Arabian Journal of Chemistry
·
2023
·
IF 6
Kaiquan Yu,Jian Li,Yuqi Chen,Min Zhang,Jiaxin Li,Shani Li,Qing Li,Ling Liu,Lilan Yi,Qingjiao He
Although Abelia macrotera has long been used as the raw material for the special snack “immortal tofu” by Chinese population, the composition and activity of its leaf and stem are rarely studied. Ultrahigh-performance liquid chromatography-quadrupole (UHPLC-Q)-Exactive Orbitrap mass spectrometry and various experiments were used for in vitro study of its chemical composition and antioxidant, antityrosinase, and anti-inflammatory activities . A fast, accurate, and sensitive UHPLC-Q-Exactive Orbitrap mass spectrometry method has been established and effectively used for the determination of the chemical composition of the leaf and stem of A. macrotera . The biological activities of the leaf and stem extracts of the A. macrotera were determined in vitro by antioxidant and anti-inflammatory methods. A total of 142 chemical constituents including 48 flavonoids, 65 organic acids, 12 phenylpropanoids, and 19 others were identified by UHPLC-Q-Exactive Orbitrap mass spectrometry. The results show that the leaf and stem extracts have wide and significant antioxidant capacities, including scavenging effects of DPPH, ABTS and hydroxyl radicals, and the ability to reduce both iron and copper metal ions. Additionally, they showed a strong inhibition of NO production, with a dose-dependent inhibition. To the best of our knowledge, this is the first study to report the identification and content determination of the chemical components of the A. macrotera leaf and stem. These results will be beneficial to further understand its medicinal value.
研究领域:
药用植物学
·
分析化学
·
生物化学
✓ 已验证
产品关联
DOI
高影响因子
Food Science & Nutrition
·
2020
·Vol. 8
·期 11
·5811-5822
·
IF 1.797
Ruiyi Fan,Cheng Peng,Xinxin Zhang,Diyang Qiu,Genlin Mao,Yusheng Lu,Jiwu Zeng
In this study, the non-targeted large-scale plant metabolomics (UPLC-Q-Orbitrap-MS) was performed for the comparison of chemical profiling of the leaves, barks, flowers, peels, pulps, and seeds of Clausena lansium (Lour.) Skeels (called “wampee”). A total of 364 metabolites were identified, and 62 potential biomarkers were selected by the multivariate statistical analysis. Hierarchical cluster analysis suggested that the selected biomarkers were significant differential metabolites among various parts of wampee. Metabolic pathway analysis showed a significant enrichment of the “Flavone and flavonol synthesis” and “Isoquinoline alkaloid biosynthesis” pathway. This study provides important information for the isolation and identification of functional components from different tissues of wampee and the metabolic biosynthesis pathway elucidation in detail.
研究领域:
植物代谢组学
·
植物化学
·
生物信息学
·
代谢通路分析
✓ 已验证
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2023
·
IF 4.8
Xican Li,Jingyuan Zeng,Rongxin Cai,Chunhou Li
Isomers distinction has become a bottleneck of the emerging ultra-high-performance liquid chromatography coupled with hybrid quadrupole-orbitrap tandem mass spectrometry (UHPLC-Q-orbitrap MS/MS) technology. The present study thus used Desmodium styracifolium as model plant to establish a new library-comparison method for isomers distinction. The method firstly established a data library comprising MS/MS characteristic fragment, MS/MS profile, and retention time (R.T.) value. Through subsequent comparisons, 22 phytophenol isomers in D. styracifolium have been simultaneously distinguished under MS spectra negative model. The results suggested that: (1) there were four main types of isomers, i.e., positional isomers, functional group isomers, skeleton isomers, and hybridized isomers. (2) The hybridized isomers (e.g., luteoloside and astragalin) could be easily distinguished, while positional isomers (e.g., schaftoside and isoschaftoside) were difficultly distinguished from each other. (3) The R.T. value comparison played a key role for distinction of highly similar isomers, especially positional isomers. On the basis of above results and computational chemistry, it is concluded that, the new UHPLC-Q-orbitrap MS/MS-based library-comparison method can be capable for isomers distinction and thus has developed the UHPLC-Q-orbitrap MS/MS technology. The development will benefit many fields, including food, herbal medicine, and analysis chemistry. Particularly, the data of 22 phytophenol isomers can be directly cited for their isomersdistinction in future by other researchers.
