JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2022
·
IF 3.571
Yan Su,Lin Tao,Xiaoli Zhang,Xianjie Sheng,Qin Li,Wenying Fei,Tao Yin,An Kang,Jiye Aa,Guangji Wang
Dalitong Granules , a potent gastrointestinal motility promoting traditional Chinese medicine, is used to treat functional dyspepsia clinically. It shows good effect on alleviating gastrointestinal motility disorders and has a broad prospect of clinical application. However, there is no comprehensive study on its in vivo and in vitro chemical analysis. UPLC-Q-TOF-MS combined with the non-targeted characteristic filter analysis and in silico prediction strategies (NCFS) were used to deduce and identify the chemical components and in vivo metabolites in the bio-samples of rats following oral administration of Dalitong Granules . In this study, 108 chemical components were identified in Dalitong granules , including 50 flavonoids, 22 alkaloids, 13 terpenes, 11 organic acids, 10 coumarins and 2 volatile oils. In the plasma, tissue, urine and fecal samples of rats after administration of Dalitong granules , a total of 147 compounds were speculated (60 prototype compounds and 87 metabolites). The main metabolic pathways in vivo include methylation, demethylation, deglycosylation, hydrogenation, hydroxylation, sulfonation and glucuronidation as there are many flavonoids existing in Dalitong Granules . In conclusion, the chemical components and metabolites of Dalitong Granules were comprehensively identified by using a rapid and accurate analysis method, which laid a foundation for dissecting its bioactive substances. In addition, it provides a scientific basis for the in-depth study of the material basis of Dalitong Granules efficacy and its further comprehensive development and utilization.
研究领域:
药理学
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分析化学
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中药学
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代谢组学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2019
·Vol. 24
·期 13
·2380
·
IF 3.06
Dongshuai Shen,Ning Ma,Yajun Yang,Xiwang Liu,Zhe Qin,Shihong Li,Zenghua Jiao,Xiaojun Kong,Jianyong Li
Aspirin eugenol ester (AEE) is a novel compound that is formed from the esterification of aspirin (acetylsalicylic acid (ASA)) and eugenol. This study aimed to investigate the effects of AEE on blood stasis in rats and to characterize the underlying mechanisms using a plasma metabolomic study. The results indicate that AEE and ASA could modulate whole blood viscosity (WBV), plasma viscosity (PV), blood coagulation parameters, platelet count, platelet aggregation, lactate dehydrogenase (LDH), creatinine (CR) and the levels of thromboxane A2 (TXA2) and 6-keto prostaglandin F1α (6-keto-PGF1α). The metabolic profiles of the plasma samples from all groups were clearly separated in the score plots. Nineteen potential metabolites were selected and identified, and disordered levels of these metabolites could be regulated by AEE and ASA. Pathway analysis showed that the mechanism of action of AEE on blood stasis might be principally related to the metabolism of amino acid, fatty acid, energy and glycerophospholipid. The above results indicate that AEE protected the rats against blood stasis, and that this effect might have been caused by the anticoagulation activity of AEE and its abilities to maintain a balance between TXA2and PGI2, reduce blood viscosity, inhibit platelet aggregation and normalize the plasma metabolic profile.Keywords:blood stasis;AEE;aspirin;metabolomics;UPLC-Q-TOF/MS
研究领域:
药理学
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代谢组学
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药物化学
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血液学
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产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2020
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IF 4.972
An Peng,Lianzhu Lin,Mouming Zhao
This study aimed at obtaining precise quality control standards to efficiently screen Chrysanthemum morifolium Ramat. ‘ Boju ’ with strong xanthine oxidase (XO) inhibitory activity for developing C. morifolium ‘ Boju ’ extract based-hypouricemic functional food. The results indicated significant differences in volatile and phenolic profiles and XO inhibitory (XOI) activities of 31 batches of C. morifolium ‘ Boju ’ collected in herb/tea market. The minority of C. morifolium ‘ Boju ’ having abundant characteristic monoterpenoids and flavonoid aglycones showed strong XOI activities, while the majority of C. morifolium ‘ Boju ’ possessing few corresponding monoterpenoids and flavonoid aglycones exhibited moderate XOI activities. Seven XOI activity-directly related phenolics and ten XOI activity-indirectly related volatiles were identified by UPLC-ESI-QTOF/MS-based and HS-SPME-GC/MS-based spectrum-effect relationships, respectively. Three flavonoids (luteolin, apigenin and acacetin) identified as key XO inhibitors and four monoterpenoids (filifolone, α-terpineol, thymol and piperitenone) closely related to key XO inhibitors were screened for XOI activity-oriented quality control of C. morifolium ‘ Boju ’.
