WATER RESEARCH
·
2019
·
IF 7.913
Shu Wang,Shuhui Sun,Chao Shan,Bingcai Pan
Phosphonate is an important phosphorous species in the effluent of wastewater treatment plant (WWTP), contributing to eutrophication and interfering with phosphate removal in WWTP. It is particularly difficult to determine phosphonates in samples of complex solution chemistry, resulting in very limited information on their presence in environmental matrices. Herein, we proposed a sensitive method based on liquid chromatography tandem mass spectrometry (LC-MS/MS) to determine six quantitatively most important phosphonates even at the ng/L level, i.e., 2-phosphonobutane-1,2,4-tricarboxylic acid, 1-hydroxyethane 1,1-diphosphonic acid, nitrilotris(methylene phosphonic acid), ethylenediamine tetra(methylene phosphonic acid), hexamethylenediamine tetra(methylene phosphonic acid) and diethylenetriamine penta(methylene phosphonic acid). Trimethylsilyldiazomethane (TMSCHN 2 ) derivatization of the target phosphonates is pre-requisite since it could greatly increase the sensitivity up to 2-3 orders of magnitude over direct analysis of the virgin ones. The sample pretreatment methods (including ion exchange and solid phase extraction(SPE)), the derivatization procedures, and the LC-MS/MS conditions were systematically optimized. The limits of quantitation for the six phosphonates in the background of tap water ranged from 1.4 μg/L to 57 μg/L for direct analysis, and from 5.0 ng/L to 200 ng/L for SPE enabled pre-concentration analysis, respectively. The reliability of the proposed method was successfully validated by analysis of authentic water samples collected from one river and three WWTPs (0.088–7200 μg/L phosphonates) with satisfactory recoveries (72–126%). To the best of knowledge, this is the first report on quantification of phosphonates in environmental samples in China.
研究领域:
环境科学
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分析化学
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACY AND PHARMACOLOGY
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2025
·
IF 3.2
Zhou Dan,He Kai,Cai Wei,Li Bin,Zhang Zaiqi
ObjectiveTo identify the anti-inflammatory ingredients of a typical Dong herbal medicine Jiao Mei Gu (JMG) (Cayratia albifolia C.L.Li) and reveal the underlying mechanisms.MethodsFor the first time, the chemical constituents in JMG ethyl acetate extract, which showed the highest anti-inflammatory activity, were analyzed by Ultra-performance liquid chromatography-quadrupole-electrostatic field Orbitrap mass spectrometry (UHPLC-Q-Exactive orbitrap MS). The anti-inflammatory activities and the underlying mechanisms of JMG extracts were evaluated in the lipopolysaccharide (LPS)-induced RAW 264.7 cell model and LPS (10 mg/kg) induced acute lung injury model in BALB/c mice.Key findingsOverall, 65 compounds including lignans, apigenin, quercetin, chrysin, phlorizin, and eriodictyol, etc., were identified in JMG ethyl acetate extract. At 200 mg/kg, JMG ethyl acetate extract reversed the structure change of lung alveoli and inflammatory cell infiltration in LPS-induced acute lung injury model. Compared with the LPS group, the serum levels of IL-1β, IL-6, and TNF-α in the 200 mg/kg JMG-treated group were decreased by 58.6%, 56.5%, and 87.6%, respectively. Western blot results revealed that JMG ethyl acetate extract inhibited LPS stimulated p65 and IκBα phosphorylation in mouse lung.ConclusionThe present study demonstrated that the ethyl acetate fraction of JMG could reverse LPS-induced acute lung hemorrhagic necrosis and inflammatory cell infiltration in mice by preventing the phosphorylation of NF-κB p65 and reducing its nuclear translocation.
