RSC Advances
·
2024
·Vol. 14
·期 12
·8303-8312
·
IF 3.9
Na Li,Mengnan Liang,Hao Zhang,Zhongxia Hua,Ling Ma,Yanyu Qi,Ke Wang
The excessive use of quinolones (QNs) has seriously threatened human health. In this study, a novel functionalized magnetic covalent organic framework Fe3O4@SiO2@Ah-COF was fabricated with biphenyl-3,3′,5,5′-tetracarbaldehyde and hydrazine hydrate (85%) as monomers and was used as a magnetic solid-phase extraction (MSPE) absorbent for the determination of 24 QNs in water and egg samples through ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The extraction parameters of MSPE were optimized, including pH, adsorbent dosage, adsorption time, and eluent type. An effective and rapid detection method was then established, which showed good linearity (R2 ≥ 0.9990), low limits of detection (0.003–0.036 μg L−1) and low limits of quantitation (0.008–0.110 μg L−1) for QNs. The good recoveries of 24 QNs in water and egg samples were in the range of 70.3–106.1% and 70.4–119.7%, respectively, with relative standard deviations lower than 10% (n = 5). As a result, Fe3O4@SiO2@Ah-COF is a promising magnetic adsorbent, and the established method was successfully applied for the determination of 24 QNs in water and egg samples.
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DOI
PubMed
高影响因子
Heliyon
·
2024
·
IF 3.4
Ruijie Li,Haoliang Ke,Pan Liu,Qian Yang,Yuxin Li,Longzhu Ke,Xiuping Wang,Chaoyan Wu,Yingwen Zhang
Ethnopharmacological relevance Yiai Fuzheng formula (YAFZF), as a Traditional Chinese Medicine (TCM) prescription, has been used widely at Zhongnan Hospital of Wuhan University for its therapeutic effects and high safety on triple-negative breast cancer (TNBC). Objective In this study, we employed ultra-high-performance liquid chromatography-quadrupole/orbitrap high-resolution mass spectrometry (UPLC-Q-Orbitrap-HRMS), network pharmacology, and experimental validation to elucidate the underlying action mechanism of YAFZF in the treatment of TNBC. Methods The key active ingredients in YAFZF were analyzed using UPLC-Q-Orbitrap-HRMS, and then the potential components, target genes and signalling pathways of YAFZF were predicted using the network pharmacological method. We then used molecular docking to visualize the combination characteristics between major active components and macromolecules in the crucial pathway. In vitro experiments were conducted to investigate the inhibitory effects of YAFZF treatment on the cell viability, invasion, and migration of 4T1 and MDA-MB-231 cells. The xenograft TNBC models were constructed using female Balb/c mice, and their body weights, tumour volumes, and weights were monitored during YAFZF treatment. Quantitative real-time PCR (qRT-PCR), Hematoxylin-eosin (HE), immunohistochemistry (IHC) staining, Western blot (WB), and terminal deoxynucleotidyl transferase (TdT)-dUTP nick-end labeling (TUNEL) staining were used for further experimental validation. Results Based on UPLC-Q-Orbitrap-HRMS and network pharmacology analysis, 6 major bioactive components and 153 intersecting genes were obtained for YAFZF against TNBC. Functional enrichment analysis identified that the phosphatidylinositol 3-kinase (PI3K)-protein kinase B (Akt) signalling pathway might be the mechanism of action of YAFZF in the treatment of TNBC. Molecular docking results suggested that the main active compounds in YAFZF had strong binding energies with the proteins in the PI3K/Akt pathway. In vitro experiments showed that YAFZF inhibited the cell viability, invasion, and migration abilities of TNBC cells. Animal experiments confirmed that YAFZF treatment suppressed tumour cell proliferation and increased apoptotic cells. PCR, HE, WB, and IHC results indicated that YAFZF could suppress xenograft tumour metastases by inhibiting the PI3K/AKT/mTOR pathway regulating the epithelial-mesenchymal transition (EMT) process. Conclusion YAFZF therapy showed its potential for reducing proliferation, invasion, and migration abilities, increasing apoptosis of TNBC cells. Furthermore, YAFZF treated TNBC by inhibiting xenograft tumour distant metastases via the regulation of EMT by the PI3K/Akt/mTOR pathway, suggesting that it may be useful as an adjuvant treatment.
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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.
