Heliyon
·
2024
·
IF 3.4
Xiaoyu Zhang,Xueyuan Dong,Ruihu Zhang,Shufan Zhou,Wei Wang,Yu Yang,Yuefei Wang,Huijuan Yu,Jing Ma,Xin Chai
Rheumatoid arthritis (RA) is a chronic systemic autoimmune disease that seriously affects the life quality of patients. As a patent medicine of Chinese traditional medicine, YuXueBi capsule (YXBC) is widely used for treating RA with significant effects. However, its active compounds and therapeutic mechanisms are not fully illuminated, encumbering the satisfactory clinical application. In this study, we developed a method for identifying the chemical compounds of YXBC and the absorbed compounds into blood of rats using ultra performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry (UPLC/IM-QTOF-MS) combined with UNIFI analysis software. A total of 58 compounds in YXBC were unambiguously or tentatively identified, 16 compounds from which were found in serum of rats after administration of YXBC. By network pharmacology, these prototype compounds identified in serum were predicted to regulate 30 main pathways (including HIF-1 signaling pathway, neuroactive ligand-receptor interaction, IL-17 signaling pathway, and so on) through 146 targets, resulting in promoting blood circulation and removing blood stasis, analgesia, and anti-inflammatory activities. This study provides a scientific basis for the clinical efficacy of YXBC in the treatment of RA.
研究领域:
中药学
·
药理学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2018
·
IF 4.946
Yu-Ying Zhang,Lei Qin,Yu-Xi Liu,Da-Yong Zhou,Xian-Bing Xu,Ming Du,Bei-Wei Zhu,Megan Thornton
Abalone has been farmed commercially for the last few decades, and the breeding and economic value of abalone have gained extensive attention. In this study, the lipid profile of the foot muscles, viscera, and gonads of male and female Japanese abalone Haliotis discus hannai Ino was explored using ultra performance liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q-TOF-MS), to discuss the effect of lipid composition on its nutritional value. Thirty-four species from ten lipid classes including phosphatidylcholine, phosphatidylethanolamine, phosphatidylserine, phosphatidylglycerol, phosphatidic acid, lysophosphatidic acid, triacylglycerol, steroids, terpenoids and fatty acids were annotated by MS-DIAL to obtain all fragment ions for precursors. Glycerophospholipids (GPLs) enriched in unsaturated fatty acids were the major components, which accounted for 52–57% of total lipids. Considering the high-level of GPLs, and their importance in maintaining the integrity and functionality of cell membranes, further utilization of inexpensive tissues, such as viscera and gonads is warranted.
研究领域:
水产养殖学
·
营养学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2025
·
IF 3.1
Sai Li,Shuangying Yu,Mengyao Zhang,Zeyi Li,Hui Yu,Zhongfu Xing,Beibei Mao,Pan Zhao
In this study, biochars with desirable adsorption capacity were prepared by calcination of herbal medicine residue, and the obtained biochars were loaded on cellulose aerogel through a green synthesis method. The monolithic biochar/cellulose aerogel hybrid was packed in the syringe and used as adsorbent for microextraction in packed syringe (MEPS). After introducing cellulose aerogel as the support, the loss of powdered biochars was avoided, and the entire extraction process can be achieved through simple operation of filtration due to the macroporous structure of cellulose aerogel. Coupled with UPLC-MS/MS, the established method was successfully applied to determine trace level of sulfonamides (SAs) in water samples. Extraction parameters such as pH of sample solution, adsorbent type, sample volume, elution solvent type and elution solvent volume were studied. Under the optimized parameters (pH of sample solution:7, adsorbent type: biochar/cellulose aerogel, sample volume: 20 mL, elution solvent: 0.3 mL methanol, the number of aspiration and dispense of sample solution, washing solvent and elution solvent: 3), desirable linearity correlation coefficient (r) in the range of 0.9951–0.9972 was achieved. The limit of detection varied from 0.00407 to 0.0104 ng/mL, and recovery ranging from 65.3 % to 102.4 % was obtained. The proposed method was demonstrated to be sensitive, accurate and easily operative, providing a convenient protocol for sample pretreatment.