研究领域:
药理学
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分析化学
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植物科学
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产品关联
DOI
PubMed
高影响因子
Frontiers in Sustainable Food Systems
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2023
·
IF 4.7
Cui Hui-Na,Gu Hui-Wen,Li Zhi-Quan,Sun Weiqing,Ding Baomiao,Li Zhenshun,Chen Ying,Long Wanjun,Yin Xiao-Li,Fu Haiyan
The production season is one of the judgment standards of the green tea quality and spring tea is generally considered of higher quality. Moreover, early spring tea is usually more precious and sells for a higher price. Therefore, a multifaceted strategy that integrates lipidomics and metabolomics, based on UPLC-Triple-TOF/MS coupled with chemometrics, was developed to discriminate early spring green tea (ET) and late spring green tea (LT). Twenty-six lipids and forty-five metabolites were identified as characteristic components. As for characteristic lipids, most of glycerophospholipids and acylglycerolipids have higher contents in ET. By contrast, glycoglycerolipids, sphingolipids and hydroxypheophytin a were shown higher levels in LT samples. Most of the differential metabolites identified were more abundant in ET samples. LT samples have much higher catechin, procyanidin B2, and 3',8-dimethoxyapigenin 7-glucoside contents. Based on the integration of differential lipids and metabolites, the reconstructed orthogonal partial least squares discriminant analysis (OPLS-DA) model displayed 100% correct classification rates for harvest time discrimination of green tea samples. These results demonstrated that the integration of lipidomics and metabolomics approaches is a promising method for the discrimination of tea quality.
研究领域:
农业化学
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食品科学
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分析化学
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植物科学
✓ 已验证
产品关联
DOI
高影响因子
Heliyon
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2023
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IF 4
Lingling Song,Jian Xu,Yanqiong Shi,Hemiao Zhao,Min Zhang,Yuefei Wang,Ying Cui,Xin Chai
Febrile seizures (FS) are the most common type of seizures for children. As a commonly used representative cold formula for resuscitation, Zixue Powder (ZP) has shown great efficacy for the treatment of FS in clinic, while its active ingredients and underlying mechanism remain largely unclear. This study aimed to preliminarily elucidate the material basis of ZP and the potential mechanism for the treatment of FS through ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS), network pharmacology, and molecular docking. UPLC-Q-TOF-MS was firstly applied to characterize the ingredients in ZP, followed by network pharmacology to explore the potential bioactive ingredients and pathways of ZP against FS. Furthermore, molecular docking technique was employed to verify the binding affinity between the screened active ingredients and targets. As a result, 75 ingredients were identified, containing flavonoids, chromogenic ketones, triterpenes and their saponins, organic acids, etc. Through the current study, we focused on 13 potential active ingredients and 14 key potential anti-FS targets of ZP, such as IL6, STAT3, TNF, and MMP9. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis showed that inflammatory response, EGFR tyrosine kinase inhibitor resistance, AGE-RAGE signaling pathway in diabetic complications, and neuroactive ligand-receptor interaction were the main anti-FS signaling pathways. Licochalcones A and B, 26-deoxycimicifugoside, and hederagenin were screened as the main potential active ingredients by molecular docking. In conclusion, this study provides an effective in-depth investigation of the chemical composition, potential bioactive components, and possible anti-FS mechanism of ZP, which lays the foundation for pharmacodynamic studies and clinical applications of ZP.
研究领域:
药理学
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分析化学
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神经科学
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中医中药
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DOI
高影响因子
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
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2024
·Vol. 333
·期 3
·1357-1365
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IF 1.5
Mei Lingzi,Shao Hui,Cui Lingzhi,Yang Jinmin,Zhang Lei
A novel method for rapid radioanalytical measurement of uranium and plutonium in 100ml emergency urine samples was developed, through optimized selection of the separation and purification process and a combined measurement with ICP-TOF-MS and alpha spectrometry. The typical analytical time is within 6 h, the recovery rates are more than 80%, and the minimum detection activity concentrations are 3.4 × 10 −4 Bq/L for 238 U and 2.5 × 10 −3 Bq/L for 239 Pu respectively. The spiked test shows that this method can be used for quantitative evaluation of the activity concentration of 238 U and 239 Pu in urine samples accurately.