研究领域:
分析化学
·
天然药物化学
·
食品科学
·
中药学
✓ 已验证
产品关联
DOI
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2020
·Vol. 34
·期 7
·e4838
·
IF 1.728
De-en Han,Yanmei Shi,Ping Tian,Hengchao Wei,Mingsan Miao,Xiu-min Li
A rapid and sensitive method was developed and validated for the quantitative determination of xanthopurpurin (XPP) in rat plasma using ultra-performance liquid chromatography-electrospray ionization-Orbitrap mass spectrometry. XPP inhibits IgE production and prevents peanut-induced anaphylaxis. The XPP and emodin (internal standard) were determined in negative ion mode with m/z 239.0350 → 211.0400 and 269.0455 → 241.0507, respectively. The separation process was achieved using an ACQUITY UPLC HSS T 3 column with acetonitrile and 0.1% formic acid in water (85:15). The linear range was 0.5–100 ng/mL, and the correlation coefficient ( r 2 ) was > 0.993. The inter-day and intra-day precision was within an acceptable range of 15%. The extraction recovery and matrix effect were 78.9–87.2% and 94.3–98.5%, respectively. Under different conditions, the XPP was stable in the range of 5.6–10.6%. This method was successfully applied to study the pharmacokinetics of XPP with an oral dose of 10.0 mg/kg and intravenous dose of 2.0 mg/kg in rats. The absolute oral bioavailability of XPP was 4.6%.
研究领域:
分析化学
·
药理学
·
质谱分析
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Toxins
·
2025
·Vol. 17
·期 9
·445
·
IF 4
Bo Zhang,Yang Liu,Shengnan Li,Ruonan Li,Yunhui Zhang,Hua Zhao
Wild mushroom poisoning is an emerging global food safety issue, especially in subtropical regions like southwestern China, where incidents are geographically clustered. Current detection methods are often time-consuming and overlook region-specific toxins. We developed a rapid, sensitive, and accurate method for the simultaneous detection of ten characteristic mushroom toxins prevalent in Guizhou, China. The method combines graphite multi-walled carbon nanotubes (G-MWCNTs) for sample preparation with Orbitrap high-resolution mass spectrometry (HRMS). Wild mushroom samples were extracted via ultrasonic-assisted methanol–water extraction, purified using G-MWCNTs, and separated on a Hypersil GOLD C18 column (100 mm × 2.1 mm, 1.9 μm). Gradient elution was performed with 0.1% formic acid + 0.01% ammonia and acetonitrile; quantification used the external standard method. The method achieved LODs of 0.005–0.2 mg/kg and LOQs of 0.015–0.6 mg/kg, with RSDs below 18.11% and excellent linearity (R2= 0.9936–0.9989). Among 45 wild mushroom samples, toxin levels ranged from 0.032 to 445.10 mg/kg, with a detection rate of 22.22%, suggesting notable poisoning risk. This method reduces pretreatment time while ensuring high analytical performance, offering a reliable tool for rapid toxin screening and supporting regional surveillance of wild mushroom poisoning.
研究领域:
分析化学
·
食品安全
·
毒理学
·
环境监测
·
质谱分析
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2021
·
IF 4.759
Keyu Feng,Simiao Wang,Lifeng Han,Yuexin Qian,Huifang Li,Xue Li,Li Jia,Ying Hu,Huimin Wang,Meiyu Liu,Wandi Hu,Dean Guo,Wenzhi Yang
Herbs represent complex chemical systems involving various primary and secondary metabolites that are featured by large spans of acid-base property, polarity, molecular mass, and content, etc. , which thus poses great challenges to characterize the metabolites contained. Here, the combination of multiple-mechanism chromatography coupled with improved data-dependent-MS 2 acquisition (DDA-MS 2 ) is presented as a strategy to support the deep metabolites characterization. Targeting Uncaria sessilifructus , a reputable medicinal herb containing alkaloids and triterpenic acids (TAs) as the main pharmacologically bioactive ingredients, a three-dimensional liquid chromatography (3D-LC) system was established by integrating ion exchange chromatography, hydrophilic interaction chromatography, and reversed-phase chromatography (IEC-HILIC-RPC). The first-dimensional chromatography, configuring a PhenoSphere SCX column eluted by methanol/20 mM ammonium acetate-0.05% formic acid in water, could well fractionate the total extract into two fractions (unretained ingredients and alkaloids). The subsequent HILIC using an XAmide column and RPC by a CSH Phenyl-Hexyl column achieved the sufficient resolution of the total TAs and total alkaloids, respectively. A polarity-switching precursor ions list-including DDA approach by Q-Orbitrap-MS enabled the high-efficiency, coverage-enhanced identification of alkaloids and TAs. This 3D-LC/Q-Orbitrap-MS system was validated as precise (RSD < 5% for intra-day/inter-day precision), Up to 308 components were separated from U. sessilifructus , and 128 thereof (including 85 alkaloids, 29 TAs, and 14 others) were identified or tentatively characterized, exhibiting superiority over the conventional one-dimensional LC/MS. Conclusively, 3D-LC/MS in an off-line mode can facilitate the flexible configuration of multiple chromatography to accomplish the fit-for-purpose characterization of the metabolites from an herbal extract or a biosample.
