RSC Advances
·
2016
·Vol. 6
·期 114
·113209-113218
·
IF 3.289
Jun Yu,Feng Xiao,James Asenso,Peng Zhou,Xiao-Dan Yang,Chun Wang,Wei Wei
Paeoniflorin (Pae), a water-soluble monoterpene glucoside, is the main effective component of total glucoside of paeony (TGP). Pae has a very low bioavailability (3.6%). The aim of this study was to investigate the effects of sex, food and disease status on the pharmacokinetics of paeoniflorin-6′-O-benzene sulfonate (acylated derivative of Pae, CP-25) and its primary metabolite (Pae, M1) after oral administration in the plasma of rats. A specific and sensitive ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) assay for rapid determination of CP-25 and Pae in rat plasma was developed and validated for the first time. The assay was validated in terms of selectivity, linearity, accuracy, precision, recovery, matrix effects and stability. We found that CP-25 had a more extensive distribution in females than that in males, but no differences in M1 levels were found. Food intake could also increase the extent of absorption and decrease the rate of clearance for CP-25 and M1 after oral administration in rats. The disease status would decrease the absorption of CP-25 in rats. Comparing single-doing and multiple-dosing in an adjuvant arthritis (AA) model, the absorption of CP-25 and M1 improved with increasing dosage. Furthermore, during the period of multiple-dosing, CP-25 exhibited a better anti-inflammatory effect in AA rats and no obvious side effects occurred during the dosing period. Our findings provide the basis, and some guidelines, for further studies into the clinical application of CP-25.
研究领域:
药理学
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分析化学
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临床医学
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产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2025
·
IF 8.5
Yongchun Huang,Jie Bai,Jinman Shui,Zhanhai Su,Chengzhu Cao,Haiyan Wang,Qiong Wu,Shoude Zhang
Analysing monosaccharide composition is an essential step in deciphering polysaccharide structures. However, it presents significant challenges due to the pronounced hydrophilicity and the vast array of monosaccharide isomers. Gas/liquid chromatography, coupled with an aldononitrile acetate derivatisation, has been widely used for monosaccharide composition analysis. However, it poses considerable difficulties in simultaneously determining the D/L configurations of these monosaccharides. In this study, a novel method that can simultaneously determine the composition of polysaccharides and their D/L configuration based on L-cysteine methyl ester derivatisation (CMED) and ultra performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) is developed for the comprehensive analysis of monosaccharide types. This method enables the simultaneous characterization of aldoses, ketoses, alditols, and uronic acids. Furthermore, the reaction mechanisms and by-products were meticulously analysed, offering a robust theoretical basis for this novel methodology. Additionally, the developed method was employed to characterize the monosaccharide composition for six plant polysaccharides. Ultimately, the findings demonstrated that the proposed method is effective for confirming monosaccharide composition, encompassing both structural types and absolute configurations.
研究领域:
分析化学
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碳水化合物化学
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生物化学
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植物科学
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产品关联
DOI
PubMed
高影响因子
World Journal of Traditional Chinese Medicine
·
2018
·Vol. 4
·期 1
·21
·
IF 0
Chen Sha,Ma Hong-Yu,Deng Zhe,Zhang Jun,Cheng Jin-Tang,Chen Chang,Liu An
Objective: Anthraquinone (AQ), a major bioactive component of the traditional Chinese medicine HeShouWu, has widespread applications in industry and medicine. The objective of the current study is to explore the differences in the bioavailability of anthraquinones in vivo and the metabolism in liver microsomes. Materials and Methods: In vivo , we used a reliable UPLC-ESI-QqQ-MS/MS method to measure seven AQ compounds in the jugular vein plasma of rats following oral administration of HeShouWu. Furthermore, in order to quantify the bioavailability of AQs in vivo and to further understand the metabolism of these compounds, we compared the in vitro metabolism of AQ in different species with respect to metabolic profiles, the enzymes involved, and catalytic efficiency using liver microsomes from human (HLM), mouse (MLM), rat (RLM), and beagle dog (DLM). Results: We identified two metabolic pathways, including the hydroxylation and glucuronidation of AQ, in the liver microsomes of humans and other species using UPLC-ESI-Q-TOF. We found that substitutions on the AQ ring were crucial to the activity and regioselectivity of its hydroxylation. In general, hydroxylation activity decreased greatly with β-COOH (rhein) and enhanced dramatically with β-OH (emodin). We also found that glucuronidation of the compound emodin-8-O-β-D-glucoside acts as the main isoform in AQ hydroxylation in HLM and DLM. Total microsomal intrinsic clearance values for AQ were greatest in mouse microsomes, followed by those in dog, human, and rat microsomes. Conclusion: The absorption of different anthrquinone compounds varied based on the compound structure, the metabolism types and products of anthraquinones in liver microsomes were different in different species. These findings provide vital information for a deeper unuunderstanding of the metabolism of AQs.