研究领域:
放射化学
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环境科学
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医学检测
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DOI
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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2022
·Vol. 24
·期 17
·10394-10407
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IF 3.945
Jing Xiao,Cong Wang,Bai-Qi Feng,Tian-Yu Liu,Shao-Yi Jia,Hai-Tao Ren,Yong Liu,Song-Hai Wu,Xu Han
Although synthesis of oligoaniline (OANI) by persulfate and aniline has been investigated in the recent years, the impact of phenol on the synthesized soluble OANI is still not clear. In this study, our results indicate that phenol and pH mediate the production of the blue water-soluble OANI (OANIblue) in the reaction between sodium persulfate (SPS) and aniline under alkaline conditions, and the yields of OANIblue increase with increasing concentrations of phenol and pH values. Quenching experiments rule out the contributions of SO4˙− and ˙OH to aniline oxidation and imply that the non-radical activation of SPS is an important pathway in the formation of OANIblue. MALDI-TOF-MS analysis indicates that phenol apparently inhibits the polymerization degree of aniline in that the molecular weights of OANIblue gradually decrease from 1586.4 to 684.6 when phenol is increased from 0 to 2.0 mM. FTIR and Raman analyses confirm the structure of aniline oligomers in OANIblue and indicate that phenol inhibits the phenazine-like structure in OANIblue and facilitates the transformation of benzenoid rings to quinoid rings in the oxidation products. However, simultaneous activation of SPS by phenol and aniline is likely to occur in the reaction system with the formation of PhNH˙, as indicated by DFT calculations. The high scavenging reactivity of phenol towards both PhNH2˙+ and PhNH˙ implies that PhNH2˙+ and PhNH˙ are not the intermediates in the formation of OANIblue. DFT calculations also reveal that apart from the one-electron transfer pathway between aniline and SPS, the two-electron transfer pathway is also likely to occur in the presence of phenol, resulting in the formation of PhNH+/PhN˙˙ without producing PhNH2˙+ and PhNH˙. The produced PhNH+/PhN˙˙ intermediates then couple with aniline, PhNH+, aminophenyl sulfate and its hydrolysate to form dimers, trimers, oligomers, and eventually OANIblue. This study not only describes a novel method to prepare water-soluble OANI, but also gives new insight on the importance of phenol in the production of OANIblue.
研究领域:
化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2016
·Vol. 21
·期 9
·1204
·
IF 2.465
Meng-Hua Liu,Qi Zhang,Yuan-He Zhang,Xian-Yuan Lu,Wei-Ming Fu,Jing-Yu He
BothRosa roxburghiiandR. sterilis, belonging to the Rosaceae, are endemic species in Guizhou Province, China. The fruits of these two species are mixed-used as functional food in the region. Aiming to elucidate the phytochemical characteristics ofR. roxburghiiandR. sterilisfruits, the essential oils and constituents in a methanol extract have been analyzed and compared by GC-MS and UFLC/Q-TOF-MS, respectively. As a result, a total of 135 volatile compounds were identified by GC-MS and 91 components were different betweenR. roxburghiiandR. sterilisfruits; a total of 59 compounds in methanol extracts were identified by UFLC/Q-TOF-MS, including 13 organic acids, 12 flavonoids, 11 triterpenes, nine amino acids, five phenylpropanoid derivatives, four condensed tannins, two stilbenes, two benzaldehyde derivatives and one benzoic acid derivative; and nine characteristic compounds were found betweenR. roxburghiiandR. sterilisfruits. This systematic study plays an important role forR. roxburghiiandR. sterilisfruits in the product development.Keywords:Rosa roxburghii;Rosa sterilis;constituents;GC-MS;UFLC/Q-TOF-MS
研究领域:
植物学
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食品科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Zhang-Na Qin,Jia-Min Chen,Jia-Wei Li,Zhen-Peng Zhen,Qi-Zhao Chen,Zhi-Qiang Zhang,Gui-Hua Wang,Yu-Feng Gao
The slight structural differences between carbohydrate isomers pose considerable difficulties for their identification and quantification. Herein, a rapid method for the absolute quantification of glucose and fructose isomers using matrix-assisted laser desorption/ionization time-of-flight/time-of-flight tandem mass spectrometry (MALDI-TOF/TOF MS/MS). A novel reagent, 4-trimethylamino-6-(4-methoxy-1-naphthyl)-1,3,5-triazine-2-(3-aminophenylboronic acid) (TMNTA), was synthesized and employed as a reactive matrix. This matrix significantly enhances the ionization efficiency of monosaccharides while avoiding matrix interferences. Glucose- 13 C 6 was utilized as an internal standard for the quantitative analysis of both monosaccharides, exhibiting a strong linear correlation (R 2 ≥ 0.990). By integrating the concentration relationships of glucose and fructose derived from two diagnostic ions produced from the TMNTA-derivatized monosaccharides, this approach facilitates the absolute quantification of glucose and fructose. The method was successfully applied to the absolute quantification of these monosaccharides in honey. The proposed approach offers a simple, rapid, and high-throughput analysis of glucose and fructose isomers in complex samples.