研究领域:
环境科学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2023
·
IF 4.8
Yanni Tai,Dandan Ren,Wanshun Zhao,Haibin Qu,Haoshu Xiong,Xingchu Gong
This work presented the integration of the Analytical Quality by Design concept in developing a UPLC method for the quantification of saponins and phenolic acids in two Compound Danshen Dripping Pills intermediates of a concentrated extract and a supernatant. Prior knowledge and systematic risk analysis were conducted to identify potential critical method parameters (CMPs) that affected critical quality attributes (CQAs). A definitive screening design was employed to investigate the quantitative relationship among the intermediate type, CPPs, and CQAs. Intermediate type was added in the experimental design table as a categorical variable. After the models were built, the method operable design region (MODR) was calculated with an exhaustive search-Monte Carlo method. The CPP combinations with a 95 % or higher probability of reaching the preset standard were collected in MODR. The MODR robustness test was conducted with a Plackett–Burman design. The separation of analytes was achieved with a Waters Acquity HSS T3 (100 × 2.1 mm, 1.8 µm) column at 30 °C, using 0.05 % phosphoric acid and acetonitrile as the mobile phases in gradient elution at a flow rate of 0.40 mL/min. The elution was monitored at UV detection wavelengths of 280 nm and 203 nm. The optimized method was also validated. Good robustness, accuracy, precision, stability and repeatability, and linear regression (R > 0.9997) were obtained. All recoveries of the 9 compounds ranged from 97.8 % to 101.7 %, with an RSD of less than 3.49 %. Nine batches of Danshensu, protocatechualdehyde, rosmarinic acid, salvianolic acid B, salvianolic acid A, notoginsenoside R 1 , ginsenoside Rg 1 , ginsenoside Re, and ginsenoside Rb 1 were analysed. Danshensu was found to be the compound with the highest content.
研究领域:
药物分析
·
中药学
·
分析化学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Food Measurement and Characterization
·
2025
·
IF 3.3
Zhong Shu-Rui,Li Yun,Lai Yu-Ping,Luo Er-Lun,Wang Jie,Chen Jing,Du Ye-Gang
Non-targeted metabolomics was employed to analyze metabolites in wet rice noodles fermented by Burkholderia gladioli pv. cocovenenans (BGC) to explore the potential formation of bongkrekic acid (BA). Three groups were incubated for 72 h: the pathogenic strain BGC 83756-inoculated group, the non-pathogenic strain Burkholderia gladioli (BG) 10574-inoculated group, and a blank control (BK) group. Metabolite dynamics were monitored using ultra-performance liquid chromatography-high resolution tandem mass spectrometry (UPLC-HRMS/MS). BA was not detected in either the BK group or the BG 10574-fermented group during incubation. In contrast, BA was first detected in the BGC 83756-inoculated group at 16 h of fermentation and reached a concentration of approximately 4,800 μg/kg in the late stages of culture. A total of 723 and 606 metabolites were identified in negative and positive ion modes, respectively. Differential metabolites, including BA, α-dimorphecolic acid, and calystegine B 5 , were significantly upregulated in the BGC 83756-fermented group compared to the BG 10574-fermented group. Conversely, sinapic acid, saccharopine, 2-methylbutyrylglycine, and 2-keto-6-acetamidocaproate were significantly downregulated. The non-targeted metabolomics analysis of the BA biosynthetic pathway generally aligned with the bon gene cluster predictions, except for β-branching events.