研究领域:
药物代谢
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中药药理学
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分子药理学
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生物分析化学
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转化医学
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DOI
FITOTERAPIA
·
2022
·
IF 3.204
Jili Zou,Siran Wu,Bi Sheng,Jing An,Junhua Meng,Wang Xiong,Jiahan Tao,Wang Han,Lin Zhao,Hanlin Xu,Yonggang Chen
Objective: To investigate changes in the chemical composition of malts under different germination cycles and prepared with different processing methods, thus providing a reference for the clinical application of malt in disease treatment. Methods: Nine malt samples were analyzed by ultra-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS), and the MS fragmentation pathway of 4 compounds (including hordenine , gramine , N -methyltyramine and catechin) were also analyzed. Results: By database comparison and literature search, we detected 31 compounds in raw barley and 33 compounds in both raw malt and roasted malt. Nonetheless, the most of these 33 compounds were detected higher contents in raw malt than in roasted malt. Besides, we detected 15 compounds in brown malt. At Day1 of germination, 31 compounds were detected in malt, without two alkaloids (representative: hordenine). At Day2–5, 33 compounds were detected, with different contents as shown by the peak area comparison; hordenine had a gradually increasing abundance; and nearly one third of the chemical components in barley increased gradually, one third decreased gradually, and one third tended to be stable. Conclusion: Malts under different germination cycles and prepared with different processing methods have varying active ingredients, and especially brown malt exhibits a serious loss of compounds. The tight association between the chemical composition and clinical application of malt offers a basis to the clinically scientific and reasonable selection of Chinese medicinal materials for treatment purposes.
研究领域:
药理学
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分析化学
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食品科学
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中药学
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产品关联
DOI
PubMed
高影响因子
Food Chemistry-X
·
2024
·
IF 6.5
Lichengcheng Ren,Qi Dong,Zhenhua Liu,Yue Wang,Nixia Tan,Honglun Wang,Na Hu
This study aimed to optimize subcritical water extraction process, characterize chemical composition and investigate the biological activities of Nitraria sibirica Pall. (NSP) anthocyanin. Overall, the optimization was achieved under following conditions: extraction temperature 140 °C, extraction time 45 min and flow rate 7 mL/min with the extraction yield of 1.075 mg/g. 3 cyanidin, 3 petunidin, 1 delphinidin and 1 pelargonidin compounds were identified in the anthocyanic extract from NSP via UPLC–Triple–TOF–MS/MS. NSP anthocyanin exhibited better DPPH free-radical scavenging activity than ascorbic acid. It displayed superior α-glucosidase inhibition activity, which was ∼14 times higher than that of acarbose. Moreover, enzyme kinetics results indicated that NSP anthocyanin behaved as a reversible, mixed-type inhibitor. Molecular docking and molecular dynamics simulation results revealed that NSP anthocyanin interacted with α-glucosidase mainly via van der Waals forces, hydrogen bond and possessed fairly stable configuration. Therefore, NSP anthocyanin is a promising α-glucosidase inhibitor for diabetes mellitus.
研究领域:
化学
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药理学
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食品科学
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分析化学
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生物化学
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2018
·Vol. 410
·期 25
·6619-6632
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IF 3.307
Li Shuo,Jia Mengtian,Guo Hongqiao,Hou Xiaohong
In this work, a variety of highly porous metal organic framework/chitosan (MOF/CS) foams (MIL-53(Al)/CS, MIL-53(Fe)/CS, MIL-101(Cr)/CS, MIL-101(Fe)/CS, UiO-66(Zr)/CS, and MIL-100(Fe)/CS) were designed and prepared by an ice-templating process. The introduction of MOFs made these foams achieve excellent inherent characters in terms of strength, stability, and adsorption ability. The MOFs incorporated in the foams retained their unique properties. Additionally, the foams were durable and their adsorption abilities had only a little loss after being recycled several times. MIL-53(Al)/CS foam was selected as an adsorbent candidate to develop an ultrasound-assisted solid-phase extraction (UA-SPE) method for the first time, owing to its particularly noteworthy performance among the prepared MOF/CS foams. The method was then successfully applied to extract trace amount of five parabens (methylparaben, ethylparaben, propylparaben, butylparaben, benzylparaben) in water samples, followed by ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS) detection. Several experimental parameters were investigated. Under the optimal conditions, the linear ranges were 0.5–200 μg/L with regression coefficients ( r 2 ) from 0.9948 to 0.9983. The method detection limits were between 0.09 and 0.45 μg/L. The recoveries ranged from 78.75 to 102.1% with relative standard deviations (RSDs) < 7.4%. Furthermore, the molecular interactions and free binding energies between MOFs and parabens were calculated by means of molecular docking to explain the adsorption mechanism deeply. The novel method proposed in this work exhibited many benefits such as easy operation, high enrichment efficiency, less solvent consuming, and higher sensitivity. Such a strategy would expand the application prospect of MOFs in sample pretreatment.
