Initially, the two spectrometers were compared to establish identification and content models for both in situ and powder samples. Subsequently, the study employed the improved principal component analysis (IPCA) method to enhance the performance of the in situ determination model for the portable NIR spectrometer (1).
The results demonstrated significant improvements in the prediction performance of the in situ model post-model transfer. The correlation coefficient in the prediction set (Rp), root means square error of prediction (RMSEP), and residual prediction deviation (RPD) reached 0.9533, 0.0911, and 3.23, respectively (1). Furthermore, the correlation coefficient in the test set (Rt) and root means square error of test (RMSET) achieved values of 0.9701 and 0.1619, respectively (1).
The in situ samples were also analyzed for their amygdalin content. The authenticity and species identification model for in situ samples using the MicroNIR spectrometer exhibited encouraging results, with correct classification and high normalized error rates (NERs) (1).
By leveraging NIR spectroscopy coupled with innovative modeling techniques, this study provides a practical and efficient solution for the evaluation of peach kernels, ensuring the improved quality of several traditional Chinese medicines.
References
(1) Yang, X.; Zhuang, X.; Shen, R.; et al. In Situ Rapid Evaluation Method of Quality of Peach Kernels Based on Near Infrared Spectroscopy. Spectrochimica Acta Part A: Mol. Biomol. Spectrosc. 2024, 313, 124108. DOI: 10.1016/j.saa.2024.124108
(2) Nowicka, P.; Wojdylo, A. Content of Bioactive Compounds in Peach Kernels and Their Antioxidant, Anti-Hyperglycemic, Anti-Aging Properties. Eur. Food Res. Technol. 2019, 245, 1123–1136.
(3) Deng, Z.; Fu, J.; Yang, M.; et al. Geographical Origin Identification of Hainan Camellia Oil Based on Fatty Acid Composition and Near Infrared Spectroscopy Combined with Chemometrics. J. Food Comp. Anal. 2024, 125, 105730. DOI: 10.1016/j.jfca.2023.105730
(4) Zhang, S.-J.; Gong, X.-C.; Qu, H. Near-infrared Spectroscopy and HPLC Combined with Chemometrics for Comprehensive Evaluation of Six Organic Acids in Ginkgo Biloba Leaf Extract. J. Pharm. Pharmacol. 2022, 74 (7), 1040–1050. DOI: 10.1093/jpp/rgab177
(5) Machado, S.; Barreiros, L.; Graca, A. R.; et al. Assessing the Differences of Two Vineyards Soils’ by NIR Spectroscopy and Chemometrics. Heliyon 2023, 9 (12), e23000. DOI: 10.1016/j.heliyon.2023.e23000