Classification and quantification analysis of peach kernel from different origins with near-infrared diffuse reflection spectroscopy
Wei Liu1,2, Zhen-Zhong Wang1, Jian-Ping Qing1, Hong-Juan Li1, Wei Xiao1★★ Corresponding author
- 1State Key Laboratory of Newtech for Chinese Mdeicine Pharmaceutical Process, Jiangsu Kanion Pharmaceutical Co. Ltd., Lianyungang, Jiangsu Province, 222001, China.
- 2College of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian Liaoning province, 116600, China.
CORRESPONDENCE
Wei Xiao
State Key Laboratory of Newtech for Chinese Mdeicine Pharmaceutical Process, Jiangsu Kanion Pharmaceutical Co. Ltd., Lianyungang, Jiangsu Province, 222001, China.
Received: 03-08-2013; Revised: 25-09-2013; Accepted: 25-09-2013.
Volume 10, Issue 40 · pp. 441–442 · PUBLISHED 26 September 2014 · DOI: 10.4103/0973-1296.141814
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ABSTRACT
Background: Peach kernels which contain kinds of fatty acids play an important role in the regulation of a variety of physiological and biological functions. Objective: To establish an innovative and rapid diffuse reflectance near-infrared spectroscopy (DR-NIR) analysis method along with chemometric techniques for the qualitative and quantitative determination of a peach kernel. Materials and Methods: Peach kernel samples from nine different origins were analyzed with high-performance liquid chromatography (HPLC) as a reference method. DR-NIR is in the spectral range 1100-2300 nm. Principal component analysis (PCA) and partial least squares regression (PLSR) algorithm were applied to obtain prediction models, The Savitzky-Golay derivative and first derivative were adopted for the spectral pre-processing, PCA was applied to classify the varieties of those samples. For the quantitative calibration, the models of linoleic and oleinic acids were established with the PLSR algorithm and the optimal principal component (PC) numbers were selected with leave-one-out (LOO) cross-validation. The established models were evaluated with the root mean square error of deviation (RMSED) and corresponding correlation coefficients (R2). Results: The PCA results of DR-NIR spectra yield clear classification of the two varieties of peach kernel. PLSR had a better predictive ability. The correlation coefficients of the two calibration models were above 0.99, and the RMSED of linoleic and oleinic acids were 1.266% and 1.412%, respectively. Conclusion: The DR-NIR combined with PCA and PLSR algorithm could be used efficiently to identify and quantify peach kernels and also help to solve variety problem.
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Liu, W., Wang, Z., Qing, J., Li, H., & Xiao, W. (2014). Classification and quantification analysis of peach kernel from different origins with near-infrared diffuse reflection spectroscopy. Pharmacognosy Magazine, 10(40), 441–442. https://doi.org/10.4103/0973-1296.141814