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RESEARCH PRODUCT

Determination of total phenolic compounds in compost by infrared spectroscopy

M. SisouaneM. El KratiMercedes CascantSalvador GarriguesMaria Luisa CerveraM. De La GuardiaS. Tahiri

subject

Spectroscopy Near-InfraredCoefficient of determinationSpectrophotometry InfraredMean squared errorChemistryCompost010401 analytical chemistryNear-infrared spectroscopyAnalytical chemistryInfrared spectroscopy04 agricultural and veterinary sciencesengineering.materialResidual040401 food science01 natural sciencesCross-validation0104 chemical sciencesAnalytical ChemistrySoil0404 agricultural biotechnologyPhenolsPartial least squares regressionengineeringLeast-Squares Analysis

description

Abstract Middle and near infrared (MIR and NIR) were applied to determine the total phenolic compounds (TPC) content in compost samples based on models built by using partial least squares (PLS) regression. The multiplicative scatter correction, standard normal variate and first derivative were employed as spectra pretreatment, and the number of latent variable were optimized by leave-one-out cross-validation. The performance of PLS-ATR-MIR and PLS-DR-NIR models was evaluated according to root mean square error of cross validation and prediction (RMSECV and RMSEP), the coefficient of determination for prediction ( R pred 2 ) and residual predictive deviation (RPD) being obtained for this latter values of 5.83 and 8.26 for MIR and NIR, respectively.

https://doi.org/10.1016/j.talanta.2016.03.020