研究领域:
分析化学
·
药学
·
质谱分析
·
中药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
PHYTOMEDICINE
·
2024
·
IF 6.7
Zhihao Liu,Qixiang Shang,Huali Zuo,Haimeng Li,Daozheng Fang,Jiayu Zhang,Hsien-Da Huang,Daniel Granato,Jianping Chen,Jihang Chen
Background Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder characterized by elevated blood glucose levels, posing a significant global health concern due to its increasing prevalence. Insulin resistance (IR) plays a major role in the development of T2DM and is often linked to factors such as obesity, physical inactivity, and a sedentary lifestyle. Recently, there has been growing interest in exploring the potential of natural products for improving insulin sensitivity and glucose metabolism. Among these, Cynomorium songaricum Rupr., an edible parasitic plant, has shown promising antidiabetic effects. However, research on its beneficial effects on IR is still nascent. Therefore, this study aims to investigate the application of a Cynomorium songaricum flavonoid-enriched fraction (CSF) in the treatment of IR in T2DM, along with elucidating the chemical and biochemical mechanisms involved. Method First, UHPLC/ESI-LTQ-Orbitrap-MS was utilized to perform a chemical profiling of Cynomorium songaricum extract (CSF). Subsequently, glycogen synthesis, gluconeogenesis and glucose consumption assays were conducted on HepG2 cells with a high glucose high insulin -induced IR model to illustrate the favorable impacts of CSF on IR. Then, an innovative network pharmacology analysis was executed to predict the potential chemical components and hub genes contributing to CSF's protective effect against IR. To further elucidate molecular interactions, molecular docking studies were performed, focusing on the binding interactions between active constituents of CSF and crucial targets. Additionally, an RNA-sequencing assay was employed to uncover the underlying biochemical signaling pathway responsible for CSF's beneficial effects. To validate these findings, western blot and qPCR assays were employed to verify the pathways related to IR and the potential signaling cascades leading to the amelioration of IR. Results The UHPLC/ESI-LTQ-Orbitrap-MS analysis successfully identified a total of thirty-six flavonoids derived from CSF. Moreover, CSF was shown to significantly improve glycogen synthesis and glucose consumption as well as inhibit gluconeogenesis in HepG2 cells of IR. An innovative network pharmacology analysis unveiled key hub genes—AKT1 and PI3K—integral to metabolic syndrome-related signaling pathways, which contribute to the favorable impact of CSF against IR. Noteworthy active ingredients including quercetin, ellagic acid and naringenin were identified as potential contributors to these effects. The results of western blot and qPCR assays provided compelling evidence that CSF improved insulin sensitivity by modulating the PI3K-Akt signaling pathway. Subsequent RNA-sequencing analysis, in tandem with western blot assays, delved deeper into the potential mechanisms underlying CSF's advantageous effects against IR, potentially associated with the enhancement of endoplasmic reticulum (ER) proteostasis. Conclusion CSF exhibited a remarkable ability to enhance insulin sensitivity in the IR model of HepG2 cells. This was evident through enhancements in glycogen synthesis and glucose consumption, along with its inhibitory impact on gluconeogenesis. Furthermore, CSF demonstrated an improvement in the insulin-mediated PI3K-Akt signaling pathway. The potential active constituents were identified as quercetin, ellagic acid and naringenin. The underlying biochemical mechanisms responsible for CSF's beneficial effects against IR were closely linked to its capacity to mitigate ER stress, thereby offering a comprehensive understanding of its protective action.
研究领域:
药理学
·
生物化学
·
分子生物学
·
糖尿病研究
·
细胞生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2023
·Vol. 415
·期 26
·6399-6410
·
IF 4.3
Jiang Maoyuan,Hua Shiyao,Zou Liang,Wang Yitao,Li Peng
Huangqi Guizhi Wuwu decoction (HGWD), as a classical formula, has been used for thousands of years in China. In this work, a comprehensive strategy was proposed for characterizing the chemical profile of HGWD based on online two-dimensional hydrophilic interaction and reversed-phase liquid chromatography coupled with hybrid linear ion trap-Orbitrap mass spectrometry (online HILIC × RP-ESI/HRMS/MS n ). The compounds in HGWD were first separated by the combined use of an XBridge amide column (150 × 4.6 mm, 3.5 μm) and Accucore C18 column (50 mm × 4.6 mm, 2.6 μm). Modulation with assistant technology, including trap columns and online dilution, was optimized and developed to decrease potential analyte loss and improve the resolution of the system. Subsequently, the accurate mass was determined by high-resolution Orbitrap and MS n fragment data by a hybrid linear ion trap (LTQ). In total, 170 chemical constituents were unambiguously identified or tentatively characterized in both positive and negative ion modes. Our study demonstrated that the proposed online HILIC × RP system coupled to the LTQ-Orbitrap MS platform is an efficient analytical technique for characterizing the chemical profile of multicomponent systems.
