PHYTOCHEMICAL ANALYSIS
·
2026
·
IF 2.9
Mengyuan Wu,Zhaojie Ji,Yanjiang Dong,Sitong Liu,Shuo Diao,Xintong Wang,Ju Zhao,Boya Zhang,Da Rong,Wenxin Xu,Enli Wang,Rui Niu,He Xiao,Mingming Yu,Zhihua Lv,Sherwin K. B. Sy,Hai Yang
Objectives This study aimed to develop and validate a UHPLC-MS/MS method for the simultaneous determination of 14 constituents related to Renshen Guben Oral Liquid (RSGB) in human plasma and to explore concentration–absolute neutrophil count (ANC) associations in cancer patients with chemoradiotherapy-induced neutropenia (CIN). Methods Candidate constituents were selected by integrating chemical representativeness, disease relevance, reference standard availability, and analytical feasibility, with support from network pharmacology. Plasma samples were collected from 25 patients before administration and at 1 and 2 h after RSGB administration. Samples were processed by liquid–liquid extraction using methyl tert-butyl ether or n-butanol and analyzed by UHPLC-MS/MS. Spearman correlation analysis was used to assess exploratory associations between post-dose concentrations of major quantifiable circulating constituents and ANC change from baseline to Day 15. Results The assay fulfilled predefined bioanalytical acceptance criteria and enabled simultaneous quantification of 14 RSGB-related constituents in human plasma. Ginsenoside Rb1 (G-Rb1), ginsenoside compound K (G-CK), and paeonol (PAE) were the major quantifiable circulating constituents, whereas protopanaxadiol (PPD) and protopanaxatriol (PPT) were only sporadically quantifiable. Exploratory analyses showed positive associations between concentrations of G-Rb1, G-CK, and PAE and ΔANC. Molecular docking provided complementary computational support for potential target interactions. Conclusions G-Rb1, G-CK, and PAE were the major quantifiable circulating RSGB-related constituents within the early sampling window, and their concentrations showed exploratory associations with ANC change. These findings provide complementary in vivo evidence for evaluating RSGB-related constituents.
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DOI
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2022
·Vol. 33
·期 4
·577-589
·
IF 3.024
Xiao-Lei Miao,Hui-Min Ma,Qin-Hao Ke,Shi-Yue Wang,Hong-Fu Zhou,Min Zheng
Aim To establish a fast, sensitive and accurate high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method for determining the monosaccharide content of Qingzhuan Dark Tea polysaccharides in different years (2 years, 5 years and 11 years). Methods The optimised chromatographic conditions were achieved on a C18 column (5.0 μm, 250 mm × 4.6 mm inner diameter). The mobile phase flow rate was 0.9 mL/min and the column temperature was set to 27°C. The aqueous phase A (5 mM aqueous ammonium acetate) and organic phase B (acetonitrile) were used to elute the target analyses isocratically (0–60 min: 18% B). The mass spectrometer detector was equipped with an electron spray ionisation (ESI)source, and multiple reaction monitoring (MRM) mode was used for the determination of 1-phenyl-3-methyl-5-pyrazolone (PMP) derived monosaccharides. Results We carried out a comprehensive methodological validation of PMP derived monosaccharides, including linearity, precision, stability and repeatability. Nine monosaccharides (rhamnose, mannose, ribose, glucose, galacturonic acid, xylose, galactose, fucose and arabinose) of Qingzhuan Dark Tea polysaccharides were identified, in which ribose and fucose were reported for the first time. The results showed the contents of these nine monosaccharides differed significantly among different years. Conclusions The validated method is reliable, accurate, repeatable and can be applied to quality assessment of these monosaccharides.
研究领域:
食品科学
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分析化学
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植物化学
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DOI
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
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2011
·Vol. 22
·期 6
·509-515
·
IF 1.848
Zhong-Duo Yang,Zhu-Wen Song,Jin Ren,Ming-Jun Yang,Shuo Li
Introduction Thin-layer chromatography (TLC) bioautographic method is a simple and rapid method to screen acetylcholinesterase inhibitors from plant extracts. However, the high consumption of enzyme (6 U/mL) in current methods makes the procedure expensive, which is an obstacle to scientific research centers lacking funding. Objective To develop a new low-cost TLC bioautographic method. Methodology A series of compounds, as substrates, were synthesised and their ability to be hydrolysed by acetylcholinesterase was evaluated by the HPLC method. Results 4-Methoxyphenyl acetate ( 14 ) was proved to be an appropriate substrate for TLC bioautographic assay. Therefore a new and cheap TLC bioautographic assay was set up. The mechanism of this new method is that the enzyme converts 4-methoxylphenyl acetate into 4-methoxyphenol, which reacts with a solution of potassium ferricyanide ([K 3 (FeCN) 6 ]) and iron chloride hexahydrate (FeCl 3 . 6H 2 O) to make an aquamarine blue coloured background on the TLC plates. Regions of the TLC plate which contain acetylcholinesterase inhibitors show up as light yellow spots against the background. The consumption of enzyme (1 U/mL) in the new method is low and the detection limit of two known acetylcholinesterase inhibitors, huperzine A (0.0001 μg) and physostigmine (0.001 μg), for this assay are close to published values. Conclusion A low-cost TLC bioautographic method was developed, which will benefit research groups pursuing natural acetylcholinesterase inhibitors. Copyright © 2011 John Wiley & Sons, Ltd.
