NIR spectroscopy coupled with chemometric algorithms for the prediction of cadmium content in rice samples

Abstract

Fast determination of heavy metals is necessary and important to ensure the safety of crops. The potential of near-infrared spectroscopy coupled with chemometric technology for quantitative analysis of cadmium in rice was investigated. A total of 825 rice samples were collected and scanned by NIRS. The Kennard–Stone method was applied to divide the samples into calibration and validation sets. Before modeling, the spectrum was preprocessed using first derivation to reduce the baseline shift. Different chemometric tools such as interval partial least squares, moving window partial least squares, synergy interval partial least squares, and backward interval partial least squares were proposed to extract and optimize spectral interval from full-spectrum data. The performance of the calibration models generated on the basis of different regression algorithms was compared and evaluated. Results showed that the PLS models based on four chemometric algorithms outperformed the full-spectrum PLS model. Among the tools, biPLS performed better with the optimal subinterval selection. The root-mean-square error of prediction and correlation coefficient (R) of the biPLS model were 0.2133 and 0.9020, respectively. In addition, the low root-mean-square error of cross-validation was obtained in biPLS, which was 0.1756. NIRS technology combined with biPLS could be considered as an effective and convenient tool for primary screening and measuring of cadmium content in rice. In comparison with classical methodologies, this new technology was beneficial because of its eco-friendliness, fast analysis, and virtually no sample preparation required.