MOLECULES
·
2017
·Vol. 22
·期 11
·1927
·
IF 2.861
Yanni Cao,Shengzuo Fang,Zhiqi Yin,Xiangxiang Fu,Xulan Shang,Wanxia Yang,Huimin Yang
Cyclocarya paliurusis an edible and medicinal plant containing various bioactive components with significant health benefits. A combinative method using high-performance liquid chromatography (HPLC) fingerprint and quantitative analysis was developed and successfully applied for characterization and quality evaluation ofC. paliurusleaves collected from 18 geographical locations of China. For the fingerprint analysis, 21 common peaks were observed among the 18 samples, and these peaks were identified by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC–Q–TOF–MS), while a simultaneous quantification of 16 markers was conducted to interpret the variations of contents of these bioactive compounds among theC. paliurusleaves from different geographical locations. Quantification results showed that the contents of these sixteen investigated compounds varied greatly among the leaves from different locations. The developed new method would be a valuable reference for further study and development of this bioactive plant.Keywords:Cyclocarya paliurus;fingerprint;HPLC–Q–TOF–MS;quantitative analysis;quality evaluation
研究领域:
生药学
·
分析化学
·
植物科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2015
·
IF 2.729
Xia Wu,Yan Li,Qiu Wang,Weimin Li,Yifan Feng
A rapid and reliable ultra-performance liquid chromatography coupled with electrospray ionization/quadrupole-time-of-flight mass spectrometry (U-HPLC/Q-TOF-MS) has been firstly used to analyze the changes of plasma phospholipids, in type 2 diabetes mellitus (T2DM) mice after administration of berberine and pomegranate seed oil (PSO). The separation of plasma phospholipids was carried out on an Acquity U-HPLC BEH C18 column (2.1 mm × 50 mm, 1.7 μm, Waters) by linear gradient elution using a mobile phase consisting of 10 mM ammonium formate in water and acetonitrile: isopropanol (1:1, v/v) mixed solution added by 0.25% water and 10 mM ammonium formate. The method demonstrated a good precision and reproducibility. Linear regression analysis showed a good linearity. And potential biomarkers were discovered based on their mass spectra and chemometrics methods. The results demonstrated that the proposed U-HPLC/Q-TOF-MS method was successfully applied to analyze the dynamic changes of phospholipids components in plasma of T2DM mice after drug treatment and could provide a useful data base for meriting further study in humans and investigating pharmacological actions of drugs.
研究领域:
药理学
·
代谢组学
·
分析化学
✓ 已验证
DOI
高影响因子
PLANTA MEDICA
·
2022
·Vol. 88
·期 14
·1369-1383
·
IF 3.007
Song Mengmeng,Xu Zhuicheng,Han Sixuan,Sheng Xianjie,Chen Yan,Li Xinru,Su Yan,Li Qin,Shan Chenxiao,Xie Tong,Kang An
Agrimonia pilosa is a perennial herbaceous flowering plant, commonly known as agrimony or hairy agrimony. The dried aerial parts of this species have been widely used for the treatment of acute diarrhea, hemostasis, and other inflammation-related diseases. However, information on the in vivo metabolism of A. pilosa constituents is limited. In this study, the phytochemical profile of A. pilosa was investigated using HPLC-Q-TOF-MS/MS combined with a nontargeted diagnostic ion network analysis strategy. An information-dependent acquisition method with multiple filters was utilized to screen possible prototypes and metabolites in complex biological matrices. Furthermore, various data-processing techniques were applied to analyze possible prototypes and their metabolites in rat plasma, feces, and urine following oral administration of A. pilosa extract. A total of 62 compounds, which belonged to five main structural classes (21 phenols, 22 flavonoids, 6 coumarins, 3 triterpenes, and 10 organic acids), were tentatively identified in A. pilosa. In addition, using our proposed stepwise method, 32 prototypes and 69 metabolites were detected in rat plasma, feces, and urine. The main metabolic pathways after the oral administration of A. pilosa extract were revealed to include methylation, dihydroxylation, demethylation, hydrolysis, sulfation, and glucuronidation. This comprehensive in vivo and in vitro identification of the possible active components in A. pilosa could provide a basis for understanding its various pharmacological activities.