✓ 已验证
产品关联
DOI
高影响因子
MOLECULES
·
2022
·Vol. 27
·期 19
·6190
·
IF 4.927
Xueru He,Ying Li,Yinling Ma,Yuhao Fu,Xuejiao Xun,Yanjun Cui,Zhanjun Dong
Sorafenib (SOR), an inhibitor of multiple kinases, is a classic targeted drug for advanced hepatocellular carcinoma (HCC) which often coexists with type 2 diabetes mellitus (T2DM). Dapagliflozin (DAPA), a sodium–glucose cotransporter-2 inhibitor (SGLT2i), is widely used in patients with T2DM. Notably, co-administration of SOR with DAPA is common in clinical settings. Uridine diphosphate-glucuronosyltransferase family 1 member A9 (UGT1A9) is involved in the metabolism of SOR and dapagliflozin (DAPA), and SOR is the inhibitor of UGT1A1 and UGT1A9 (in vitro). Therefore, changes in UGT1A9 activity caused by SOR may lead to pharmacokinetic interactions between the two drugs. The objective of the current study was to develop an ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method for the simultaneous determination of SOR and DAPA in plasma and to evaluate the effect of the co-administration of SOR and DAPA on their individual pharmacokinetic properties and the mechanism involved. The rats were divided into four groups: SOR (100 mg/kg) alone and co-administered with DAPA (1 mg/kg) for seven days, and DAPA (1 mg/kg) alone and co-administered with SOR (100 mg/kg) for seven days. Liquid–liquid extraction (LLE) was performed for plasma sample preparation, and the chromatographic separation was conducted on Waters XSelect HSS T3 column with a gradient elution of 0.1% formic acid and 5 mM ammonium acetate (Phase A) and acetonitrile (Phase B). The levels of Ugt1a7 messenger RNA (mRNA) were determined in rat liver and intestine using quantitative real-time polymerase chain reaction (qRT-PCR). The method was successfully applied to the study of pharmacokinetic interactions. DAPA caused a significant decrease in the maximum plasma concentrations (Cmax) and the area under the plasma concentration–time curves (AUC0–t) of SOR by 41.6% and 50.5%, respectively, while the apparent volume of distribution (Vz/F) and apparent clearance (CLz/F) significantly increased 2.85- and 1.98-fold, respectively. When co-administering DAPA with SOR, the AUC0–tand the elimination half-life (t1/2Z) of DAPA significantly increased 1.66- and 1.80-fold, respectively, whereas the CLz/Fsignificantly decreased by 40%. Results from qRT-PCR showed that, compared with control, seven days of SOR pretreatment decreased Ugt1a7 expression in both liver and intestine tissue. In contrast, seven days of DAPA pretreatment decreased Ugt1a7 expression only in liver tissue. Therefore, pharmacokinetic interactions exist between long-term use of SOR with DAPA, and UGT1A9 may be the targets mediating the interaction. Active surveillance for the treatment outcomes and adverse reactions are required.Keywords:UPLC-MS/MS;sorafenib;dapagliflozin;pharmacokinetics;drug–drug interactions
研究领域:
药理学
·
临床药学
·
分子生物学
·
药物代谢
✓ 已验证
产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2019
·Vol. 34
·期 1
·e4703
·
IF 1.748
Shuangshuang Sun,Dongfang Cheng,Shumeng Kong,Xiangping Li,Tongfang Li,Qinglong Yu,Lin Wang
Ibrutinib has an excellent effect in the treatment of mantle cell lymphoma so it has attracted much attention. A novel ibrutinib nanocrystalline was exploited in our study to improve the bioavailability. A fast and reliable UPLC–MS/MS method was established for the accurate quantification of ibrutinib in rat plasma. The chromatographic separation was achieved by an Agilent zorbax SB-C 18 rapid solution HD column (2.1 × 50 mm, 1.8 μm). The mobile phase consisted of deionized water (containing 10 m m ammonium acetate and 0.1% formic acid) and pure acetonitrile. Isocratic elution (water–acetonitrile 10:90, v/v) was adopted and the flow rate was 0.4 mL/min. Column temperature was set to 40°C. Vilazodone was used as the internal standard in this analytical method. Multiple reaction monitoring mode with positive electrospray ionization was selected to detect ibrutinib and vilazodone. Acetonitrile was used to precipitate protein to extract plasma samples. There was no endogenous interference for both ibrutinib and vilazodone and the linear range of this method was 1–2000 ng/mL. The recoveries were 98.4, 97.4 and 102.7% at low, medium and high concentrations. Accordingly, the matrix effect was 96.6, 111.1 and 99.6%. The pharmacokinetic difference between ibrutinib crude and a novel ibrutinib nanocrystalline in rats was investigated by this validated method successfully. The peak concentration and area under the concentration–time curve showed significant differences in gender and the bioavailability was improved after oral administration of ibrutinib nanocrystalline.