研究领域:
药理学
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植物化学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2017
·Vol. 28
·期 4
·332-343
·
IF 2.292
Qing Wang,Yao Long,Lin Yao,Mao Ye,Li Xu
Introduction Traditional methods for isolating and purifying quaternary ammonium alkaloids from Coptis chinensis do not discriminate the target alkaloids from co-extractives. Mixed-mode analytical chromatography has the potential to improve the separation of analytes in more complex extracts and, when used in a solid-phase extraction mode, improve the purity of isolated compounds. Objective To examine the high-performance liquid chromatographic separation capabilities of a mixed-mode, silica-based adsorbent and its application to the purification of quaternary ammonium alkaloids from Coptis chinensis based on solid-phase extraction. Methodology The C18-COOH silica was prepared via “thiol-ene” click chemistry. Its chromatographic performance was firstly investigated. It was employed as the solid-phase extraction sorbent to purify quaternary ammonium alkaloids. Results Hydrophobic, attractive/repulsive electrostatic and ion-exchange interactions were demonstrated to be the possible retention mechanisms of a C18-COOH silica stationary phase, which could separate analytes of various properties. In addition, to purify quaternary ammonium alkaloids from Coptis chinensis, the solid-phase extraction approach based on the C18-COOH silica provided a slightly higher purification efficiency (6.7%) than an alkaloid-salt precipitation protocol (5.3%). The method had satisfactory reproducibility, re-using the same solid-phase extraction column three times, with relative standard deviations ranging from 1.99% to 8.02% for the six target alkaloids. Conclusion A multi-functionalised silica was synthesised via “click chemistry”. As the high-performance liquid chromatographic stationary phase, the C18-COOH silica could be operated in trimodal reversed-phase/weak cation exchange/hydrophilic interaction mode. The C18-COOH silica also exhibited potential as solid-phase extraction sorbent in the purification of quaternary ammonium alkaloids from complex matrices. Copyright © 2017 John Wiley & Sons, Ltd.
研究领域:
药学
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分析化学
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PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2018
·Vol. 29
·期 6
·639-648
·
IF 2.337
Yaqian Ma,Menghan Liu,Ting Tan,Aiping Yan,Lan Guo,Kun Jiang,Changheng Tan,Yiqun Wan
Introduction Camellia oleifera flowers are rich in flavonoids, but there has been little attention on their application. A simple and reliable method for determining the content of flavonoids in C. oleifera flowers would be very helpful for the utilisation of agriculture resources. Objective To develop an efficient analytical method for the determination of flavonoids in C. oleifera flowers by high-performance liquid chromatography-ultraviolet (HPLC-UV) detection. Methodology Preparing an environmentally-friendly and effective solvent – deep eutectic solvents (DESs) – for compound extraction. Then investigating the influential factors of ultrasound-assisted extraction with DESs by the Box–Behnken design combined with response surface methodology. Results DES-5 synthesised with choline chloride and lactic acid (1:2) acquired excellent extractability for four flavonoids (quercetin 3- O -rhamnoside, kaempferol 3- O -rhamnoside and their aglycones) with different polarity. The proposed method, which could simultaneously determine four flavonoids with HPLC-UV detection for the first time, displays satisfactory recovery yields and high precision with inter-day relative standard deviation lower than 5.80%. Conclusion DESs could be promising solvents for efficiently and selectively extracting bioactive compounds from plant materials, and the analytical method for flavonoids of C. oleifera flowers could provide reference value for its application and be used in other plant resources.