研究领域:
药理学
·
分析化学
·
代谢组学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD AND DRUG ANALYSIS
·
2020
·
IF 4.727
Li Li,Meng-Lin Fan,Ya-Nan Li,Ya-Xuan Huang,Xiu-Feng Liu,Ji-Hua Liu
Proprotein convertase subtilisin/kexin type 9 (PCSK9) is an attractive target for new cholesterol-lowering drug development. Here, we developed a method integrating ligand fishing, HPLC-Q-TOF-MS and interdisciplinary assay, aiming to explore potential PCSK9 inhibitors from mixtures rapidly and accurately. PCSK9 was expressed and purified firstly, and then the recombined PCSK9 was coated on the surface of magnetic beads (MBs). The PCSK9-immobilized MBs (PCSK9-MBs) were used for ligand fishing combined with HPLC and Q-TOF-MS/MS. Ginkgo biloba leaves (GBL), an herbal medicine widely used in Asia and Europe with good efficacy in treatment of hypercholesterolemia, were chosen as an illustration for ligand fishing. Two PCSK9 ligands were discovered from GBL and identified as kaempferol-3-O-rutinoside (1) and kaempferol 3-O-26″-(6‴-p-coumaroyl) glucosylrhamnoside (KCGR) (2). In order to verify fishing results and pick out more powerful PCSK9 inhibitors, molecular docking assay was further performed and KCGR was optimized to be an excellent PCSK9 inhibitor by the confirmation of affinity and activity bioassay. These results suggested that the developed approach could be applied to screen and analysis potential bioactive constituents from mixtures, which may improve the efficiency of drug discovery. Moreover, KCGR separated from GBL was expected to be a potential candidate of PCSK9 inhibitors.
研究领域:
药理学
·
分析化学
·
分子生物学
·
药物发现
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2017
·
IF 3.086
Xiaoqin Wang,Qiumei Zeng,María del Mar Contreras,Lijuan Wang
In Asia, tea seed oils (seed oils from Camellia oleifera , C. chekiangoleosa , and C. sinensis ) are used in edible, medicinal, and cosmetic applications. However, these oils differ in their fatty acid contents, and there is little known about their phenolic compounds . Here we analyzed the phenolic compounds of seed oils from three species gathered from 15 regions of China. Twenty-four phenolic compounds were characterized by HPLC-Q-TOF-MS, including benzoic acids (6), cinnamic acids (6), a hydroxyphenylacetic acid, flavanols (4), flavonols (3), flavones (2), and dihydroflavonoids (2). Some of these phenolic compounds had not previously been reported from C. sinensis (20), C. oleifera (15), and C. chekiangoleosa (24) seed oils. Quantification was done by HPLC-QqQ-MS using 24 chemical standards. The total concentrations in the studied samples ranged from 20.56 to 88.56 μg/g. Phenolic acids were the most abundant class, accounting for 76.2–90.4%, with benzoic acid, found at up to 18.87 μg/g. The concentration of catechins, typical of tea polyphenols, ranged between 2.1% and 9.7%, while the other flavonoids varied from 4.2% to 17.8%. Although the cultivation region affected the phenolic composition of the Camellia seed oils, in our hierarchical clustering analysis, the samples clustered according to species. The phenolic composition of the seed oils from C. oleifera and C. chekiangoelosa were similar. We found that the phenolic categories in Camellia seed oils were similar to tea polyphenols, thereby identifying a source of liposoluble tea polyphenols and potentially accounting for some of the reported activities of these oils. In addition, this work provides basic data that allows distinction of various Camellia seed oils, as well as improvements to be made in their quality standards.