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研究领域:
环境科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2025
·
IF 4
Jinni Zhang,Songtao Li,Xiaojing Li,Canrong Chen,Wen Xie,Yanhui Zhong,Zian Lin,Zongwei Cai
Perfluoroalkyl carboxylic acids (PFCAs) are a class of persistent organic pollutants (POPs), which posed various hazards to organisms, including reproductive, developmental, neurological, and immunological toxicity. Consequently, developing an analytical method aimed at achieving highly sensitive detection of trace amounts of PFCAs in complex samples is clearly of great significance. Herein, the Fluorine-functionalized covalent organic framework (F-COF) was synthesized at ambient temperature, which has the advantages of high specific surface area (1297.7 m 2 g -1 ), suitable selective adsorption pore size and good stability. Based on the multiple effects of suitable pore size, fluorine-fluorine interactions and hydrophobic interactions, F-COF exhibited high adsorption performance towards PFCAs. Accordingly, the method of F-COF-based dispersive solid-phase extraction (dSPE) coupled with UPLC-MS/MS was developed for the quantitative analysis of 5 PFCAs in complex biological samples. The results showed that the good linearity for the 5 PFCAs within the concentration ranges of 0.4 to 10 4 ng L -1 , with correlation coefficients (r) all greater than 0.9993. The enrichment factors (EFs) ranged from 11.4 to 22.3 folds, and the limits of detection (LODs) were 0.11 to 0.17 ng L -1 . The established method provided a powerful tool for the enrichment and detection of PFCAs in mice serum and tissue. F-COF holds promising application prospects as a solid-phase extraction material for efficient enrichment separation and detection of PFCAs.
研究领域:
分析化学
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环境科学
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毒理学
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产品关联
DOI
PubMed
高影响因子
SCIENTIA HORTICULTURAE
·
2023
·
IF 4.3
Muhammad Khalid Hameed,Wajid Umar,Ali Razzaq,Shiwei Wei,Qingliang Niu,Danfeng Huang,Liying Chang
Lettuce is an important leafy vegetable and an excellent source of phytochemicals in human diets. However, the metabolic levels in different green and red type lettuce varieties are not fully explored. Therefore, it is important to explore and identify the selected health promoting secondary metabolites in green and red type lettuce varieties with having different phenotypic characteristics. In this study, we explored the selected secondary metabolites, total polyphenol, antioxidants activities, total flavonoids and anthocyanin contents in 32 lettuce varieties of green and red color. The results showed that green and red type lettuce varieties showed a significant difference in lactupicrin, chlorogenic acid, caffeoylmalic acid, syringic acid and quercetin 3-D-galactoside. Selected metabolites showed a significant variation in green and red type lettuce varieties depends upon different color and phenotypic characteristics. Total flavonoids and anthocyanin contents were found more in red type lettuce varieties while the total polyphenols and total antioxidants were found significantly higher in green type lettuce varieties. Tentative identified 78 metabolites with online databases, the published literature and standards including phenolic acid, flavonoids and glycosylated flavonoids. The metabolomic profiling was present at significantly difference in green and red type lettuce varieties which suggested the significant variation between green and red type lettuce varieties to secondary metabolism. This study provides a selection of lettuce varieties for further studies on the basis of color and phenotypic characteristics for improving the nutritional value, quality and yield of lettuce.
