ULTRASONICS SONOCHEMISTRY
·
2025
·
IF 9.7
Ziyu Lv,Jing Ma,Chi Wei,Jiaqi Wang,Dan Wang,Xinxin Cheng,Guoliang Chen,Luis A.J. Mur,Yanfeng Wang,Duo Cao
Bitter orange flowers (BOF), a renowned medicinal and edible botanical resource, are rich in phenolic compounds with significant potential for health and industrial applications. However, efficient extraction and purification techniques for recovering bioactive phenolics remain underexplored. To address this gap, this study aimed to develop an eco-friendly integrated strategy combining natural deep eutectic solvent-ultrasound synergistic extraction (NADES-USE) with adsorptive purification for efficient recovery of total phenolics from BOF (BOF-TP). First, choline chloride-ethylene glycol (ChCl-EG) was determined to be the optimal extraction solvent from 12 synthesized NADESs and 3 common solvents. Employing Box-Behnken design (BBD), the optimized parameters for NADES-USE (38 % aqueous ChCl-EG, 18 mL/g, 345 W, 43 min, and 55 °C) resulted in a BOF-TP yield of 104.58 ± 0.34 mg/g, which was 1.30 to 2.16 times higher than those achieved with conventional solvents. Then, AB-8 resin demonstrated optimal adsorption–desorption performance for BOF-TP, with adsorption behavior strongly conforming to Langmuir isotherm and pseudo-second-order kinetic models. Thermodynamic analysis confirmed a spontaneous, exothermic physisorption process with decreasing entropy. The breakthrough curves and gradient elution curves were utilized to establish a chromatographic purification process for crude BOF-TP extracts, achieving a purity of 75.62 ± 0.95 %. Finally, a validated UPLC-Q/TOF-MS/MS method facilitated comprehensive chemical characterization and simultaneous quantification of seven bioactive compounds, serving as a basis for the quality control of purified BOF-TP extracts. In conclusion, this work demonstrates that the combination of NADES-USE and adsorptive purification offers significant potential for producing highly purified BOF-TP extract for further use in food and pharmaceutical applications.
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PubMed
高影响因子
MOLECULES
·
2026
·Vol. 31
·期 6
·994
·
IF 5.1
Kexin Ma,Lijun An,Guo Feng,Wei Li,Tingting Liu,Jinxin Hou,Ping Wang,Yibao Jin,Bing Wang,Xie-An Yu
Background: Huafeng Dan (HFD) is a traditional famous medicine from Guizhou Province, commonly used for the treatment of stroke-induced hemiplegia and epilepsy. Yaomu is a key component and serves as the sovereign herb in the formula. Most of the components of Yaomu are toxic Chinese herbal medicines. Traditional fermentation processing methods are required to reduce its toxicity. Purpose: Current studies have not yet systematically analyzed the chemical constituents before and after fermentation. Meanwhile, there is a lack of safety evaluation before and after the fermentation of Yaomu, which can provide a basis for safe clinical medication. Method: Chemical constituents of Yaomu before and after processing were analyzed using UHPLC-Q/TOF-MS to compare compositional changes induced by fermentation. To further screen potential toxic components, representative compounds were selected from these differential compounds based on statistical indicators (such as VIP value), low cost and easy availability, as well as criteria from the literature, and the content changes before and after fermentation were investigated. In vitro toxicity was evaluated using a microfluidic liver organ-on-a-chip model to assess the toxic effects of Yaomu extracts before and after fermentation. Results: Studies have shown that in both positive and negative ionization modes, a total of 361 compounds were annotated in unfermented Yaomu. After fermentation, a total of 350 compounds were annotated. Multivariate statistical analysis revealed significant differences in the chemical composition of Yaomu before and after fermentation. Quantitative analysis demonstrated that the levels of diester-type diterpenoid alkaloids were significantly reduced after fermentation, accompanied by concurrent decreases in lysophosphatidylcholine (LPC) species, compared with unfermented Yaomu. In contrast, the concentrations of amino alcohol-type diterpenoid alkaloids were significantly increased. The microfluidic liver organ-on-a-chip results demonstrated that the post-fermentation extract caused significantly attenuated impairment of hepatocellular function and viability. The in vitro toxicity findings showed good concordance.