研究领域:
植物化学
·
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 9
·2865
·
IF 4.927
Xiuqiong Huang,Wei Gao,Xuan Yun,Zhixing Qing,Jianguo Zeng
In recent years, synthetic antioxidants that are widely used in foods have been shown to cause detrimental health effects, and there has been growing interest in antioxidants realised from natural plant extracts. In this study, we investigate the potential effects of natural antioxidant components extracted from the forage plant marigold on the oxidative stability of soybean oil. First, HPLC-Q-TOF-MS/MS was used with 1,1-diphenyl-2-picrylhydrazyl (DPPH) to screen and identify potential antioxidant components in marigold. Four main antioxidant components were identified, including quercetagetin-7-O-glucoside (1), quercetagetin (2), quercetin (3) and patuletin (4). Among them, quercetagetin (QG) exhibited the highest content and the strongest DPPH radical scavenging activity and effectively inhibited the production of oxidation products in soybean oil during accelerated oxidation, as indicated by reductions in the peroxide value (PV) and acid value (AV). Then, the fatty acids and volatile compounds of soybean oil were determined with gas chromatography–mass spectrometry (GC-MS) and headspace solid-phase microextraction–gas chromatography–mass spectrometry (HS-SPME-GC-MS). A total of 108 volatile components, including 16 alcohols, 23 aldehydes, 25 ketones, 4 acids, 15 esters, 18 hydrocarbons, and 7 other compounds, were identified. QG significantly reduced the content and number of aldehydes and ketones, whereas the formation of acids and hydrocarbons was completely prevented. In addition, the fatty acid analysis demonstrated that QG significantly inhibited oxidation of unsaturated fatty acids. Consequently, QG was identified as a potential, new natural antioxidant that is believed to be safe, effective and economical, and it may have potential for use in plant extracts feed additives.Keywords:Tagetes erectaL.;quercetagetin;DPPH-HPLC-Q-TOF/MS;HS-SPME-GC-MS;oxidative stability
研究领域:
植物学
·
食品科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2018
·
IF 2.831
Guoyong Xie,Qiuhong Xu,Ran Li,Lu Shi,Yu Han,Yan Zhu,Gang Wu,Minjian Qin
The dried flowers and inflorescences of Buddleja officinalis Maxim are used as traditional medicines in China, and aqueous extracts of the flowers have also been used since ancient times as a yellow rice colorant at local festivals. In this study, HPLC-Q-TOF-MS/MS was used to determine the overall chemical composition of this medicine-food plant. A total of 54 compounds, including 23 flavonoids, 19 phenylethanoid glycosides, 7 alkaloids and 5 other compounds, were detected in the methanol extracts of the herb using this method. Among them, 35 compounds were found firstly in this herb. HPLC fingerprints were also developed, together with a method for the simultaneous quantification of 11 constituents that could be used for quality evaluation of B. officinalis . Fingerprint analysis, using 28 characteristic fingerprint peaks, was used to assess the similarities among 12 samples collected from different geographic areas and showed that the similarity was >0.900. Simultaneous quantification of 11 markers in B. officinalis was then performed to determine consistency of quality. Additionally, the total phenolic content and antioxidant capacity of extracts of the 12 samples of B. officinalis flowers were measured using spectroscopic methods. B. officinalis was found to have good antioxidant capacity and to be a potential natural antioxidant. The highest antioxidant capacity was found in the samples from Guizhou, Sichuan and Guangxi Province. Our results provide valuable information for further understanding and exploiting the herb.
研究领域:
生药学
·
分析化学
·
中药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2026
·
IF 2.5
Meng-Chao Wen,Ji-Yue Li,QianQian Sun,Chen Hu,SuLan Ju,Fang Tian,BiQing Chen,ChenYao Li,YanMei Liu,Jin-Yong Zhou,Jun Dong
Network pharmacological analysis of RGG was performed based on HPLC-Q-TOF-MS/MS. • RGG alleviates liver fibrosis and suppresses hepatic stellate cell activation. • RGG exerts anti-fibrotic effects through autophagy mediated by the PTEN/AKT/mTOR signaling pathway. To clarify the bioactive constituents and anti-fibrotic mechanisms of Rougan Granules (RGG), this study utilized HPLC-Q-TOF-MS/MS to identify its chemical profile, followed by network pharmacology and molecular docking to explore potential targets. In vivo, RGG was administered at different doses to mice with carbon tetrachloride (CCl 4 )-induced liver fibrosis. The attenuation of liver injury by RGG was evaluated via serum biochemical profiling, histological staining, and western blot analysis. In vitro, platelet-derived growth factor-BB (PDGF-BB) was used to activate LX-2 cells, and the mechanisms of RGG in suppressing hepatic stellate cell (HSC) activation were validated via immunofluorescence and western blot. Furthermore, autophagic flux was monitored using laser scanning confocal microscopy in LX-2 cells transfected with mRFP1-EGFP-LC3B lentivirus. A total of 120 chemical constituents were identified, with network pharmacology analysis indicating that quercetin, genistein, and kaempferol might serve as the primary bioactive components of RGG. Functional enrichment analysis revealed that common targets were significantly enriched in the phosphoinositide 3-kinase/protein kinase B (PI3K/AKT) signaling pathway. Molecular docking confirmed that these key components exhibited stable binding affinities for phosphatase and tensin homolog (PTEN) and AKT1. Both in vivo and in vitro experiments validated that RGG upregulates PTEN expression to inhibit the AKT/mechanistic target of rapamycin (mTOR) signaling pathway. Furthermore, RGG was shown to exert anti-fibrotic effects by inducing HSC autophagy through the modulation of this pathway. These findings reveal that RGG attenuates liver fibrosis via PTEN/AKT/mTOR-mediated autophagy, supporting its therapeutic potential.
