MOLECULES
·
2026
·Vol. 31
·期 8
·1238
·
IF 5.1
Cui-Cui Sun,Yi-Ting Chen,Hai-Xia Xu,Yu-Xian Guo,Qing-Feng Zhang
The flowers ofSophora japonicaL. (SJF) andRobinia pseudoacaciaL. (RPF) are edible and similar in appearance. The chemical constituents of SJF and RPF were compared by UPLC-Q-TOF-MS/MS and HPLC analysis in this study. A total of 29 and 19 constituents were identified in SJF and RPF, respectively. Flavonoid glycosides were the main constituents found in both flowers. The main aglycon moieties found in SJF were quercetin, kaempferol and isorhamnetin, whereas acacetin and kaempferol were the main ones found in RPF. Additionally, the content of flavonoids in SJF was significantly higher than that in RPF, as determined by HPLC. Rutin was the most dominant flavonoid in SJF with a content range of 72.31~88.15 mg/g, followed by quercetin (13.05~20.30 mg/g). Kaempferol-di(rhamnoside)-hexoside was the most dominant flavonoid in RPF with a content range of 25.94~30.00 mg/g. The distinct flavonoid profiles indicated the chemical non-equivalence of SJF and RPF. Therefore, RPF should not be considered a direct substitute for SJF in herbal medicine without further pharmacological and clinical validation.
✓ 已验证
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2022
·
IF 3.571
Xiaojiang Wang,Yukun Jiao,Haiyan Zhu,Yan Lu,Daofeng Chen
In the present study, a procyanidins-enriched fraction (PCE) from the rhizome of Fagopyrum dibotrys was obtained by anticomplement activity-guided fractionation. PCE could alleviate H1N1-induced ALI in mice by reducing weight loss, decreasing lung index, and regulating cytokine levels in lung tissue. PCE contained 76.5 ± 1.1% procyanidins with a mean degree of polymerization (mDP) of 5.24 ± 0.16. Meanwhile, thirty-three chemical constituents, including 27 procyanidins and 6 other compounds, were recognized by UPLC-Triple-TOF-MS/MS. Among them, twenty recognized procyanidins were composed of (epi)catechin with B-type link, while the rest consisted of (epi)catechin gallate . Furthermore, six compounds were obtained by preparative HPLC on a C 18 column (250 × 10.0 mm, 5 µm), and their structures were confirmed by mass spectrum (MS), nuclear magnetic resonance (NMR), and specific rotation. The structure-activity relationship analysis indicated that DP and galloylation were closely related to the anticomplement activity of procyanidins. The obtained results revealed that anticomplement procyanidins were one kind of the potentially effective materials of F. dibotrys against H1N1 influenza virus infection, and the in vivo efficacy of these compounds was worthy of further investigation.
研究领域:
药理学
·
病毒学
·
分析化学
·
免疫学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2023
·
IF 6.2
Ziyi Li,Bing Wang,Kunhui Sun,Guo Yin,Ping Wang,Xie-an Yu,Chaofeng Zhang,Jiangwei Tian
Xuebijing injection (XBJ) has a good therapeutic effect on the patients with severe coronavirus disease, but the material basis of XBJ with the anticoagulant effect to improve the coagulopathy and thromboembolism is still unclear. Herein, we developed a new strategy based on aggregation-induced emission (AIE) for monitoring thrombin activity and screening thrombin inhibitors from XBJ. The molecule AIE 603 and the thrombin substrate peptide S-2238 were formed into AIE nanoparticle (AIENP) which emitted notable fluorescence due to the restriction of intramolecular motions. In the presence of thrombin, AIENP was specifically hydrolyzed and AIE 603 was released from AIENP, leading to the decrease of fluorescence intensity. Furthermore, AIENP was combined with ultra-high performance liquid chromatography-fraction collector (UHPLC-FC) and ultra-high performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UHPLC-Q-TOF/MS) for separation, preparation, screening and identification of the thrombin inhibitors from XBJ, a total of 58 chemical constituents were identified, among which 6 compounds possessed higher anticoagulant activity. Notably, the overall inhibition rate of the 6 mixed standards was equivalent to about 60% of the inhibition rate of XBJ. Therefore, this work provides a novel, cheap and simple method for monitoring thrombin activity and is promising to screen active substances from traditional Chinese medicines.