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高影响因子
Evidence-based Complementary and Alternative Medicine
·
2019
·
IF 1.984
Xin Li,Mingqin Kang,Ningning Ma,Tan Pang,Yanjun Zhang,Hua Jin,Zhen Yang,Lili Song
Lycopodium clavatum is a dry whole grass of Lycopodium japonicum Thunb.; it has been extensively used to anti-inflammatory, antioxidant, and antimicrobial actions and inhibits acetylcholinesterase activity. However, it lacks further compounds research of Lycopodium clavatum in vivo and in vitro. In this work, a rapid method was established using the ultra high performance liquid chromatography with quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS) combined with multiple data-processing approaches for compounds analysis of Lycopodium clavatum in vitro and in vivo. Finally, 30 peaks were characterized in 75% ethanol extract of Lycopodium clavatum and 17 peaks were characterized in rat plasma that including 12 prototype compounds and 5 metabolites. Methylation and demethylation are the main transformation reactions of Lycopodium clavatum in rat serum. This work could be helpful for understanding the complex compounds of Lycopodium clavatum and further analyzing the pharmacological studies of active compounds.
研究领域:
药理学
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分析化学
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植物化学
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高影响因子
Food & Function
·
2019
·Vol. 10
·期 9
·5656-5668
·
IF 3.241
Mengying Wei,Zhongying Liu,Yuanyuan Liu,Shizhe Li,Mingxin Hu,Kexin Yue,Tianshu Liu,Yang He,Zifeng Pi,Zhiqiang Liu,Fengrui Song
Schisandra chinensis (Turcz.) Baill (S. chinensis), a functional food, is used as a tonic and sedative agent in traditional Chinese medicine. Modern pharmacological research has proved that S. chinensis could prevent and treat age-related neurodegenerative diseases. The presence of bioactive lignans in S. chinensis is the main reason for its neuroprotective and cognitive enhancement effects. This study aimed to clarify the mechanism of lignans in S. chinensis in ameliorating learning and memory deficits in Alzheimer's disease (AD) animals. The step-down test and Morris water maze (MWM) test were used to verify the effects of lignans in S. chinensis on learning and memory in AD animals. Then, metabolomics approaches based on ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) were used to clarify the mechanism of lignans in S. chinensis in treating AD. Finally, quantitative analysis of AD-related neurotransmitters in the brain was conducted after treatment with lignans in S. chinensis. In the MWM and step-down tests, lignans in S. chinensis showed a clear ability to ameliorate the impaired learning and memory of AD animals. A total of 31 endogenous metabolites were identified after treatment with lignans in S. chinensis, which were associated with lignans ameliorating learning and memory. These biomarkers were mainly associated with polyunsaturated fatty acid metabolism and amino acid and vitamin metabolism. Moreover, lignans in S. chinensis upregulated the levels of γ-aminobutyric acid (GABA), 5-hydroxytryptamine (5-HT), acetylcholine (Ach), norepinephrine (NE) and glycine (Gly) and downregulate the level of aspartic acid (Asp). Lignans in S. chinensis might alleviate the neurotoxic effects of neurological inflammation and oxidative stress, Aβ deposition, and tau phosphorylation via the regulation of multiple endogenous metabolic pathways during pathological AD. The research might provide useful support for the further study of pharmacology and new drug development of lignans in S. chinensis.