✓ 已验证
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2026
·
IF 8.7
Xiaona Cao,Gailing Tang,Xing Fan,Xinyu Gao,Tianxin Wang,Xiaohan Zhang,Wenjie Wang,Hao Wang
Establishing a chitosan microsphere-immobilized α-amylase system. • Identifying procyanidin B 2 as the core α-amylase inhibitory component within apple polyphenols. • Elucidating the inhibitory mechanism of procyanidin B 2 through multi-technique integration. Inhibition of α-amylase (PPA) delays starch digestion and glucose absorption, serving as an effective means to regulate postprandial hyperglycemia. Apple polyphenols (APE) exhibits PPA inhibitory activity, but their core active components and mechanisms of action remain unclear. This study employed immobilized enzyme coupled with HPLC-Q-TOF-MS/MS to screen PPA inhibitors from APE and elucidate their mechanisms of action.Using amino-modified chitosan microspheres as carriers, PPA was covalently immobilized via genipin-mediated Schiff base reaction. The optimal immobilization conditions were optimized (crosslinking agent concentration 0.17%, enzyme concentration 1 mg/mL, crosslinking 6 h, immobilization 14 h), establishing a stable screening system. APE was fractionated into 9 components by solvent precipitation, with component F 3 exhibiting the most potent inhibitory activity. Based on the aforementioned techniques, 4 active compounds were identified from F 3 , and validation confirmed that procyanidin B 2 (PC B 2 ) demonstrated the most effective inhibitory effect. In vitro experiments and multi-technology validation demonstrated that PC B 2 could delay starch hydrolysis and reduce the production of reducing sugars to regulate postprandial blood glucose, exhibiting reversible competitive inhibition against PPA (IC 50 = 0.25 mg/mL). It could bind to PPA and alter its secondary and tertiary structures, inducing intrinsic protein fluorescence quenching through static quenching. The binding of the two components triggered an exothermic reaction, forming a stable complex. Download: Download high-res image (140KB) Download: Download full-size image
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2023
·
IF 4.1
Yujie Guo,Puyang Gong,Yin Qian,Haichun Liu,Boyang Yu,Jin Qi
In the present study, a comprehensive strategy integrating affinity ultrafiltration high-performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UF-HPLC-Q-TOF-MS), in silico molecular docking and bioassays was established to rapidly screen natural SOD activators from traditional Chinese medicines. As illustrative case studies, Schisandra chinensis, Fructus cnidii and Radix ophiopogonis were chosen to develop and verify the strategy. The HPLC-Q-TOF-MS was used to identify the compounds in comparison with reference standards and literature data. A total of eight compounds, including four biphenyl-cyclooctene ligands from Schisandra chinensis and four coumarins from Fructus cnidii, were found to potentially increase SOD activities. No ligands were found in the extract of Radix ophiopogonis. Then, in silico molecular docking was performed to investigate the binding site and binding affinity of the candidates on SOD. Compared to the nonspecific ligands screened from the extract, the specific ligands presented stronger binding affinities. In addition, the activity and kinetic parameters of the SOD-ligand were investigated through an improved pyrogallol autoxidation method. Gomisin J and xanthotoxin showed a stronger ability to increase SOD activities. The present study indicated that combining UF-HPLC-Q-TOF-MS and in silico molecular docking offers a powerful and meaningful tool to rapidly screen SOD activators from traditional Chinese medicines.
