Multisource spectral fusion combined with variable selection for rapid geographical origin discrimination of Salvia miltiorrhiza

Salvia miltiorrhiza: is a widely used Chinese medicinal herb whose quality is significantly influenced by geographical origin. Establishing reliable methods for origin identification is therefore crucial for quality assurance. In this study, 67 batches of <i>Salvia miltiorrhiza</i> samples from Shandong, Shanxi, Henan, and Sichuan provinces were analyzed using near-infrared (NIR) and mid-infrared (MIR) spectroscopy combined with chemometric techniques. Six preprocessing methods were applied to optimize spectral data, and PLS-DA models were constructed based on the optimized results. To further improve model performance, uninformative variable elimination (UVE), competitive adaptive reweighted sampling (CARS), and random forest (RF) were employed for variable selection. Discriminant models were then established using NIR, MIR, and fused (NIR + MIR) data, with performance evaluated by accuracy. Results showed that in NIR, the 2nd-RF-PLS-DA model achieved the best performance with 96.72% accuracy, while in MIR, the SG-UVE-PLS-DA model reached 98.33% accuracy. After integrating NIR and MIR data, the 2nd-UVE-PLS-DA model achieved 100% accuracy, demonstrating the strongest discriminative capability. These findings demonstrate that combining NIR and MIR spectroscopy with appropriate preprocessing and variable selection strategies fully exploits complementary spectral information, enabling the construction of rapid, reliable, and efficient discriminant models. This approach provides an effective tool for origin tracing of <i>Salvia miltiorrhiza</i> and serves as a methodological reference for advancing quality evaluation of other Chinese herbal medicines.

Authors

Institutions

Publication Details

Journal
Frontiers in Chemistry
Published
2025-12-09
DOI
https://doi.org/10.3389/fchem.2025.1730996
Primary Topic
Spectroscopy and Chemometric Analyses
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Multisource spectral fusion combined with variable selection for rapid geographical origin discrimination of Salvia miltiorrhiza

Jing Yao, Qi Wang, Yue Jiao, Xiaoying Duan et al.
Frontiers in Chemistry
Spectroscopy and Chemometric Analyses
article

Multisource spectral fusion combined with variable selection for rapid geographical origin discrimination of Salvia miltiorrhiza

Jing Yao, Qi Wang, Yue Jiao, Xiaoying Duan, Xinjing Gui, Xiaoming Wu, Ruixin Liu
article en

Abstract

Salvia miltiorrhiza: is a widely used Chinese medicinal herb whose quality is significantly influenced by geographical origin. Establishing reliable methods for origin identification is therefore crucial for quality assurance. In this study, 67 batches of <i>Salvia miltiorrhiza</i> samples from Shandong, Shanxi, Henan, and Sichuan provinces were analyzed using near-infrared (NIR) and mid-infrared (MIR) spectroscopy combined with chemometric techniques. Six preprocessing methods were applied to optimize spectral data, and PLS-DA models were constructed based on the optimized results. To further improve model performance, uninformative variable elimination (UVE), competitive adaptive reweighted sampling (CARS), and random forest (RF) were employed for variable selection. Discriminant models were then established using NIR, MIR, and fused (NIR + MIR) data, with performance evaluated by accuracy. Results showed that in NIR, the 2nd-RF-PLS-DA model achieved the best performance with 96.72% accuracy, while in MIR, the SG-UVE-PLS-DA model reached 98.33% accuracy. After integrating NIR and MIR data, the 2nd-UVE-PLS-DA model achieved 100% accuracy, demonstrating the strongest discriminative capability. These findings demonstrate that combining NIR and MIR spectroscopy with appropriate preprocessing and variable selection strategies fully exploits complementary spectral information, enabling the construction of rapid, reliable, and efficient discriminant models. This approach provides an effective tool for origin tracing of <i>Salvia miltiorrhiza</i> and serves as a methodological reference for advancing quality evaluation of other Chinese herbal medicines.

Frontiers in ChemistryVol. 13
Henan University of Traditional Chinese Medicine (CN), Shandong Institute for Product Quality Inspection (CN), First Affiliated Hospital of Henan University (CN), Sichuan Academy of Traditional Chinese Medicine (CN)
Henan University of Chinese Medicine, Henan University
Openalex Percentile: Top 58%
Spectroscopy and Chemometric Analyses
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.