研究领域:
生药学
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民族药理学
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分析化学
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炎症研究
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肺部医学
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质谱分析
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PubMed
高影响因子
XENOBIOTICA
·
2025
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IF 1.2
Lianghong Liu,Kailin Li,Mingjuan Liu,Lian Zhu,Zichao Shang,Wei Cai
Duhaldea nervosa (Wallich ex Candolle) A. Anderberg (Asteraceae) (D. nervosa), has been used as a folk medicine for the treatment of diseases including bone fractures and bone wounds. However, the metabolic profiling of D. nervosa and mechanism of action for treating fracture are unknown.In this study, an integrated analysis method based on UHPLC-Q-Exactive Orbitrap MS and network pharmacology was established to research the metabolic characteristic of D. nervosa. Serum in the blank group and drug group were collected after intragastric administration of D. nervosa. The serum samples were analysed using UHPLC-MS. In addition, network pharmacology and cell proliferation assays were used to analysis the mechanism of fracture healing of D. nervosa.A total of 62 constituents, including 24 prototype compounds and 38 metabolites were identified in rat serum. The result of network pharmacology revealed that the fracture healing effect of 23 metabolites was probably acting through 65 genes targets. Serum samples promoted osteoblast proliferation in a concentration-dependent manner in mouse osteoblast cell line (MC3T3-E1 cells).To our best knowledge, it is the first time to report the constituents in vivo of D. nervosa. This work provided a general method for understanding the bioactive compounds of D. nervosa.
研究领域:
生药学
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分析化学
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药理学
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民族药理学
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细胞生物学
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DOI
PubMed
高影响因子
Current Analytical Chemistry
·
2021
·Vol. 17
·期 4
·521-527
·
IF 1.892
Liu Liang-Hong,Peng Jie,Shi Si-lin,Li Kai-Lin,Xiong Pei,Cai Wei
Background: Lithocarpus litseifolius (Hance) Chun (L. litseifolius) has been used for treating diabetes, allergic and inflammatory diseases, and hyperlipidemia in folk medicine. Previous studies have shown that the main active ingredients of its leaves are flavonoids. However, to the
best of our knowledge, the stem of L. litseifolius has not been investigated for its constituents yet. The stems of the decaying plants fall every year. It is considered as a waste due to limited knowledge of the benefits of these stems, which is a sheer waste of the plant resource. Therefore,
it is necessary to investigate the chemical constituents of the stem, which will be beneficial for the treatment of many diseases and help utilize the stem in a better way instead of wasting the plant resource. Methods: In this study, the dry twigs of L. litseifolius were collected, powdered,
and extracted. Then, the extracted sample was subjected to UHPLC-Q-Exactive Orbitrap MS in negative mode combined with Parallel reaction monitoring scanning to gain the high-resolution mass spectrum, which was processed by the Compound Discover version 3.0 using high resolution extracted ion
chromatography to predict the constituent compounds. Results: A total of 35 flavonoids including flavone, flavonol, dihydroflavone, isoflavone, and dihydrochalcone were putatively identified based on their accurate mass measurement, chromatographic retention, MSn spectra, and bibliography
data. Conclusion: In this study, a total of 35 flavonoids were identified in the stem of L. litseifolius, among which 5 flavonoids were the first to be reported from this plant, which will be very helpful for the development of medicines for the treatment of many diseases and utilization
of the stem of L. litseifolius.
研究领域:
植物化学
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药学
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天然产物研究
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DOI
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2025
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IF 5.4
Qinfeng Lu,Zhu Chen,Bai-Xiang Mu,Bo-Han Wang,Fanchao Feng,Jun Zhao,Hailang He,Yu Wei
Ethnopharmacological relevance COPD, marked by coughing, sputum production, and wheezing, is categorized as "Lung Distension" in Traditional Chinese Medicine (TCM). The combined use of Suzi Jiangqi Decoction and Sanzi Yangqin Decoction, known as Jia Wei Su Zi Jiang Qi Formula (JWSZJQF), is a common treatment for Lung Distension with phlegm accumulation in the lungs. It is particularly effective for symptoms like excessive phlegm and chest tightness. However, the specific active components of JWSZJQF and their molecular mechanisms in addressing mucus hypersecretion in COPD remain unclear, requiring further investigation and validation. Aim of the study This study aims to identify the potential targets and signaling pathways of JWSZJQF in treating COPD-associated mucus hypersecretion using UHPLC-Q-Orbitrap MS/MS, network pharmacology, and in vitro experimental verification. Materials and methods All plant names were verified through WorldFloraOnline ( www.worldFloraonline.org ) and MPNs ( http://mpns.kew.org ). First, the effective components of JWSZJQF were identified and analyzed using UHPLC-Q-Orbitrap MS/MS, supplemented by data from TCMSP. Network pharmacology analysis was used to determine the potential targets and pathways of JWSZJQF in COPD treatment. A mucus hypersecretion cell model was created using IL-17 cytokine, and the effectiveness of JWSZJQF in reducing mucus hypersecretion was assessed through immunofluorescence assay, Western blotting, and quantitative real-time polymerase chain reaction (qPCR). Lastly, a prospective study was conducted to collect data from 30 inpatients with AECOPD between September 2023 and July 2024. Serum samples before and after treatment were analyzed to validate the findings. Results A total of 864 active components were identified, with 79 potential COPD therapeutic targets confirmed based on the top 30 active components, including TNF, IL-6, and AKT1. The involved KEGG pathways included the IL-17 and NF-κB signaling pathways. In vitro experiments showed that JWSZJQF inhibited mucin (MUC5AC) secretion at both mRNA and protein levels. Additionally, JWSZJQF modulated i-κBα and p65 expression in the NF-κB pathway. Compared to the control group, patients treated with JWSZJQF exhibited lower levels of IL-17 and MUC5AC in their serum. Conclusion This study preliminarily explored the mechanisms of JWSZJQF in treating COPD-associated mucus hypersecretion through UHPLC-Q-Orbitrap MS/MS, network pharmacology, in vitro experiments, and clinical observation. The main active components and potential targets were identified, laying a scientific foundation for further research.