研究领域:
药理学
·
分析化学
·
中医药
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Chemical Science
·
2018
·Vol. 10
·期 1
·257-267
·
IF 9.063
Enhui Wu,Kun Feng,Rui Shi,Rui Lv,Fuzhong Ouyang,Shawn S. C. Li,Jun Zhong,Jian Liu
The soaring concerns globally on antibiotic overuse have made calls for the development of rapid and sensitive detection methods urgent. Here we report that the hybrid CuCoO–GO matrix allows for sensitive detection of various antibiotics in combination with MALDI TOF MS. The new matrix is composed of few-layered GO nanosheets decorated with CuCoO nanoparticles with an average size of 10 nm, and exhibits excellent aqueous suspensibility. Accurate quantitation of the sulfonamide antibiotics in milk samples have been demonstrated using a CuCoO–GO matrix and a stable isotope (C13)-labeled analyte as the internal standard. Our experiments have achieved lower limits of detection (LOD) by several hundred fold for the detection of a panel of representative antibiotics, in comparison with the literature reports. Both intrabacterial and extrabacterial residual antibiotics can be sensitively detected with our method. We have further investigated the molecular mechanism of the enhanced desorption/ionization efficiency by the CuCoO–GO matrix with synchrotron radiation techniques for the first time. This work provides a sensitive matrix enabling MALDI-TOF MS to be applied in small molecular analysis, but also presents a distinct perspective on the mechanism behind the material functions.
研究领域:
分析化学
·
纳米技术
·
材料科学
·
生物医学工程
·
质谱分析
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Communications Biology
·
2024
·Vol. 7
·期 1
·1-15
·
IF 5.2
Zhang Wen,Cai Shuhui,Qin Lihong,Feng Yaru,Ding Menglei,Luo Zichen,Shan Jinjun,Di Liuqing
Aconiti Lateralis Radix Praeparata ( Fuzi in Chinese) is widely used in the clinical treatment of tumors. This study aims to explore the active fractions and underlying mechanisms of Fuzi in the treatment of non-small cell lung cancer (NSCLC). Fuzi alkaloids (FZA) is prepared and found to inhibit the growth of NSCLC both in vitro and in vivo significantly. A total of 53 alkaloids are identified in FZA by UPLC-Q-TOF-MS. Proteomics experiment show that 238 differentially expressed proteins regulated by FZA are involved in amino acid anabolism, pyrimidine metabolism and PI3K/Akt-mTOR signaling pathway. Metabolomics analyses identify 32 significant differential metabolites which are mainly involved in amino acid metabolism, TCA cycle and other pathways. Multi-omics research combined with molecular biological assays suggest that FZA might regulate glycolysis through PI3K/Akt-mTOR pathway to treat NSCLC. The study lays a foundation for the anti-cancer investigation of Fuzi and provides a possible scientific basis for its clinical application.
研究领域:
肿瘤学
·
药理学
·
分子生物学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHEMISTRY & BIODIVERSITY
·
2024
·
IF 2.3
Xinhui Fan,Ke Li,Xuemei Qin,Zhenyu Li,Yuguang Du
Astragali Radix polysaccharides (APSs) exhibit a broad spectrum of biological activity, which is mainly related to immune regulation. At present, most available studies focus on total APSs or a certain component of APSs. However, structural structure study and screening for the anti-inflammatory activity of polysaccharides with different molecular weights (MW) have yet to be conducted. In this study, lipopolysaccharide (LPS)-induced RAW264.7 macrophages were used as a model to investigate the anti-inflammatory activity of APSs and its fractions. The results revealed that fraction APS-I had better anti-inflammatory effects than APS-II. After APS-Ⅰ was hydrolyzed by trifluoroacetic acid (TFA), the resulting degradation products oligosaccharides were fully methylated. These derivatized oligosaccharides were further analyzed by MALDI-TOF-MS and UPLC-Q-Exactive-MS/MS. The results showed that APS-Ⅰ was a hetero-polysaccharide with a molecular weight of about 2.0 × 106 Da, mainly consisting of glucose (46.8%) and galactose (34.4%). The degree of polymerization of Astragali Radix oligosaccharides (APOS) was 2-16. APOS were identified as 1,4-glucooligosaccharides and 1,4-galactooligosaccharides. The findings of this study lay the foundation for further elucidation of structure-function relationships of APSs and provide guidance for the development of anti-inflammatory drugs.