研究领域:
药理学
·
神经科学
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高影响因子
JOURNAL OF PHARMACOLOGICAL SCIENCES
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2015
·
IF 2.36
Fang Li,Yi-Sha Tan,Hong-Lin Chen,Yan Yan,Ke-Feng Zhai,Da-Peng Li,Jun-Ping Kou,Bo-Yang Yu
YiQiFuMai Powder Injection (YQFM) is a re-developed preparation based on the well-known traditional Chinese medicine formula Sheng-mai-san. It has been widely used for the treatment of cardiovascular disease with definite clinical efficacy in China, but its bioactive molecules remain obscure. In this study, an effective method has been employed as a tool for screening active components in YQFM, using human umbilical vein endothelial cells (HUVECs) extraction and liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). Nine compounds, which could interact with HUVECs, were identified as ginsenosides Rb1, Rc, Rb2, Rd, 20(S)-Rg3, 20(R)-Rg3, Rk1/Rg5 and schisandrin by comparing with reference substances or literature. In vitro assays showed that schisandrin at concentrations of 10–100 μM protected HUVECs from hypoxia/reoxygenation (H/R) injury, increased cell viability, nitric oxide (NO) content and decreased lactate dehydrogenase (LDH) leakage, malonaldehyde (MDA) content and ROS generation. Moreover, schisandrin pretreatment inhibited cell apoptosis, as evidenced by inhibiting activation of caspase-3 and increasing the Bcl-2/Bax ratio. These data indicate that HUVECs biospecific extraction coupled with HPLC-ESI-Q-TOF-MS/MS analysis is a reliable method for screening potential bioactive components from traditional Chinese medicines. Meanwhile, the vascular endothelium protective property of schisandrin might be beneficial for the treatment of cardiovascular disease.
研究领域:
药理学
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心血管科学
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中药学
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PubMed
高影响因子
PHYTOCHEMICAL ANALYSIS
·
2023
·Vol. 34
·期 3
·347-362
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IF 3.3
Jinxia Wei,Yuanyuan Wang,Yue Zhang,Yanxue Zheng,Jia Shao,Wenbo Cheng,Yubo Li
Introduction Menispermi Rhizoma (MR), the dried rhizome of Menispermum dauricum DC. (Menispermaceae), has been used to treat sore throat, enteritis, dysentery, and rheumatic arthralgia. Despite extensive research on its pharmacological effects, the chemical components in vitro and in vivo have not been thoroughly studied. Objective To establish an efficient method for rapid classification and identification of alkaloids in MR and its preparations, as well as metabolites in vivo after oral administration of MR. Methods Rapid identification of alkaloids and absorbed components of MR was performed using ultra-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) coupled with UNIFI software. Moreover, the characteristic fragmentations and neutral losses of different types of alkaloids in MR were summarised to realise the rapid classification of alkaloids. Results A total of 55 components were unambiguously or tentatively identified in MR. Among them, 37 and 31 components were found in MR capsules and tablets, respectively. Meanwhile, 109 compounds were tentatively identified in rat plasma, urine and faeces, including 55 prototypes and 54 metabolites. Hydrogenation, hydroxylation, methylation, glucuronic acid and sulphate conjugations were the dominating metabolic fates of alkaloids. Conclusion The data post-processing strategy established could greatly enhance the structural identification efficiency. The results obtained might lay the foundation for further interpretation of clinical effects, mechanism of action and quality control of MR.