研究领域:
药理学
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民族药理学
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呼吸病学
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分子生物学
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网络药理学
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临床研究
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DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2024
·
IF 3.8
Huaixin Liu,Jincai Wang,Sirui Yang,Ziwei Li,Min Song,Xiaoqi Zhang,Jacques Crommen,Zhengjin Jiang,Tingting Zhang
In this study, a novel magnetic bead-based ligand fishing method was developed for rapid discovery of monoterpene indoles as monoamine oxidase A inhibitors from natural products. In order to improve the screening efficiency, two different magnetic beads, i.e. amine and carboxyl terminated magnetic beads, were comprehensively compared in terms of their ability to immobilize monoamine oxidase A (MAOA), biocatalytic activity and specific adsorption rates for affinity ligands. Carboxyl terminated magnetic beads performed better for MAOA immobilization and demonstrated superior performance in ligand fishing. The MAOA immobilized magnetic beads were applied to screen novel monoamine oxidase inhibitors in an alkaloid-rich plant, Hunteria zeylanica . Twelve MAOA affinity ligands were screened out, and ten of them were identified as monoterpene indole alkaloids by HPLC-Obitrap-MS/MS. Among them, six ligands, namely geissoschizol, vobasinol, yohimbol, dihydrocorynanthenol, eburnamine and (+)-isoeburnamine which exhibited inhibitory activity against MAOA with low IC 50 values. To further explore their inhibitory mechanism, enzyme kinetic analysis and molecular docking studies were conducted.
研究领域:
药理学
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分析化学
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天然产物研究
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生物化学
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产品关联
DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
·
2026
·Vol. 2026
·期 1
·5782099
·
IF 2.2
Jia-Yi Wang,Yu-Feng Zou,Kai-Lin Li,Yi-Fan Chen,Ling Liu,Shu-Sen Wu,Hui Li
Cirsium japonicum , a traditional medicinal plant, has been widely used for its therapeutic properties in treating various ailments. However, a comprehensive analysis of its chemical composition remains limited, hindering a full understanding of its chemical basis and pharmacological activities. This study aims to identify and characterize the chemical constituents of C. japonicum using ultra-high-performance liquid chromatography coupled with quadrupole-Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap MS) and parallel reaction monitoring (PRM). A total of 94 compounds were identified, including 57 organic acids, 25 flavonoids, 3 phenylpropanoids, and 9 other components, with chlorogenic acid dominating the organic acid fraction. Organic acids and caffeic acid, among organic acid compounds, exhibit hemostatic effects based on prior evidence. The UHPLC-Q-Exactive Orbitrap MS-based approach provided a detailed chemical profile of C. japonicum , which could facilitate a deeper understanding of its medicinal properties and guide future pharmacological studies. The identified compounds can be used as potential biomarkers for the standardization and quality control of medicinal products of C. japonicum .