研究领域:
分析化学
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食品科学
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生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2018
·Vol. 23
·期 11
·2891
·
IF 3.098
Xiao Chen,Jia Xiong,Shenlin Huang,Xun Li,Yu Zhang,Liping Zhang,Fei Wang
The proanthocyanidins from ethanol extracts (80%,v/v) ofAcacia mearnsii(A. mearnsii) bark on chemical-based and cellular antioxidant activity assays as well as carbolytic enzyme inhibitory activities were studied. About 77% of oligomeric proanthocyanidins in ethanol extracts ofA. mearnsiibark were found by using normal-phase HPLC. In addition, HPLC-ESI-TOF/MS and MALDI-TOF/TOF MS analyses indicated that proanthocyanidins fromA. mearnsiibark exhibited with a degree of polymerization ranging from 1 to 11. These results of combined antioxidant activity assays, as well as carbolytic enzyme inhibitory activities of proanthocyanidins fromA. mearnsiibark, indicated an encouraging antioxidant capacity for the high polyphenol content and a potential for use as alternative drugs for lowering the glycemic response.Keywords:proanthocyanidins;HPLC/MS;MALDI-TOF/MS;antidiabetic;antioxidant;degree of polymerization
研究领域:
药理学
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生物化学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
·
2022
·Vol. 36
·期 20
·e9358
·
IF 2.586
Donghai Xu,Fangfang Pan,Hao Ruan,Nan Sun
Rationale Hydroxychloroquine sulfate is effective in the treatment of malaria and autoimmune diseases and as an antiviral drug. However, unreported impurities are often detected in this drug, which pose a health risk. In this study, the structures of hydroxychloroquine and six unknown impurities were analyzed using ultra-high-performance liquid chromatography-quadrupole/time-of-flight-tandem mass spectrometry (UHPLCQ/TOF/MS/MS), and the structures were characterized using liquid chromatography-solid-phase extraction-nuclear magnetic resonance (LC-SPE-NMR) spectroscopy. Methods An Agilent InfinityLad Poroshell HPH-C18 column (100 × 4.6 mm, 2.7 μm) was used. For the analysis of hydroxychloroquine and six unknown impurities, the mobile phase was 20 mM ammonium formate aqueous solution and methanol/acetonitrile (80:20, v/v) using gradient elution. Full-scan MS and MS 2 were performed to obtain as much structural information as possible. In addition, six unknown impurities were separated by semipreparative liquid chromatography and characterized using LC-SPE-NMR. Results The MS 2 fragmentation patterns of the impurities were investigated, leading to more structural information and an understanding of the fragmentation pathways of the impurities. The structures of the unknown impurities were confirmed using NMR. In addition, some possible pathways of the formation of the impurities in the drugs were outlined, and these impurities were found to be process impurities. Conclusions Based on the identification and characterization of these impurities, this study also describes the cause of the production of the impurities and provides insights for companies to improve their production processes and a scientific basis for the improvement of the related pharmacopoeias.
研究领域:
药学
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分析化学
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医学
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产品关联
DOI
PubMed
高影响因子
Foods
·
2020
·Vol. 9
·期 6
·770
·
IF 4.092
Xiaoqin Wang,Chunhuan Li,María del Mar Contreras,Vito Verardo,Ana María Gómez-Caravaca,Chen Xing
Tree peonies (Paeonia ostiiandPaeonia rockii) are popular ornamental plants. Moreover, these plants have become oil crops in recent years. However, there are limited compositional studies focused on fatty acids. Therefore, this work aims to reveal compositional characteristics, regarding fatty acids, sterols, γ-tocopherol and phenolic compounds, of tree peony seed oils from all major cultivation areas in China, and to compare with herbaceous peony seed oil. For that, an integrative analysis was performed by GC-FID, GC-MS and UHPLC-Q-TOF-MS technologies. The main fatty acid was α-linolenic acid (39.0–48.3%), while β-sitosterol (1802.5–2793.7 mg/kg) and fucosterol (682.2–1225.1 mg/kg) were the dominant phytosterols. Importantly, 34 phenolic compounds, including paeonol and “Paeoniaglycosides” (36.62–103.17 μg/g), were characterized in vegetable oils for the first time. Conclusively, this work gives new insights into the phytochemical composition of peony seed oil and reveals the presence of bioactive compounds, including “Paeoniaglycosides”.Keywords:tree peony seed oil;fatty acids;sterols;phenolic compounds;UHPLC-Q-TOF-MS/MS
研究领域:
植物化学
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食品科学
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分析化学
✓ 已验证
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）