研究领域:
药物分析
·
药理学
·
生物医学工程
✓ 已验证
DOI
高影响因子
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
·
2015
·
IF 2.912
Yirong Jiang,Shuqin Mao,Weisu Huang,Baiyi Lu,Zengxuan Cai,Fei Zhou,Maiquan Li,Tiantian Lou,Yajing Zhao
Variations of phenylethanoid glycoside profiles and antioxidant activities in Osmanthus fragrans flowers through the digestive tract were evaluated by a simulated digestion model and UPLC/PDA/MS. Major phenylethanoid glycosides and phenolic acids, namely, salidroside, acteoside, isoacteoside, chlorogenic acid, and caffeic acid, were identified in four cultivars of O. fragrans flowers, and the concentration of acteoside was the highest, being up to 71.79 mg/g dry weight. After simulated digestion, total phenylethanoid glycoside contents and antioxidant activities were significantly decreased. Acteoside was identified as decomposing into caffeic acid, whereas salidroside was found to be stable during simulated digestion. According to Pearson’s correlation analysis, acteoside contents showed good correlations with antioxidant activities during simulated digestion (R2 = 0.994, P < 0.01). In conclusion, acteoside was the major contributor to the antioxidant activity of O. fragrans flowers, and salidroside was considered as the major antioxidant compound of O. fragrans flowers in vivo.
研究领域:
植物学
·
药理学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Frontiers in Chemistry
·
2021
·
IF 5.221
Chang Xiangwei,Zhang Zhenyu,Yan Hui,Su Shulan,Wei Dandan,Guo Sheng,Shang Erxin,Sun Xiaodong,Gui Shuangying,Duan Jinao
Nucleobases, nucleosides, nucleotides and amino acids, as crucial nutrient compositions, play essential roles in determining the flavor, function and quality of Chrysanthemi Flos. The quality of Chrysanthemi Flos from different geographical origins is uneven, but there have been no reports about the screening of their quality markers based on nutritional ingredients. Here, we developed a comprehensive strategy integrating ultra performance liquid chromatography coupled with triple-quadrupole linear ion-trap tandem mass spectrometry (UPLC–MS/MS) and multivariate statistical analysis to explore quality markers of Chrysanthemi Flos from different geographical origins and conduct quality evaluation and discrimination of them. Firstly, a fast, sensitive, and reliable UPLC–MS/MS method was established for simultaneous quantification 28 nucleobases, nucleosides, nucleotides and amino acids of Chrysanthemi Flos from nine different regions in China. The results demonstrated that Chrysanthemi Flos from nine different cultivation regions were rich in the above 28 nutritional contents and their contents were obvious different; however, correlation analysis showed that altitude was not the main factor for these differences, which required further investigation. Subsequently, eight crucial quality markers for nine different geographical origins of Chrysanthemi Flos, namely, 2′-deoxyadenosine, guanosine, adenosine 3′,5′-cyclic phosphate (cAMP), guanosine 3′,5′-cyclic monophosphate (cGMP), arginine, proline, glutamate and tryptophan, were screened for the first time using partial least squares discriminant analysis (PLS-DA) and the plot of variable importance for projection (VIP). Moreover, a hierarchical clustering analysis heat map was employed to intuitively clarify the distribution of eight quality markers in the nine different regions of Chrysanthemi Flos. Finally, based on the contents of selected eight quality markers, support vector machines (SVM) model was established to predict the geographical origins of Chrysanthemi Flos, which yielded excellent prediction performance with an average prediction accuracy of 100%. Taken together, the proposed strategy was suitable to discover the quality markers of Chrysanthemi Flos and could be used to discriminate its geographical origin.