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PubMed
高影响因子
MOLECULAR DIVERSITY
·
2026
·
IF 4.3
Deng Yasi,Liang Ling,Lin Haokai,Shen Xinyang,Zheng Hao,Deng Ying,Tian Xing,Huang Juan,Zhang Ye,Li Bin,Yu Huanghe,Wang Wei
Eucommiae Folium (EF) is a dual-purpose substance utilized in both medicine and nutrition, commonly incorporated into porridge and tea. Traditionally, it is recognized for its ability to tonify the kidney and liver, strengthen muscles and bones, lower blood pressure, and exhibit anti-aging effects. This study aims to investigate the primary components and mechanisms underlying the anti-rheumatoid arthritis (RA) properties of aqueous extract of EF. To identify the material basis of aqueous extract of EF, we employed liquid chromatography-mass spectrometry (LC-Orbitrap-MS) for component analysis using database software. Subsequently, a network approach was applied to pinpoint key anti-RA targets and pathways in order to validate its potential as an effective anti-RA agent. An adjuvant-induced arthritis (AIA) rat model was established, with oral administration of aqueous extract of EF over 30 consecutive days to evaluate its therapeutic effects. The results indicated that LC-Orbitrap-MS identified 29 principal compounds, including geniposidic acid, asperuloside, chlorogenic acid, kaempferol, aucubin, and trifolin. Pharmacological network analysis suggested that these components may exert their therapeutic effects on RA through modulation of NF-κB and PI3K-AKT signaling pathways. Furthermore, oral administration significantly reduced paw swelling in AIA rats while histological analysis demonstrated suppression of inflammatory responses in paw tissues by inhibiting NF-κB and PI3K-AKT pathways.
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PubMed
高影响因子
FOOD CHEMISTRY
·
2020
·
IF 6.306
Wei Jia,Yunlong Li,An Du,Zibian Fan,Rong Zhang,Lin Shi,Cangxue Luo,Keyi Feng,James Chang,Xiaogang Chu
Classification of Feng-flavor Baijiu considering aging category was furnished with a comprehensive fingerprinting strategy which used UPLC-Orbitrap and foodomics, and the most discriminant 29 compounds related to aging, 15 organic acids, 8 esters as well as some carbonyl compounds were discovered. Increase of aromatic organic acids, decline of carcinogenic dibutyl phthalate and generation of numerous aromatic substances in Baijiu were caused by irradiation until the system reached a relatively stable state which needed 28 days. It is similarity of physical and chemical reaction process of natural aging and irradiation maturation that both can facilitate flavor of base Baijiu, while the aging time can be plainly shorten utilizing irradiation for Baijiu, whose outcome has been demonstrated by LC-MS and sensory evaluation. The combination of UPLC-Orbitrap and foodomics was applied as a valid tactic to analyze a complex system and gamma irradiation can be a powerful tool to promote Baijiu aging.
研究领域:
食品科学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
·
2022
·Vol. 2022
·期 1
·2565494
·
IF 2.594
Qiulong Zhao,Chunxue Wang,Jiaxin Cheng,Hui Yan,Ling Wang,Dawei Qian,Jinao Duan
According to the sixth edition of China’s “New Coronavirus Diagnosis and Treatment Plan (NCDTP),” ReDuNing injection (RDN) was firstly introduced to treat severe and critical COVID-19, whereas its combination with broad-spectrum antibiotics was suggested to take with extreme caution and full reasons. Therefore, we aim to describe the pharmacokinetics of seven active phytochemicals and semiquantification of nine relevant metabolites in ReDuNing injection (RDN) after combining with cefuroxime sodium (CNa) for injection in rat plasma. Male Sprague–Dawley rats were randomly assigned to six groups, and they were intravenously administered, respectively, with different prescriptions of RDN (2 mL/kg) and CNa (225 mg/kg). At different time points (0.03, 0.08, 0.17, 0.24, 0.33, 0.50, 0.67, 1, and 6 h) after administration, the drug concentrations of iridoids glycosides, organic acids, and metabolites in rat plasma were determined using ultrahigh-pressure liquid chromatography coupled with linear ion rap-orbitrap tandem mass spectrometry (UHPLC–LTQ–Orbitrap–MS), and main pharmacokinetic parameters were estimated by noncompartment model. The results showed that there were differences in pharmacokinetic parameters, AUC (0-t) , T 1/2 , C max , CL of iridoids glycosides, and organic acids, after the intravenous administration of the different combinations of RDN and CNa. Moreover, different combinations of the injections also resulted in different curves of relative changes of each metabolite. The obtained results suggested that RDN and CNa existed pharmacokinetic drug–herb interactions in rats. The findings not only lay the foundation for evaluating the safety of RDN injection combined with CNa but also make contributions to clinically applying RDN injection combined with CNa, which works potentially against severe forms of COVID-19.
