Heliyon
·
2024
·
IF 3.4
Wenying Zhou,Xue Han,Yanjun Wu,Guochao Shi,Shiqi Xu,Mingli Wang,Wenzhi Yuan,Jiahao Cui,Zelong Li
Rapid, universal and accurate identification of chemical composition changes in multi-component traditional Chinese medicine (TCM) decoction is a necessary condition for elucidating the effectiveness and mechanism of pharmacodynamic substances in TCM. In this paper, SERS technology, combined with grating-like SERS substrate and machine learning method, was used to establish an efficient and sensitive method for the detection of TCM decoction. Firstly, the grating-like substrate prepared by magnetron sputtering technology was served as a reliable SERS sensor for the identification of TCM decoction. The enhancement factor (EF) of 4-ATP probe molecules was as high as 1.90 × 10 7 and the limit of detection (LOD) was as low as 1 × 10 −10 M. Then, SERS technology combined with support vector machine (SVM), decision tree (DT), Naive Bayes (NB) and other machine learning algorithms were used to classify and identify the three TCM decoctions, and the classification accuracy rate was as high as 97.78 %. In summary, it is expected that the proposed method combining SERS and machine learning method will have a high development in the practical application of multi-component analytes in TCM.
研究领域:
分析化学
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中药学
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生物信息学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2019
·
IF 3.858
Fenqi Ji,Rongrong Jin,Chen Luo,Chunhui Deng,Yaoming Hu,Li Wang,Rongchang Wang,Jiabin Zhang,Guoxin Song
In this paper, a novel core–shell structure magnetic microsphere Fe 3 O 4 @SiO 2 -TPM@StVp(Fe 3 O 4 @SiO 2 -3-(trimethoxysilyl)propyl methacrylate@styrene and n -vinylpyrrolidone) was successfully synthesized and used as a magnetic solid-phase extraction adsorbent for extraction of aristolochic acid I (AAI) in traditional Chinese medicine soup. The prepared Fe 3 O 4 @SiO 2 -TPM@StVp was characterized by transmission electron microscopy (TEM), scanning electron microscopy (SEM), vibrating sample magnetometer (VSM) and Fourier-transform infrared spectroscopy (FT-IR). The microspheres have various advantages of excellent hydrophilicity and π-electron system, which is very suitable for determining target analytes followed by high performance liquid chromatography (HPLC). The main factors, including the pH of samples, amount of adsorbent, adsorption time, elution solvent and desorption time, were optimized. Under optimal conditions, the proposed method showed a wide linear range of 0.4–10 µg/mL and a good correlation coefficient ( R 2 = 0.9918). The pretreatment procedure was achieved within 10 min. The recoveries of aristolochic acid I in real samples range from 80.9% to 89.6% with relative standard deviations less than 4.9%, highlighting the accuracy of this method.
研究领域:
分析化学
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中药学
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毒理学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Peng Yang,Hu-Dong Lv,Jie Wu,Fang Long,Jing Zhou,Cheng-Ying Wu,Jin-Di Xu,Shan-Shan Zhou,Qing-Ling Xiao,Song-Lin Li,Hong Shen
Introduction The role of macromolecular components in traditional Chinese medicines (TCMs) decoction remains poorly understood, primarily because of their structural complexity and limited systemic bioavailability. In the modernization of TCMs' decoctions, macromolecular components are often removed as “poor bioavailable impurities” by ethanol precipitation that might attenuate the efficacy thereof. Purpose A novel strategy integrating LC–MS-based serum pharmacochemistry, network pharmacology, and pharmacodynamics was developed to reveal the role of macromolecular components in TCMs' decoction, using Qi-Huo-Yi-Fei decoction (QH) treating chronic obstructive pulmonary disease (COPD) as a case study. Materials and Methods QH was separated into macromolecular components (QH-M) and small molecular components (QH-S) by ethanol precipitation. The absorbed components of QH and QH-S in serum were qualitatively and semiquantitatively analyzed by UPLC-QTOF-MS/MS. The differences in targets and pathways of the absorbed components were predicted by network pharmacology analysis. The therapeutic effects on pulmonary function, histopathology, and inflammation of QH, QH-S, and QH-M were comparatively investigated on a COPD rat model. Result A total of 103 components were identified in QH and QH-S, whereas 86 and 72 were detectable in QH- or QH-S-treated serum, respectively. The highest levels of absorbed components appeared from 15 to 60 min for QH-S and at 15 min for QH. The concentrations of most absorbed components of QH were twofold higher than those of QH-S. Their protein–protein interaction (PPI), herb–component–target networks, and GO/KEGG enrichment pathways were quite different, mainly in inflammatory, immunity, and cell apoptosis processes. QH-M improved pulmonary function, histopathology, and inflammatory infiltration, mainly on FVC ( p < 0.05), thickness/external diameter ( p < 0.01), Wac/Pbm ( p < 0.01), TNF-α ( p < 0.01), and IL-17 ( p < 0.05). Meanwhile, QH was more effective than QH-S, mainly on FEV0.3/FVC, MAN, GC/CC, TNF-α, and IL-17. Conclusion QH-M was not only effective independently on COPD but also showed integrative effects with the coexisting QH-S in improving their absorption, thus strengthening the component–target interactions, and consequently contributing to the COPD therapeutic effects of QH. Therefore, it was confirmed that QH-M was essential for QH's COPD therapy and should not be removed during the modern preparation development.
研究领域:
药理学
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分析化学
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系统生物学
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中医药学
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呼吸医学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）