; M El Krati; G El Kadiri Boutchich; M L Cervera; M de la Guardia

doi:10.1016/j.talanta.2017.02.034

Prediction of organic carbon and total nitrogen contents in organic wastes and their composts by Infrared spectroscopy and partial least square regression

Talanta. 2017 May 15:167:352-358. doi: 10.1016/j.talanta.2017.02.034. Epub 2017 Feb 20.

Authors

M Sisouane¹, M M Cascant², S Tahiri³, S Garrigues², M El Krati¹, G El Kadiri Boutchich¹, M L Cervera², M de la Guardia²

Affiliations

¹ Laboratory of Water and Environment, Department of Chemistry, Chouaïb Doukkali University, Faculty of Sciences, P.O. Box 20, El Jadida 24000, Morocco.
² Department of Analytical Chemistry, University of Valencia, 50 Dr. Moliner Street, Research Building, 46100 Burjassot, Valencia, Spain.
³ Laboratory of Water and Environment, Department of Chemistry, Chouaïb Doukkali University, Faculty of Sciences, P.O. Box 20, El Jadida 24000, Morocco. Electronic address: tahiri.s@ucd.ac.ma.

PMID: 28340731
DOI: 10.1016/j.talanta.2017.02.034

Abstract

Middle and near infrared (MIR and NIR) were employed to determine organic carbon (OC) and total nitrogen (TN) in different soil organic amendments including wastes, composts and mixtures of composts and organic wastes. Prediction models based on partial least squares (PLS) regression from the spectra of untreated samples were built. Different spectra preprocessing strategies were adopted and the best number of latent variable was evaluated using leave-one-out cross-validation. Attenuated total reflectance (PLS-ATR-MIR) and diffuse reflectance (PLS-DR-NIR) models were built and evaluated from root mean square error of cross validation and prediction (RMSECV and RMSEP), coefficients of determination for prediction (R² pred) and residual predictive deviation (RPD). ATR-MIR provided a better prediction capability than DR-NIR with RMSEP, R²pred and RPD values of 2.2%, 0.76 and 2.0 for OC and values of 0.2%, 0.82 and 2.4 for TN, respectively.

Keywords: Composts; MIR and NIR; Organic carbon; Organic wastes; Partial Least Squares (PLS); Total nitrogen.