研究领域:
药理学
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药物代谢
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中药学
·
临床药学
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分析化学
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病毒学
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转化医学
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DOI
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2025
·
IF 6.6
Xichuang Guo,Keyun Cheng,Chenxin Wang,Jing Zheng,Yeshun Wu,Siwei Wang,Xixi Zeng,Zhujun Mao,Jinyan Gong,Gongshuai Song,Xi Chen,Qing Shen
Fritillaria Bulbus (FB) is a medicinal food homologous substance containing various alkaloids. However, the authenticity and quality control of FB have been regarded as the important and challenging factors in globalization and modernization. In this study, the spatial distributions of alkaloids from four FBs ( Fritillaria thunbergii Miq, FritiLlaria cirrhosa D. Don, Fritillaria ussuriensis Maxim, Fritillaria unibracteata var. wabuensis) were analyzed by a consolidation of UPLC-Q-Extractive Orbitrap MS/MS and direct desorption electrospray mass spectrometry imaging (DESI-MSI). Results showed that 58 reliable metabolites (mainly alkaloids) were identified preliminarily, and taxonomic models were built by chemometric analysis. The alkaloid contents in the bulb base were significantly higher than those in bulb and bulblet ( p < 0.05). Seven metabolites, hexadecanamide, imperialine, L-phenylalanine, jervine, peimine, L-pyroglutamic acid, and trans-3-indolacrylic acid, were screened and confirmed as key characteristic compounds of FB. The detailed spatial information provides a reliable means for rational evaluation of the quality control of FBs. It can better utilize the enriched portion of the alkaloids in FBs. It can provide reference value for the identification of adulteration and development of the medicinal food homologous substance.
研究领域:
药学
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分析化学
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产品关联
DOI
高影响因子
Arabian Journal of Chemistry
·
2021
·
IF 5.165
Ruimin Wang,Ruiping He,Zhaohui Li,Xue Lin,Lu Wang
Rosa roxburghii Tratt. leaves (RRLs) have been exploited as a alternative tea product in China owing to its various biological properties. A comparative study was performed for the first time on high-performance liquid chromatography quadrupole orbitrap tandem mass spectrometry (HPLC-Q-Orbitrap-MS/MS) phenolic profiles, antioxidant, α -glucosidase inhibitory ( α -GIA) and anti-bacterial activities of the RRLs extracts extracted by traditional and eco-friendly solvents. The RRLs extracts extracted with four screened deep eutectic solvents (DES) showed higher total phenolic content (TPC, 167.48–190.14 mg GAE/g DW) and moderate total flavonoid content (TFC, 3.78–4.11 mg RE/g DW), while the RRLs extracts extracted with choline chloride-1,2-propanediol, choline chloride-levulinic acid, and 50% methanol/ethanol extracts had the highest TFC. Ethyl acetate extracts had the lowest TPC and TFC. Additionally, the phenolic constituents of the RRLs extracts were identified and quantified via HPLC-Q-Orbitrap-MS/MS and HPLC-DAD methods. A total of 30 phenolic compounds were identified in RRLs extracts. Among them, arbutin, gallic acid, (+)-catechin, 3-hydroxybenzoic acid, quercetin-3- O -galactoside and myricetin were the representative ones. The selected DES (especially for choline chloride-lactic acid and choline chloride-levulinic acid) extracts exhibited higher 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid (ABTS +• ) and 2,2-diphenyl-1-picrylhydrazyl (DPPH • ) scavenging activities, cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP) except for reducing power, α -GIA and anti-bacterial activity as compared with the extracts extracted with other solvents. Multivariate analysis results revealed that the extraction solvents significantly affected the phenolic constituents and biological activities of the RRLs extracts. The present study presented eco-friendly solvents for high-efficient extraction of the phenolic metabolites from RRLs. RRLs as a potential source enriched in phenolic constituents can be applied in the health, cosmetic and pharmaceutical industries.
研究领域:
植物化学
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食品科学
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药理学
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DOI
高影响因子
危险品化学品经营许可证（带存储）