In situ rapid evaluation method of quality of peach kernels based on near infrared spectroscopy

Spectrochim Acta A Mol Biomol Spectrosc. 2024 May 15:313:124108. doi: 10.1016/j.saa.2024.124108. Epub 2024 Mar 3.

Abstract

This study aimed to perform a rapid in situ assessment of the quality of peach kernels using near infrared (NIR) spectroscopy, which included identifications of authenticity, species, and origins, and amygdalin quantitation. The in situ samples without any pretreatment were scanned by a portable MicroNIR spectrometer, while their powder samples were scanned by a benchtop Fourier transform NIR (FT-NIR) spectrometer. To improve the performance of the in situ determination model of the portable NIR spectrometer, the two spectrometers were first compared in identification and content models of peach kernels for both in situ and powder samples. Then, the in situ sample spectra were transferred by using the improved principal component analysis (IPCA) method to enhance the performance of the in situ model. After model transfer, the prediction performance of the in situ sample model was significantly improved, as shown by the correlation coefficient in the prediction set (Rp), root means square error of prediction (RMSEP), and residual prediction deviation (RPD) of the in situ model reached 0.9533, 0.0911, and 3.23, respectively, and correlation coefficient in the test set (Rt) and root means square error of test (RMSET) reached 0.9701 and 0.1619, respectively, suggesting that model transfer could be a viable solution to improve the model performance of portable spectrometers.

Keywords: In situ detection; Model transfer; Peach kernels; Quality evaluation.

MeSH terms

  • Calibration
  • Least-Squares Analysis
  • Powders
  • Principal Component Analysis
  • Prunus persica*
  • Spectroscopy, Near-Infrared* / methods

Substances

  • Powders