Fast Detection of Heavy Metal Content in Fritillaria thunbergii by Laser-Induced Breakdown Spectroscopy with PSO-BP and SSA-BP Analysis.

Fast detection of heavy metals is important to ensure the quality and safety of herbal medicines. In this study, laser-induced breakdown spectroscopy (LIBS) was applied to detect the heavy metal content (Cd, Cu, and Pb) in Fritillaria thunbergii. Quantitative prediction models were established using a back-propagation neural network (BPNN) optimized using the particle swarm optimization (PSO) algorithm and sparrow search algorithm (SSA), called PSO-BP and SSA-BP, respectively. The results revealed that the BPNN models optimized by PSO and SSA had better accuracy than the BPNN model without optimization. The performance evaluation metrics of the PSO-BP and SSA-BP models were similar. However, the SSA-BP model had two advantages: it was faster and had higher prediction accuracy at low concentrations. For the three heavy metals Cd, Cu and Pb, the prediction correlation coefficient (Rp2) values for the SSA-BP model were 0.972, 0.991 and 0.956; the prediction root mean square error (RMSEP) values were 5.553, 7.810 and 12.906 mg/kg; and the prediction relative percent deviation (RPD) values were 6.04, 10.34 and 4.94, respectively. Therefore, LIBS could be considered a constructive tool for the quantification of Cd, Cu and Pb contents in Fritillaria thunbergii.

Heavy Metal Detection in Fritillaria thunbergii Using Laser-Induced Breakdown Spectroscopy Coupled with Variable Selection Algorithm and Chemometrics.

Environmental and health risks associated with heavy metal pollution are serious. Human health can be adversely affected by the smallest amount of heavy metals. Modeling spectrum requires the careful selection of variables. Hence, simple variables that have a low level of interference and a high degree of precision are required for fast analysis and online detection. This study used laser-induced breakdown spectroscopy coupled with variable selection and chemometrics to simultaneously analyze heavy metals (Cd, Cu and Pb) in Fritillaria thunbergii. A total of three machine learning algorithms were utilized, including a gradient boosting machine (GBM), partial least squares regression (PLSR) and support vector regression (SVR). Three promising wavelength selection methods were evaluated for comparison, namely, a competitive adaptive reweighted sampling method (CARS), a random frog method (RF), and an uninformative variable elimination method (UVE). Compared to full wavelengths, the selected wavelengths produced excellent results. Overall, RC2, RV2, RP2, RSMEC, RSMEV and RSMEP for the selected variables are as follows: 0.9967, 0.8899, 0.9403, 1.9853 mg kg-1, 11.3934 mg kg-1, 8.5354 mg kg-1; 0.9933, 0.9316, 0.9665, 5.9332 mg kg-1, 18.3779 mg kg-1, 11.9356 mg kg-1; 0.9992, 0.9736, 0.9686, 1.6707 mg kg-1, 10.2323 mg kg-1, 10.1224 mg kg-1 were obtained for Cd Cu and Pb, respectively. Experimental results showed that all three methods could perform variable selection effectively, with GBM-UVE for Cd, SVR-RF for Pb, and GBM-CARS for Cu providing the best results. The results of the study suggest that LIBS coupled with wavelength selection can be used to detect heavy metals rapidly and accurately in Fritillaria by extracting only a few variables that contain useful information and eliminating non-informative variables.

Deep Learning Combined with Hyperspectral Imaging Technology for Variety Discrimination of Fritillaria thunbergii.

Traditional Chinese herbal medicine (TCHM) plays an essential role in the international pharmaceutical industry due to its rich resources and unique curative properties. The flowers, stems, and leaves of Fritillaria contain a wide range of phytochemical compounds, including flavonoids, essential oils, saponins, and alkaloids, which may be useful for medicinal purposes. Fritillaria thunbergii Miq. Bulbs are commonly used in traditional Chinese medicine as expectorants and antitussives. In this paper, a feasibility study is presented that examines the use of hyperspectral imaging integrated with convolutional neural networks (CNN) to distinguish twelve (12) Fritillaria varieties (n = 360). The performance of support vector machines (SVM) and partial least squares-discriminant analysis (PLS-DA) was compared with that of convolutional neural network (CNN). Principal component analysis (PCA) was used to assess the presence of cluster trends in the spectral data. To optimize the performance of the models, cross-validation was used. Among all the discriminant models, CNN was the most accurate with 98.88%, 88.89% in training and test sets, followed by PLS-DA and SVM with 92.59%, 81.94% and 99.65%, 79.17%, respectively. The results obtained in the present study revealed that application of HSI in conjunction with the deep learning technique can be used for classification of Fritillaria thunbergii varieties rapidly and non-destructively.