研究领域:
药理学
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分析化学
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植物化学
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代谢组学
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高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2023
·
IF 5.4
Benyu Liu,Shiming Fang,Kun Zhou,Lulu Ma,Yaling Shi,Yuefei Wang,Xiumei Gao
Ethnopharmacological relevance Fructus Psoraleae (FP), the dried and ripe fruit of Cullen corylifolium (L.) Medik., is widely used due to its various clinical pharmacological effects, but its hepatotoxicity restricts its clinical application. So far, its hepatotoxic components and their underlying mechanism have not been systematically elucidated. Aim of the study This study was undertaken to reveal the hepatotoxicity distinction of coumarin-related compounds from glycosides to aglycones in FP and elucidate their potential mechanism. Methods Rats were administrated with the aqueous extract of Fructus Psoraleae (AEFP), in which eight coumarin-related compounds were focused. Subsequently, compounds exposed in rats' livers were detected by UPLC-Q-TOF-MS, and the identified hepatotoxic compounds were evaluated to elaborate their possible mechanism by the aid of high content analysis (HCA). Results Eight coumarin-related compounds were identified, among which psoralenoside (PO), isopsoralenoside (IPO), psoralen (P), and isopsoralen (IP) were the principally exposed compounds in rats' livers. Furocoumarinic acid glucoside (FAG), ( E )-3-(4-(((2 S , 3 R , 4 S , 5 S , 6 R )-3,4,5-trihydroxy-6-(hydroxymethyl) tetrahydro-2 H -pyran-2-yl) oxy) benzofuran-5-yl) acrylic acid (isofurocoumarinic acid glucoside, IFAG), furocoumarinic acid (FA), and ( E )-3-(4-hydroxybenzofuran-5-yl) acrylic acid (isofurocoumarinic acid, IFA) were also detected in low abundance. P, IP, FA, and IFA were identified as the hepatotoxic compounds, while their glycosides were almost non-hepatotoxic. The HCA's results showed that hepatotoxic compounds disrupted the balance in reactive oxygen species (ROS), nuclear area, and mitochondrial membrane potential of HepG2 cells, leading to the occurrence of hepatotoxicity. Conclusions P, IP, FA, and IFA were identified as hepatotoxic compounds, from which P and IP were proposed as the important risk components for hepatotoxicity. The conversion from glycosides to aglycones played an essential role in FP-induced hepatotoxicity.
研究领域:
药理学
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毒理学
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分析化学
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民族药理学
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高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2023
·Vol. 37
·期 10
·e5704
·
IF 1.8
Pengyi Chen,Chengguo Pang,Tianen Xu,Peiliang Dong,Hua Han
Waste medicinal plants are widely used in drug production. With the increasing demand for botanical drugs, there is an urgent need to identify new and effective drugs and improve the utilization of medicinal plant resources. Wuteng tablets (WTP) are extracted from the stem of Schisandra chinensis and have a good therapeutic effect on Alzheimer’s disease. In this study, a holistic identification strategy based on UHPLC–Q/TOF–MS was developed for the first time to investigate the metabolites and metabolic pathways involved in the in vitro metabolism and liver microsomal incubation and in the in vivo metabolic system of rats after WTP administration. After the oral administration of WTP, 21 metabolites were identified in the serum and 25 metabolites were identified in the urine, of which six were new metabolites; 33 metabolites were inferred from the microsomal metabolites in vitro . The metabolic pathways related to WTP mainly involve demethylation, hydroxylation, dehydroxylation and dehydrogenation. In this study, the metabolites and metabolic pathways of WTP were elucidated via UHPLC–Q/TOF–MS, which provided a basis for an in-depth study of the pharmacodynamic and pharmacotoxicological effects of WTP.
研究领域:
药理学
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分析化学
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高影响因子
JOURNAL OF HAZARDOUS MATERIALS
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2021
·
IF 10.588
Qu Zhang,Chao Xue,Gary Owens,Zuliang Chen
The widespread presence of 17β-estradiol (E2) in the environment is an emerging problem because it poses a potential threat to human health and aquatic organisms. In this study, a strain of E2 degrading bacteria was isolated from activated sludge . 16s rRNA analysis combined with physiological and biochemical detection confirmed that the bacterium was Ochrobactrum sp. strain FJ1. At an initial E2 concentration of 15 mg L −1 , strain FJ1 degraded 98 ± 1% of E2 after 10 days. Furthermore, when methanol was added as an additional carbon source, the biomass of strain FJ1 increased by 35 ± 1%, and E2 degradation efficiency was slightly inhibited. Compared with E2 alone when glucose, sodium acetate, and methanol were added as additional carbon sources, biomass decreased by 20 ± 1, 13 ± 1 and 35 ± 1%, respectively. Analysis of the degradation products of E2 by LC/Q-TOF-MS confirmed that the major degradation products of E2 were estrone (E1) and 4,16-OH-E1, which was further degraded by strain FJ1 to several other unknown compounds. Based on SEM and FTIR analysis, the morphology of the bacteria became thicker and the thickness of the cell walls decreased under initial E2 stress, and thereafter E2 was transported into the bacteria primarily via several proteins on the cell surface. Considering the ability and efficiency of Ochrobactrum sp. strain FJ1 to degrade high E2 content, the strain could provide a new bioremediation technology for the effective biodegradation of E2. Finally, a potential bioremediation pathway of E2 by Ochrobactrum sp. strain FJ1 was proposed.