研究领域:
分析化学
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植物化学
·
农业科学
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PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Xiaofei Yue,Li Feng,Chenglong Sun,Lu Wang
Introduction Angelica sinensis is one of the most popular traditional Chinese medicines (TCM) and has been extensively used to treat various diseases. Hundreds of endogenous ingredients have been isolated and identified from this herb, but their spatial distribution within the plant root is largely unknown. Objectives In this study, we tried to investigate and map within-tissue spatial distribution of metabolites in Angelica sinensis roots. Material and Methods After optimization of experiment conditions, the 1,5-diaminonaphthalene (1,5-DAN) was chosen as the matrix and was sprayed on the surface of root sections. Then matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) was employed to perform in situ detection and obtain detail spatial distribution information of metabolites in Angelica sinensis roots. Results The spatial distributions of a wide range of metabolites including organic acids, amino acids, oligosaccharides, and phospholipids were characterized and visualized in Angelica sinensis roots. Majority of these metabolites were located in the phloem and xylem, while ferulic acid was mainly present in the cork layer. The results revealed a dramatic metabolic heterogeneity among different regions of the roots and distinct spatial distribution patterns of different metabolites. Additionally, the metabolic pathways involved in the biosynthesis of choline were also successfully localized and visualized. Conclusion This study comprehensively characterized the spatial distribution of metabolites in Angelica sinensis roots, which would prompt the understanding of its chemical separation, biosynthesis, and pharmacological activities.
研究领域:
中药学
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植物代谢组学
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药理学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Shanghong Li,Cuifen Fang,Sinan Wang,Hsiuting Chang,Cheng Zheng,Yi Wang,Yu Tang
Introduction Despite significant advances in analytical methods, the quality evaluation and adulteration detection of chemically complex traditional Chinese medicines continues to be a major challenge. Objectives We developed a custom diffusion-ordered spectroscopy (DOSY) approach for the qualitative analysis of precious Calculus Bovis (CB) and detection of its adulterants. Methods Using Artificial Calculus Bovis as an example, we focused on the effects of NMR spectrometers, solvent viscosity, matrices, matrix concentration, and temperature on separation efficiency of DOSY. The optimal conditions also successfully applied for the identification of Natural Calculus Bovis, Calculus Bovis Sativus, and adulterated samples. The accuracy of DOSY was verified by 13 C NMR. Results Via inspection of NMR spectrometers, solvents, matrices, matrix concentration, and temperature, the optimal conditions for DOSY experiments of CB were found to be using methanol- d 4 as the solvent, adding 4 mg of polyvinyl pyrrolidone (PVP) as the matrix, and a temperature of 298 K. Under these conditions, five types of compounds, cholic acid (CA), deoxycholic acid (DCA), hyodeoxycholic acid (HDCA), taurine-conjugated bile acids (tBAs), and glycine-conjugated bile acids (gBAs), were unequivocally identified in three types of CB. 13 C NMR validated the accuracy of the DOSY results. As for the sugar-adulterated CB, the signals of sugar could be clearly identified on the DOSY spectrum. Conclusions This study verified the feasibility of DOSY for the quality evaluation of CB and provided a reference point for future qualitative and quantitative analysis of other complex traditional Chinese medicines, as well as the characterization of adulterated samples.
研究领域:
中药学
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分析化学
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2025
·
IF 2.6
Jing Xu,Yulong Zhu,Yi Wei,Peirong Gan,Shilin Xia,Ya Li,Xiaoman Jiang,Yan Wang,Hong Wu
Introduction Rheumatoid arthritis (RA) is a chronic autoimmune disease that primarily manifests with symptoms such as heat and toxin. However, the key components and molecular mechanisms of Zhizi Baipi decoction (ZBD) in the treatment of RA are still unclear. Objectives The study aimed to explore the mechanism of action of ZBD for treating RA through ingredient analysis, network pharmacology, and experimental validation. Material and Methods The chemical constituents of ZBD were identified by ultra-high performance liquid chromatography coupled with Q-TOF-mass spectrometry (UPLC-Q-TOF-MS E ). Additionally, the active ingredients of ZBD treating RA were screened by network pharmacology and using molecular docking to verify the binding energy of the active ingredients and ZBD's targets. Then we elucidated ZBD's mechanism of action on collagen-induced arthritis (CIA) model rats. Subsequently, experimental validations were used to validate the findings of network pharmacology. Results A total of 84 chemical constituents was identified by UPLC-Q-TOF-MS E . The results of network pharmacology indicated that ZBD could exert its therapeutic effect on RA through the vascular endothelial growth factor (VEGF) pathway. Molecular docking revealed a strong binding capacity between the target KDR and the active ingredients. Additionally, we quantified the five active ingredients of ZBD. In vivo experiments demonstrated that ZBD inhibited synovial angiogenesis and alleviated the occurrence and progression of RA. Conclusion Overall, ZBD has a significant therapeutic effect on RA. The results of qualitative analysis, network pharmacology, molecular docking, and in vivo experiments indicated that the main active components of ZBD could modulate the VEGF pathway to treat RA.