研究领域:
分析化学
·
药物分析
·
中医药学
·
质谱分析
·
色谱分析
✓ 已验证
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2022
·
IF 4.601
Zhenzhen Huang,Peng Liu,Xia Lin,Yudong Xing,Yan Zhou,Yuehua Luo,Hian Kee Lee
Perfluoroalkyl and polyfluoroalkyl substances (PFASs) have raised serious public health concerns because of their potential adverse effects in humans as revealed by toxicological and epidemiological research. However, routine monitoring of PFASs is still challenging due to their trace levels in various environmental and biological matrices. In this study, magnetic composite materials based on iron (II, III) oxide (Fe 3 O 4) with surface functionalization by cucurbit(n)uril (CB(n)) (Fe 3 O 4 @CB(n)) ( n = 6, 7, 8), were prepared and evaluated as new adsorbents for the magnetic solid-phase extraction of nine PFASs in lake water, tap water and fish muscle samples. The Fe 3 O 4 @CB(n) was characterized to examine their surface morphologies, sizes magnetism and thermal stability. Featuring good aqueous solution dispersibility, the macrocyclic structure of Fe 3 O 4 @CB(n) was also endowed with strong host-guest interactions, allowing extraction and enrichment capability towards the PFASs in complex matrices. MSPE using Fe 3 O 4 @CB(7) combination with ultra-high performance liquid chromatography coupled to Orbitrap high-resolution mass spectrometry, gave satisfactory quantitative analytical performance with low limits of detection of 0.004–0.04 µg L − 1 and limits of quantification of 0.005–0.1 µg L − 1 , linearities ranging from 0.01 to 10 µg L − 1 with high coefficients of determination (R 2 ≥ 0.993), and enrichment factors (15–76) for the nine target PFASs. The method proved to be effective for the enrichment and analysis of trace levels of PFASs in genuine environmental water and fish muscle samples, indicating that Fe 3 O 4 @CB(7) has promising applicability as an adsorbent for these contaminants.
研究领域:
环境科学
·
分析化学
·
材料科学
✓ 已验证
DOI
PubMed
高影响因子
Separation Science Plus
·
2025
·Vol. 8
·期 8
·e70098
·
IF 1.6
Lin Feng,Ziwei Chen,Yida Zhang,Xuyan Ding,Zhihao Xu,Shaoxian Wang,Jiajia Yi,Zhehao Jiang,Peishi Feng,Ping Wang
This study systematically explored the therapeutic potential and molecular mechanisms of Oroxylum indicum aqueous extract (OI-AE) in ovalbumin (OVA)-induced allergic asthma, utilizing a multifaceted approach that integrated ultra-high-performance liquid chromatography coupled with quadrupole–Orbitrap–tandem mass spectrometry (UHPLC–Q–Orbitrap–MS/MS), network pharmacology, and extensive in vivo validation. Phytochemical analysis identified 19 bioactive constituents, including key flavonoids baicalein and chrysin. Network pharmacology established a “compound-target-disease” interaction network, identifying protein kinase B alpha (AKT1) and epidermal growth factor receptor (EGFR) as primary therapeutic targets, with the PI3K-AKT signaling pathway identified as a key regulatory mechanism. In vivo experiments, involving 60 Balb/c mice randomized into six groups—control (CON), OVA-induced model (OVA), dexamethasone (DEX, 0.05 mg/kg), and low/medium/high-dose OI-AE groups (OI-AE-L/M/H, 0.1/0.4/0.8 g/kg)—demonstrated that OI-AE significantly reduced leukocyte, neutrophil, and eosinophil counts in bronchoalveolar lavage fluid (BALF), increased thymus index, and decreased spleen index. Additionally, it mitigated lung inflammation, fibrosis, collagen deposition, and mucus secretion; lowered serum levels of immunoglobulin E (IgE), interleukin-4 (IL-4), IL-5, and IL-13; and reduced tumor necrosis factor-α (TNF-α) levels in BALF. Conversely, OI-AE elevated interferon-γ (IFN-γ) levels in BALF, enhanced antioxidant enzyme activities of glutathione (GSH) and superoxide dismutase (SOD), and downregulated PI3K/AKT phosphorylation. These findings indicate that OI-AE exerts therapeutic effects on OVA-induced asthma, likely through modulation of the PI3K/AKT signaling pathway, providing a promising foundation for future research and clinical applications in respiratory diseases.