研究领域:
药理学
·
分析化学
·
生物信息学
·
中医药
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2023
·
IF 5.9
Mengwen Lv,Yong Yang,Patrick Choisy,Tao Xu,Karl Pays,Ling Zhang,Jin Zhu,Qianyu Wang,Shanshan Li,Liangsheng Wang
Genus Paeonia is an important ornamental and medicinal crop . The flowers of Paeonia are rich in flavonoids , and flavonoids have excellent antioxidant and anti-inflammatory activities, which have the potential to slow down skin aging. In this study, flavonoids from whole flowers of six popular Paeonia cultivars were extracted using three different solvents. The composition and content of peony flowers flavonoids extracted with three solvents were determined by high performance liquid chromatography quadrupole time-of-flight mass spectrometry / mass spectrometry (HPLC-Q-TOF-MS/MS) and HPLC-diode array detection (DAD). A total of 26 flavonoids were isolated and identified, and 60 % ethanol showed the highest extraction efficiency. Not only flavonoids composition but also the content was significantly different in different peony flowers, among which ‘Hei Tian E’ had the most abundant composition (17 flavonoids) and the highest total content of flavonoids (57.75 mg/g DW by using 60 % ethanol). After that, the anti-skin photoaging effects of the 60 % ethanol extracts of the six Paeonia cultivars flowers were evaluated by UVR-Fulkutis and UVA-Fibroblasts photoaging models. Under exposure to UV radiation, some Paeonia flowers’ extracts can prevent the decrease of skin surface thickness and reduce the loss of Collagen IV and VII. In addition, the production and accumulation of ROS, MMP-1 and MMP-3 in fibroblasts were inhibited, indicating the attenuation of skin photoaging by the extracts. Among the six samples tested, ‘Hei Tian E’ whole flower extract (BH-HT) had the best comprehensive effect. Finally, the correlations between components and anti-photoaging efficacy were analyzed. We speculate that the anti-photoaging effect was significantly related to its richness in quercetin 3- O -di-glucoside, quercetin 3- O -glucoside, isorhamnetin 3- O -galloyl arabinoside, cyanidin 3,5-di- O -glucoside, cyanidin 3- O -glucoside, and peonidin 3- O -glucoside. In general, the results show that Paeonia flowers have potential for development of anti-photoaging herbal essence products.
研究领域:
药理学
·
植物学
·
化妆品科学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2016
·Vol. 6
·期 111
·109730-109741
·
IF 3.289
Yi Tao,Dandan Su,Yingshan Du,Weidong Li,Baochang Cai,Liuqing Di,Liyun Shi,Lihong Hu
Tyrosinase is the rate-limiting enzyme for controlling the production of melanin. A very precise, sensitive and convenient solid-phase extraction based approach was developed for extract and analysis of tyrosinase binders from San-Bai decoction. Tyrosinase binders were captured by using tyrosinase conjugated magnetic beads. The retained tyrosinase binders were dissociated and analyzed by high performance liquid chromatography and quadrupole-time-of-flight mass spectrometry. The powder X-ray diffraction (XRD), transmission electron microscopy (TEM), vibration sample magnetometer (VSM) and Fourier transform infrared (FT-IR) spectroscopy techniques were used for the characterization of tyrosinase conjugated magnetic beads. A variety of experimental conditions such as incubation temperature, buffer pH and ion strength, which may affect extraction yield, were optimized through Box–Behnken statistical design and response surface methodology by using paeoniflorin as a model compound. The optimal incubation conditions were as follows: wash times: 4, wash solvent: 10% acetonitrile–water, incubation time: 30 min, temperature: 34.84 °C, ion strength: 193.67 mM, pH: 6.98. The established approach was successfully applied for the extraction of tyrosinase binders from San-Bai decoction. The tyrosinase inhibitory assay was employed for validation of the activities of these identified binders. Fifteen tyrosinase inhibitors were identified, and nine of which, including benzoylpaeoniflorin, benzoyloxypaeoniflorin, galloylpaeoniflorin, paeonolide, oxypaeoniflora, albiflorin, ononin, mudanpioside C and apiopaeonoside, were reported for the first time.
研究领域:
分析化学
·
药理学
·
中药学
·
生物化学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）