研究领域:
中药学
·
分析化学
·
营养学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY
·
2020
·Vol. 56
·期 6
·2983-2991
·
IF 2.773
Shujie Wang,Guoqin Liu,Weiwei Cheng
Summary This research investigated the effect of carnosic acid (CA), tert-butyl hydroquinone (TBHQ), sesamol (SL) and L-ascorbyl palmitate (AP) on the inhibition of glycidyl esters (GEs) and oxidation parameter changes in rice bran oil (RBO) during heat processing. The electron spin resonance (ESR) analysis showed that the free radical scavenging ability of them was ranked as CA > TBHQ > SL > AP. With the addition of CA, TBHQ, SL and AP (0.6 g kg −1 ), the GEs content was reduced significantly from 987.98 ± 8.45 to 283.87 ± 4.78, 303.21 ± 4.38, 440.52 ± 3.82 and 500.55 ± 2.99 μg kg −1 , respectively. All four free radical scavengers had the highest inhibitory effect on C18:2-GE, followed by C18:1-GE and C16:0-GE. Moreover, the free radical scavengers were also effective to inhibit oil oxidation. Overall, the natural-free radical scavenger may be a promising candidate to mitigate GE formation and oil oxidation due to its effectiveness and safety.
研究领域:
食品科学
·
化学
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2016
·
IF 3.449
Lu Zhang,Zong-cai Tu,Xing Xie,Yu Lu,Zhen-xing Wang,Hui Wang,Xiao-mei Sha
This research aimed to compare the antihyperglycemic and antioxidant abilities, and to characterize the bioactive constituents of two Acer palmatum cultivars, Acer palmatum ‘ Atropurpureum ’ (APA) and Acer palmatum Thunb (APT). Dry materials were respectively extracted with 70% and 90% methanol, followed by sequentially fractionation with ethyl acetate and n -butanol. The phytochemical profile of selected fraction was determined by using UPLC-QTOF-MS/MS. APT is a better source of natural antioxidants and α- glucosidase inhibitors than APA due to its higher total phenolic content (TPC), and stronger antioxidant and α- glucosidase inhibitory activities. The highest total phenolic and total flavonoid content were found in the ethyl acetate fraction (EAF) of 90% methanol extract of APT (468.49 mg GAE/g Extract) and 70% methanol extract of APA (142.60 mg QuE/g Extract), respectively. The EAF of 70% methanol extract of APT gave the strongest DPPH· scavenging ability, ABTS + · scavenging ability and α- glucosidase inhibitory, with the IC 50 values of 7.06, 4.18 and 1.99 μg/mL, respectively. The latter two were much higher than that of individual positive control. HPLC analysis revealed similar phytochemical profiles of all EAFs. Twenty-five compounds, including 3 organic acids, 5 phenolic acids, 8 tannins, 7 flavonoids and 2 proanthocyanidins, were identified or tentatively identified from APT, with tannins and flavonoid glucosides as the major active compounds. The results indicated a strong potential of Acer palmatum as a natural source of excellent antioxidants and antihyperglycemic compounds in the prevention and treatment of type II diabetes and its complication.
研究领域:
植物学
·
药理学
·
代谢疾病研究
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2022
·
IF 9.231
Minghui Sui,Simin Feng,Gaodan Liu,Bilian Chen,Zhenhao Li,Ping Shao
In this study, ultrasonic-assisted deep eutectic solvent (DES) method was used to extract flavonoids from Dendrobium officinale . The mechanism of DESs extraction differences was investigated by physicochemical characterization and molecular dynamics simulation experiments. Moreover, flavonoids from Dendrobium officinale were rapidly identified and quantitatively analyzed by UPLC-Triple-TOF/MS without removing DES. The results showed choline chloride-lactic acid (Chol-Lac) had the best extraction effect among forty groups of DESs, the extraction yield was up to 35.23 ± 2.12 mg/g. It was speculated that the tight hydrogen bond structure was the key to the better extraction ability of Chol-Lac. Meanwhile, the viscosity was the main physical parameter reflecting the hydrogen bond structure of DES. Fourteen flavonoid glycosides were identified, among which the content of rutin (1.94 ± 0.24 mg/g) was the highest. And the results of cluster analysis showed that different DESs had great differences in the extraction of flavonoid glycosides.
研究领域:
药学
·
分析化学
·
植物科学
✓ 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）