研究领域:
环境科学
·
微生物学
·
生物技术
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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
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植物学
·
化妆品科学
·
分析化学
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高影响因子
MICROCHEMICAL JOURNAL
·
2026
·
IF 5.1
Jie-Ping Fan,Ming-Ru Xie,Li-Peng Zhong,Yi-Jun Cao,Ping Gan,Hui-Ping Chen,Hai-Long Peng,Chun-Fang Xie
Developing candidates from medicinal plants for snakebite treatment is quite promising but still remains challenging. The widespread snake venom phospholipase A 2 (svPLA 2 ) is considered as an important therapeutic target for treating snakebite envenomation. In this study, a ligand fishing based platform was established following the immobilization of svPLA 2 onto Fe 3 O 4 magnetic nanoparticles for the first time. After investigating the enzymatic properties and verifying the ligand fishing efficacy, the developed platform was applied to screen svPLA 2 inhibitors from Hedyotis diffusa Willd . and Paris polyphylla . Three compounds (chlorogenic acid, caffeic acid, 2-hydroxycinnamic acid) from Hedyotis diffusa Willd . aqueous extracts and four compounds (rutin, cynaroside, kaempferol, 2-hydroxycinnamic acid) from Paris polyphylla aqueous extracts were screened and identified as potential inhibitors by coupling with UPLC-Q-TOF/MS. Their inhibitory activity was verified through an enzymatic inhibition assay, and their interaction with svPLA 2 enzyme was confirmed by molecular docking. The results demonstrated the developed platform was feasible for the rapid and accurate screening of svPLA 2 inhibitors from medicinal plant extracts. This study provides a strategy for the future development of next-generation antivenom treatments.
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2026
·
IF 4.6
Feiran Xu,Tong Ji,Yu Wang,Guosheng Xu,Xingguang Chen,Zhaoming Wang,Bao Zhang,Jiansheng Zhao,Baocai Xu
γ-Glutamyl dipeptides (γ-GGDPs) have been implicated be generated by enzymatic action on γ‑glutamyl groups, modulate kokumi sensation of fermented foods via activating calcium-sensing receptors (CaSR). However, their variation and potential formation mechanism in Jinhua ham remain unclear. 10 γ-GGDPs (γ-EA, γ-ED, γ-EE, γ-EL, γ-EM, γ-EG, γ-EF, γ-EY, γ-EI, γ-EW) in Jinhua ham were quantified by UHPLC-Q-TOF-MS and accumulating significantly during processing ( P < 0.05), with final contents ranging from 0.78 ± 0.01 μg/g (γ-EW) to 24.75 ± 0.33 μg/g (γ-EA). Sensory evaluation confirmed these γ-GGDPs enhanced the kokumi, saltiness, and umami of Jinhua ham during the post-ripening periods. Mechanistic investigation indicated that γ-glutamyl transpeptidase (GGT) transfer and hydrolytic activities increased progressively to 9.11 ± 0.17 U/mg and 12.19 ± 0.40 U/mg, respectively, which corroborated GGT's role in driving γ-GGDPs formation by catalyzing the transfer of γ-glutamyl groups to free amino acids (FAAs) generated by endogenous enzymes in Jinhua ham. Further validation via a ternary reaction system (comprising FAAs, γ-glutamyl donors, and GGT extracted from Jinhua ham) confirmed this GGT-catalyzed transfer reaction for γ-GGDPs biosynthesis. This study provides a theoretical foundation for the potential formation mechanisms of γ-GGDPs in Jinhua ham and regulation of Kokumi sensation in fermented foods.
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高影响因子
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