Issue 18, 2024, Issue in Progress

Quantitative analysis of the illegal addition of Atenolol in Panax notoginseng based on NIR–MIR spectral data fusion and calibration transfer

Abstract

To address the issue of the common illegal addition of Atenolol in Panax notoginseng, we propose an approach that realizes multivariate calibration transfer between different particle sizes based on near-infrared (NIR) and mid-infrared (MIR) spectral data fusion. To achieve high prediction accuracy, we construct three data fusion schemes (full-spectrum fusion, feature-level fusion, and decision-level fusion) that combine NIR and MIR spectral data. Among three data fusion schemes, the feature-level fusion based on the UVE-SPA-PLS model for 120-mesh spectral data achieves optimal prediction accuracy. Here, a Piecewise Direct Standardization (PDS) algorithm has been applied to calibration transfer from 100-mesh and 80-mesh to 120-mesh to reduce the influence of particle size and improve the robustness of the model. The correlation coefficient (R2) of 100-mesh, and 80-mesh prediction sets can reach 0.9861 and 0.9823, respectively. The corresponding root mean square error (RMSE) are 0.1545 and 0.2045, respectively. This research provides a method for illegal additions in precious herbs and reduces the effect of particle size on spectral modeling, enabling high-precision quantitative detection. In addition, it has important application prospects in reducing experimental losses of precious medicinal materials and ensuring the safe use of Chinese and Western medicines, which provides an alternative method for non-destructive testing.

Graphical abstract: Quantitative analysis of the illegal addition of Atenolol in Panax notoginseng based on NIR–MIR spectral data fusion and calibration transfer

Article information

Article type
Paper
Submitted
30 Nov 2023
Accepted
09 Apr 2024
First published
17 Apr 2024
This article is Open Access
Creative Commons BY license

RSC Adv., 2024,14, 12428-12437

Quantitative analysis of the illegal addition of Atenolol in Panax notoginseng based on NIR–MIR spectral data fusion and calibration transfer

J. Du, Z. Huang, C. Li and L. Jiang, RSC Adv., 2024, 14, 12428 DOI: 10.1039/D3RA08183D

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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