研究领域:
药理学
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免疫学
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分子生物学
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中医
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2024
·
IF 3
Yanni Tai,Mintong Zhao,Feng Ding,Gelin Wu,Haibin Qu,Ping Gong,Yongjian Xie,Peng Zhou,Xingchu Gong
Introduction Despite numerous successful cases, there are still some challenges in using analytical quality by design (AQbD) for the development of analytical methods. Knowledge organization helps to enhance the objectivity of risk assessment, reduce the number of preliminary exploratory experiments, identify potential critical method parameters (CMPs) and their scope. Objective In the present study, we aimed to develop a simple, rapid, and robust analytical method for detecting phenolic compounds in Xiaochaihu capsule intermediates utilizing knowledge organization. Methods Knowledge organization and AQbD were combined to obtain the initial analytical conditions through knowledge collection, extraction, reorganization, and analysis. The quantitative relationship between critical method attributes (CMAs) and CMPs was then established by a definitive screening design. The method operable design region was calculated using an exhaustive Monte Carlo approach based on the probability of reaching the standard. Robustness investigation and methodological validation were finally performed. Results Analytical target profiles, CMAs, potential CMPs, and initial analytical conditions were initially identified, and the optimized ranges of operating parameters were obtained. A UHPLC method was successfully established for the analysis of phenolic compounds in ginger–ginger pinellia percolate, and the method validation outcomes were also satisfactory. Conclusion The developed method can be a reliable means to detect the phenolic compounds of Xiaochaihu capsule intermediates. Knowledge organization provides a new approach for making better use of prior knowledge, significantly enhancing the efficiency of analytical method development. The approach is versatile and can be similarly applied to the development of other methods.
研究领域:
分析化学
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药学
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化学计量学
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质量保证
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2024
·Vol. 35
·期 6
·1428-1442
·
IF 3
Sijie Zhang,Xingchu Gong,Haibin Qu
Introduction Previously reported preparation methods of Ginkgo biloba leaf extract (EGBL) have mainly focused on the enrichment of flavonoid glycosides (FG) and terpene trilactones (TT), which led to the underutilization of G. biloba leaves (GBL). Objectives To make full use of GBL, in this study, a comprehensive optimization strategy for preparing EGBL by macroporous resin column chromatography was proposed and applied to enrich FG, TT, and shikimic acid (SA) from GBL. Methodology Initially, the static adsorption and desorption were executed to select suitable resin. Then, the influences of solution pH were investigated by the static and dynamic adsorption. Subsequently, eight process parameters were systematically investigated via a definitive screening design (DSD). After verification experiments, scale-up enrichment was carried out, investigating the feasibility of the developed strategy for application on an industrial scale. Results It was found that XDA1 was the most appropriate adsorbent for the preparation of EGBL at solution pH 2.0. Furthermore, based on the constraints of the desired quality attributes, the optimized ranges of operating parameters were successfully acquired, and the verification experiments demonstrated the accuracy and reliability of using DSD to investigate the chromatography process for the preparation of EGBL. Finally, magnified experiments were successfully performed, obtaining the EGBL containing 26.54% FG, 8.96% TT, and 10.70% SA, which reached the SA level of EGB761, an international standard EGBL. Conclusion The present study not only provided an efficient and convenient approach for the preparation of EGBL enriched in SA but also accelerated efforts to high-value utilization of GBL.
研究领域:
植物化学
·
中药学
·
分离纯化技术
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DOI
PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2024
·
IF 3
Haiwen Zhang,Shanshan Chu,Lu Jiang,Qingyun Chan,Zhenyu Zhang,Ming'en Cheng
Introduction Corydalis DC., the largest genus of Papaveraceae, comprises numerous species known for their abundant alkaloid content and historical use in clinical medicine. Recently, a new species of genus Corydalis named Corydalis huangshanensis Lu Q. Huang & H. S. Peng was discovered in the Huangshan Mountains of Anhui Province, China. Objective To compare the chemical characteristics of C. huangshanensis and other 13 Corydalis species, aiming to elucidate the potential medicinal value of this new species. Materials and Methods The chemical constituents of C. huangshanensis and other 13 medicinal plants of genus Corydalis were analyzed using ultra-high-performance liquid chromatography Q-Exactive Plus hybrid quadrupole-Orbitrap mass spectrometer (Q-Orbitrap) mass technology. The differences in the alkaloids in the 14 species were distinguished by chemometrics. Results The mass spectrometry fragmentation information and relative content of 72 alkaloids were obtained. Orthogonal partial least squares discriminant analysis (OPLS-DA) and cluster heat mapping analysis showed that these 14 species were divided into two groups. The clustering relationship between C. huangshanensis and C. decumbens (Thunb.) Pers. was similar, exhibiting similar chemical compositions and characteristics. These results indicate the potential pharmacological effects of C. huangshanensis . Conclusion This study enhances our understanding of the chemical classification of Corydalis and provides a basis for speculations on the medicinal value of C. huangshanensis .
研究领域:
生药学
·
分析化学
·
药用植物研究
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）