研究领域:
药理学
·
免疫学
·
呼吸系统疾病
·
植物化学
·
质谱分析
·
分子生物学
·
生物医学研究
✓ 已验证
产品关联
DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Mengling Tu,Wen Ma,Jia Chen,Yunxiao Zhu,Yang Liu,Xiaoli Ni,Xianjiang Li
In recent years, imidacloprid, a first generation neonicotinoid pesticide, has attracted considerable attention due to its high detection rate in the environment and food, as well as its detrimental impact on human beings. The identification of structure-related impurities constitutes an essential aspect of pesticide registration and product standard development, and is of paramount importance for exposure risk and safety evaluation. In this study, the analysis of impurities in high-purity imidacloprid material was conducted using a combination of liquid chromatography-high resolution mass spectrometry (Orbitrap) and machine learning platform (SIRIUS + CSI:FingerID). The structure of IMI, as well as the feature fragments, were served as the foundation for decoding the chemical structures of the impurities, and this procedure was guided by the molecular formulas and fragment tree by SIRIUS + CSI:FingerID. Ultimately, 28 impurities were annotated and assigned confidence levels, of which 10 had CAS registry numbers, 5 had PubChem CIDs, and 4 were further verified by three dimension indexes (retention time, ultraviolet spectra and mass spectra) using standards. These impurities have been categorized into three levels (4 in level 1, 12 in level 2a and 12 in level 2b) according to their credibility. This approach was capable of providing accurate molecular formulas and possible structures of impurities, thereby greatly saving the time taken to resolve mass spectra. The elucidated impurity fingerprint can assist in the assessment of the potential health and ecological risks associated with imidacloprid and related impurities.
研究领域:
环境科学
·
农药化学
·
毒理学
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 22
·7743
·
IF 4.927
Qian Zhou,Shanshan Zhang,Xue Geng,Haiqiang Jiang,Yanpeng Dai,Ping Wang,Min Hua,Qi Gao,Shiyue Lang,Lijing Hou,Dianhua Shi,Meng Zhou
Licorice (Gan-Cao, licorice) is a natural antioxidant and roasted licorice is the most common processing specification used in traditional Chinese medicine prescriptions. Traditional Chinese medicine theory deems that the honey-roasting process can promote the efficacy of licorice, including tonifying the spleen and augmenting “Qi” (energy). The antioxidant activity and mechanisms underlying roasted licorice have not yet been reported. In this study, we found that roasted licorice could relieve the oxidative stress injury induced by metronidazole (MTZ) and could restrain the production of excessive reactive oxygen species (ROS) induced by 2,2′-azobis (2-methylpropionamidine) dihydrochloride (AAPH) in a zebrafish model. It was further found that roasted licorice could exert its oxidative activity by upregulating the expression of key genes such as heme oxygenase 1 (HO-1), NAD(P)H quinone dehydrogenase 1 (NQO1), glutamate–cysteine ligase modifier subunit (GCLM), and glutamate–cysteine ligase catalytic subunit (GCLC) in the nuclear factor erythroid 2-related factor 2 (NRF2) signaling pathway both in vivo and in vitro. Furthermore, consistent results were obtained showing that rat serum containing roasted licorice was estimated to reduce cell apoptosis induced by H2O2. Then, the UHPLC-Q-Exactive Orbitrap MS analysis results elucidated the chemical composition of rat plasma containing roasted licorice extracts, including ten prototype chemical components and five metabolic components. Among them, six compounds were found to have binding activity with Kelch-like ECH-associated protein 1 (KEAP1), which plays a crucial role in the transcriptional activity of NRF2, using a molecular docking simulation. The results also showed that liquiritigenin had the strongest binding ability with KEAP1. Immunofluorescence further confirmed that liquiritigenin could induce the nuclear translocation of NRF2. In summary, this study provides a better understanding of the antioxidant effect and mechanisms of roasted licorice, and lays a theoretical foundation for the development of a potential antioxidant for use in clinical practice.Keywords:roasted licorice;antioxidant;NRF2;KEAP1;UHPLC-Q-Exactive Orbitrap MS;zebrafish model
研究领域:
药理学
·
分子生物学
·
中医
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）