研究领域:
药理学
·
生物化学
·
免疫学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2024
·
IF 4.8
Yanjun Yang,Zhouyang Qian,Chenhui Wu,Yue Cheng,Bing Yang,Jianguo Shao,Jing Zhao,Xiangjun Zhu,Xiaobin Jia,Liang Feng
Ethnopharmacological relevance Pudilan Xiaoyan Oral Liquid (PDL) is a proprietary Chinese medicinal preparation approved by the State for treating acute pharyngitis in both adults and children (Approval No. Z20030095). It is worth noting that children exhibit unique physiopathological characteristics compared to adults. However, the in vivo regulatory characteristics of PDL in treating acute pharyngitis in children remain incompletely understood. Aim of the study The differential absorption and metabolism characteristics of the main pharmacological components in PDL in young and adult rats were investigated with a view to providing a reference for preclinical data of PDL in medication for children. Materials and Methods This study utilized UPLC-Q-TOF-MS to investigate the pharmacodynamic material basis of PDL. The focus was on the gastrointestinal digestion and absorption characteristics of organic acid components in PDL (PDL-OAC), known as the primary pharmacodynamic components in this formulation. The research combined in vitro dynamic simulation and a Quadruple single-pass intestinal perfusion model to examine these characteristics. The permeability properties of PDL-OAC were evaluated using an artificial parallel membrane model. Additionally, an acute pharyngitis model was established to evaluate the histopathological condition of the pharynx in young rats using H&E staining. The levels of IL-1 β , TNF- α , IL-6, and IL-10 in blood and pharyngeal tissue homogenates of young rats were quantified using ELISA kits. Results A total of 91 components were identified in PDL, including 33 organic acids, 24 flavonoids, 14 alkaloids, 5 terpenoids and coumarins, 3 sugars, and 12 amino acids. The PDL-OAC exhibited a significant reduction in IL-1 β , TNF- α , IL-6, and IL-10 levels in the pharyngeal tissues of young rats with acute pharyngitis. Results from dynamic simulation studies of gastrointestinal fluids revealed that the PDL-OAC (Specifically chlorogenic acid (CGA), gallic acid (GA), chicoric acid (CRA), and caffeic acid (CA)) were effectively stabilized in the gastrointestinal fluids of both children and adults in vitro . Young rats, characterized by thinner intestinal walls and higher permeability, efficiently absorbed the four organic acids across the entire intestinal segment. The absorption of CGA, GA, and CRA followed a concentration-dependent pattern, with CGA and GA absorption being influenced by exocytosis. Conclusion The efficacy of the PDL-OAC in treating acute pharyngitis was demonstrated in young rats. The absorption rate of these components was observed to be faster in young rats compared to adult rats, underscoring the need for dedicated studies on the drug's usage in children. This research provides valuable insights for the appropriate clinical use of PDL in pediatric patients.
研究领域:
药理学
·
民族药理学
·
儿科
·
药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2024
·
IF 6
Mengting Lai,Hongzhu Chen,Xiaozhen Liu,Fuxiang Li,Fengyuan Liu,Yuting Li,Jingkun Yan,Li Lin
The aim of this study was to reveal the phenolic profile of mangosteen ( Garcinia mangostana L. ) pericarp and investigate their inhibitory effects on α-amylase and α-glucosidase. Mangosteen pericarp polyphenols (MPP) obtained by acetone extraction were fractionated with gradient ethanol elution. A total of twenty nine phenolic chemicals were found and quantified by UPLC-Q-TOF-MS/MS. MPP eluted by the 60% ethanol solution (MPP 60% ) showed the highest total phenolic content. Moreover, MPP 60% displayed the greatest inhibition activities on α-amylase and α-glycosidase by competitive and mixed inhibitions. Mechanistically, the inhibitory effects of MPP 60% on α-amylase and α-glucosidase involved the changes of the secondary structure as well as the static fluorescence quenching of these enzymes. Pearson correlation coefficients revealed that proanthocyanidin B2, quercetin glucoside, and mangostain contributed most to inhibiting the activities of α-amylase and α-glucosidase. This study indicated that polyphenols from mangosteen pericarps can be developed into potential inhibitors of α-amylase and α-glucosidase, offering a viable strategy for the valorization of mangosteen pericarps.