研究领域:
植物科学
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营养学
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分析化学
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代谢组学
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产品关联
DOI
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2021
·
IF 4.556
Ruixuan Zhao,Hui Zou,Renjie Zhao,Ningyang Li,Zhenjia Zheng,Xuguang Qiao
The formation of pigment precursors was investigated systematically using green models containing arginine, lysine, alanine, glycine, serine, tyrosine, glutamic acid, and aspartic acid, respectively. Pigment precursor and blue pigments during garlic greening were investigated using ultra-performance liquid chromatography and tandem high-resolution mass spectrometry with a quadrupole time-of-flight analyser (UPLC–ESI-Q-TOF-MS). The intermediate products during the formation of a pigment precursor with a 3-oxopropenyl side chain were tentatively identified. N -substituted 3,4-dimethylpyrrole pigment precursors were found to react with 2-propenesulfenic acid first, and the propenesulfenic acid side-chain decomposed to a 3-oxopropenyl side chain, which provided a hypothesis of the formation pathway. Density functional theory calculations combined with the experimental results led to the conclusion that the primary amino group located on the α-carbon reacted with 3,4-dimethylbutanedithial S -oxide to form pigment precursors. In contrast, the amino group in the amino acid R group did not participate in pigment precursors formation. The R -groups of amino acids containing hydroxyls or carboxyl groups have influential roles in the stability of N -substituted 3,4-dimethylpyrrole pigment precursors. In contrast to a previous report, larger R-groups made a more outstanding contribution to the production of blue pigments.
研究领域:
食品科学
·
化学
·
光谱学
·
生物化学
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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
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植物化学
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生物信息学
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代谢通路分析
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DOI
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
·
2025
·
IF 5.4
Wanting Fu,Aoqi Ye,Huimin Yang,Xia Hou,Zhongjing Wang,Zhun Hu,Xiang Yu,Xindi Li,Zejun Yu,Yang Li,Yinsheng Qiu,Zhinan Mei,Lingyun Xu
Ethnopharmacological relevance Gouty arthritis (GA) is a disease caused by the malfunction of purine and/or uric acid metabolism. Tongzhi Surunjing Pills (TZSRJP), a traditional Chinese medicine formula derived from the ancient Uyghur book “Karzhibadin Kadeer”, is used clinically to treat GA, which still needs more research in its complex regulatory mechanisms. Aim of study The aim of the study was to elucidate the main potential active components of TZSRJP and the mechanism by which it treated GA. Methods We used network pharmacology and molecular docking to predict possible active ingredients and targets, and UPLC-MS to identify the content of key components, followed by transcriptomics to analyze targets of action and also demonstrated our hypothesis in rats. Results Network pharmacology showed that TZSRJP Contained 120 active components and 934 potential targets. 9 of major active ingredients, such as gallic acid, colchicine, senoside A, and so on were identified and quantified by UPLC-MS. KEGG predicted the therapeutic effects mainly through NOD-like receptor pathway, Toll-like receptor pathway, and NF-κB pathway; molecular docking showed that its main active ingredients had high affinity with inflammation-related proteins such as NLRP3, IL-1β, and TNF. Transcriptomics also verified that the therapeutic effects were mainly carried out through inflammatory pathways. In vivo experiments verified the efficacy of TZSRJP in the treatment of GA and reduced the expression of proteins and genes related to the NLRP3 pathway. Therefore, TZSRJP alleviates GA development through the NLRP3 pathway, and the main components contain colchicine, gallic acid, and so on.
研究领域:
药理学
·
民族药理学
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生物信息学
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分子生物学
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药物化学
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免疫学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2023
·
IF 3
Jingwen Zhang,Junning Liu,Yuheng Wang,Yong Wang,Ruiqin Yang,Xinyang Zhou
Since neonicotinoid insecticides are now the most extensively used insecticides worldwide, there are increasing cases of neonicotinoid poisoning. A rapid and sensitive method was developed for the determination of ten neonicotinoid insecticides and a metabolite 6-chloronicotinic acid in human whole blood. The types and amounts of extraction solvent, salting-out agent, and adsorbent in the QuEChERS method were optimized by comparing the absolute recoveries of 11 analytes. The separation was performed on an Agilent EC18 column with the gradient elution with 0.1% formic acid in water and acetonitrile as the mobile phase. The quantification was achieved by Q Exactive orbitrap high-resolution mass spectrometry under parallel reaction monitoring scan mode. The 11 analytes showed good linearity with R 2 ≥ 0.9950, LODs ranging from 0.01 μg/L to 0.30 μg/L, and LOQs from 0.05 μg/L to 1.00 μg/L. The recoveries ranged from 78.3% to 119.9% at low, medium, and high spiked concentrations of blank blood, with matrix effects ranging from 80.9% to 117.8%, inter-day RSDs from 0.7% to 6.7%, and intra-day RSDs from 2.7% to 9.8%. The method was furthermore applied to a real case of neonicotinoid insecticide poisoning to demonstrate its feasibility. The proposed method is suitable for the rapid screening of neonicotinoid insecticides in poisoned human blood in the field of forensic science, as well as monitoring of neonicotinoid insecticide residues in humans in the field of environmental safety, compensating for a lack of studies on neonicotinoid insecticide determination in biological samples.
研究领域:
分析化学
·
法医学
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环境科学
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毒理学
✓ 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）