研究领域:
食品科学
·
药理学
·
生物化学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Lulu Chen,Xiaona Dong,Ruonan Feng,Wanying Li,Dahu Ding,Tianming Cai,Canlan Jiang
Triclosan (TCS) is a compound in pharmaceutical and personal care products (PPCPs) that preferentially accumulates in soil and may threaten human health. Iron-based persulfate activation processes (Fe-PAPs) are a promising technique in soil remediation but are limited by their narrow pH application range and resultant iron precipitation. In this study, oxalic acid (OA) was specifically introduced to improve the efficiency of Fe 2+ -activated persulfate (PS) processes for TCS degradation in soil. The complexation of OA and Fe 2+ improved the total iron concentration in the Fe 2+ /OA/PS system and prevented iron precipitation. Fe-minerals in soil were also dissolved by OA, which participated in PS activation. The most appropriate proportion of Fe 2+ /OA/PS is 1:1:1, and approximately 85% of the TCS was degraded within 240 min compared with 45% in the Fe 2+ /PS system. SO 4 • - and 1 O 2 played important roles on TCS oxidation, while O 2 • - and CO 2 • - mainly participated in the iron cycle. The weak stretch of Fe-O in OA containing treatments in ATR-FTIR measurements provided evidence that OA dissolved the Fe-minerals. The introduction of OA in the Fe 2+ /PS system in four different soils reduced the negative effect of soil organic matter on TCS degradation. Three types of intermediates including hydroxylation, cleavage of ether bonds and cyclization products, were identified by LC-Q-TOF-MS. Column experiments were used to study the feasibility of in situ chemical oxidation (ISCO) remediation of TCS in the Fe 2+ /OA/PS system. Our findings indicated the ability of OA to be used as a cheating agent in Fe-PAPs for TCS soil remediation.
研究领域:
环境科学
·
土壤化学
·
污染物降解
·
修复技术
✓ 已验证
产品关联
DOI
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
MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Xiaopan Liu,Mengge Zhao,Lanlan Wang,Yuting Chen,Guanghui Niu,Xingjie Zhang,Lihong Liu,Changpo Chen
Carboxyl-functionalized covalent organic framework (COF HD ) was synthesized and successfully applied as both an adsorbent and MALDI-MS matrix for the ultrasensitive detection and quantitative analysis of illicit cationic dyes in food samples with low matrix effects. Benefitting from its great thermal stability and strong UV absorption properties, COF HD was an ideal matrix for cationic dyes with no matrix background interference, high ionization efficiency, excellent salt tolerance, and superior reproducibility. Furthermore, the merits of numerous adsorption sites, good water dispersibility, and electronegative natures facilitated the efficient and selective enrichment of cationic dyes from solutions. The proposed method was further applied for the quantitative analysis of CV and RB in real food samples, such as chili, red wine, beverage samples, exhibiting a wide linear range (0.2–40 ng mL −1 for CV and 0.8–200 ng mL −1 for RB with R 2 > 0.98), ultra-high sensitivity (at subppt levels), excellent precision and accurate, satisfactory recovery, and low matrix effects (91.7 %–96.8 %). This work establishes a robust, high-throughput analytical platform for the sensitive detection and precise quantification of illicit cationic dyes in complex food matrices, providing a reliable tool for food safety monitoring.
研究领域:
分析化学
·
食品安全
·
材料科学
·
质谱分析
·
环境污染物检测
✓ 已验证
产品关联
DOI
高影响因子
Journal of Analytical Methods in Chemistry
·
2026
·
IF 2.1
Mengyue Zhang,Feng Han,Mingxuan Yang,Zhishan Ye,Ying Cui,Yuefei Wang,Jing Yang,Xin Chai
Fuganlin oral liquid (FOL) has been clinically employed for the treatment of pediatric qi deficiency colds, manifesting symptoms such as fever, cough, asthma, and sore throat. However, the chemical composition and bioactive components of FOL have not been clearly elucidated. In this study, a comprehensive qualitative analysis of FOL was conducted utilizing ultra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry in conjunction with network pharmacology. A total of 124 chemical components were tentatively characterized, comprising flavonoids, phenolic acids, saponins, coumarins, and others. Among these, 43 compounds were unequivocally identified by comparison with authentic reference standards. Furthermore, network pharmacology analysis revealed that the ingredients of FOL exhibited anti‐inflammatory properties and demonstrated potential efficacy in relieving cough and asthma associated with respiratory tract infections. Collectively, this study provides the first comprehensive characterization of the chemical composition in FOL and explores the potential pharmacological mechanisms of its bioactive constituents, thereby providing scientific support for quality control standards and clinical applications.
✓ 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）