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高影响因子
Food Bioscience
·
2024
·
IF 4.8
Hui-Bin Jiang,Pan Nie,Zi-Han Lin,Chuang Zhu,Ling-Yue Zhong,Fen-Fen Wei,Yan Wu,Li-Hua Song
Fermentation is a commonly used technique that can effectively enrich bioactive compounds, and further enhance the bioactivity of food. To effectively enrich polyphenols and flavonoids, the quinoa and black barley were co-fermented with Lactobacillus kisonensis in present study. The in vitro antioxidant bioactivities and inhibition rate on key enzymes related with glucose metabolism of the co-fermented cereals were evaluated; the secondary metabolites such as polyphenol and flavonoid were identified by UPLC-Q-TOF-MS E -untargeted metabolomics technique, and the KEGG (Kyoto Encyclopedia of Genes and Genomes) pathways were primarily analyzed. The results showed that the content of protein in the precipitate, as well as soluble and total dietary fiber, significantly increased ( p < 0.05) in the co-fermented quinoa with black barley compared to the fermentation of quinoa or black barley alone or to the un-fermentation groups. The total contents of polyphenol and flavonoid in the co-fermented grains were significantly increased by 55.65% and 25.90%, respectively, compared with the un-fermentation group ( p < 0.05). Elevated levels of polyphenol flavonoids, such as coumaric acid, (2R,3R)-Taxifolin7- O -α- l -rhamnopyranosyl-(1→6)-β- d -glucopyranoside and ferulic acid sodium, contributed to the significant improvement in in vitro bioactivities, such as antioxidant capacity and inhibitory activity on α-amylase and α-glucosidase. Correlation analysis revealed positive associations between 9 polyphenols and flavonoids in the supernatant and 12 in the precipitate with these in vitro bioactivities mentioned above. The enrichment of these metabolites is mainly involved in biosynthesis of flavonoid, anthocyanin, and phenylpropanoid. In summary, our study suggests that co-fermentation of quinoa and black barley is a promising approach to enhance the bioactivity of grains.
研究领域:
食品科学
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营养学
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生物化学
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微生物学
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代谢组学
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高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2019
·Vol. 20
·期 16
·3875
·
IF 4.183
Meng Pan,Qicheng Lei,Ning Zang,Hong Zhang
The discovery of medicinal plants is crucial for drug development.Eucalyptus globulusleaves are used as a traditional medicine in many areas of world due to herbicidal and insecticidal activity. While natural products are difficult to be separated and activity assayed, a new approach is needed to predict the active ingredients therein. In this study, a new method for screening active compounds extracted fromE. globulusleaves was developed by GC-MS/MS and UPLC-MS/MS combined with molecular docking technology. Predicted compounds with high activity were proposed. Firstly, 35 volatile compounds and 34 aqueous extracted compounds were extracted fromE. globulusleaves, and identified by GC-MS/MS and UPLC-MS/MS. The herbicidal receptor (1BX9) was then docked with the identified compounds by docking software, evaluated by docking models and seven scoring functions. The results showed that gallic acid had a strong inhibitory activity of 1BX9, which was speculated to be the main reason for the inhibitory effect ofE. globulusleaves. Finally, allelopathic tests of gallic acid, citric acid, and isopulegol were carried out on grass seeds to verify its inhibitory activity against herbicide receptor 1BX9. The results show that the method can screen compounds with specific activity from a complex system of medicinal plants, which is very important for the screening of new active ingredients, confirmation of new medicinal ingredients, and the in-depth development of animal and plant medicines.Keywords:Eucalyptus globulus;GC-MS/MS;UPLC-MS/MS;molecular docking;allelopathic test
研究领域:
植物化学
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药物开发
·
生物信息学
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2016
·
IF 3.169
Weiguo Liao,Jianye Yu,Zhonglin Guo,Wenqiang Ba,Ding Wang,Zhou Li,Wentao Fan,Fengyun Liao,Yinai Wu,Lisheng Wang
A rapid, sensitive and selective ultra-performance liquid chromatography tandem mass spectrometry (UPLC–MS/MS) method has been developed for the simultaneous determination and pharmacokinetic investigation of Tetramethylpyrazine (TMP) and Ferulic acid (FA) in rat striatum. The method was validated over the concentration range of 1.15–505 ng/mL for TMP and 3.23–101 ng/mL for FA, with a lower limit of quantitation (LLOQ) of 1.15 ng/mL and 3.23 ng/mL, respectively. This method can be successfully applied in pharmacokinetic studies of TMP and FA in striatum of awake and anesthetic rats. The cerebral blood flow velocity (CBF) during middle cerebral artery occlusion (MCAO) was monitored by Laser speckle contrast imaging, to observe whether the compatibility of TMP and FA could improve CBF against cerebral ischemia/reperfusion (I/R) injury. Infarct volume was examined to evaluate severity of ischemic brain injury. The pharmacokinetic study indicated that T 1/2, C max, MRT and AUC 0-inf were changed after combined administration of TMP and FA, when compared with either drug alone both in awake and anesthetic groups. The pharmacodynamics results showed that co-administration of drugs could enhance the CBF during middle cerebral artery occlusion and reduced the infarct volume. Taken together, the compatibility treatment of TMP and FA might be a promising therapeutic strategy for ischemic stroke. Further study is required to optimize the compatibility proportion.
研究领域:
药理学
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神经科学
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分析化学
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中风研究
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PubMed
高影响因子
Food Analytical Methods
·
2014
·Vol. 8
·期 5
·1124-1132
·
IF 1.802
Wu Xingqiang,Ge Xusheng,Liang Shuxuan,Lv Yunkai,Sun Hanwen
A novel analytical method is developed for effective separation and rapid simultaneous determination of anthraquinones in Tartary buckwheat by ultra-performance liquid chromatography coupled to a diode array detector (UPLC−DAD). A selective accelerated solvent extraction (SASE) procedure combines an accelerated solvent extraction (ASE) and cleanup in situ. SASE conditions were investigated and optimized in the details. Methanol/acetone (50:50, v / v ) was selected as solvent for the extraction, and silica gel was selected as sorbents for clean-up. The SASE procedure simplified further the entire sample preparation chain and achieved satisfactory results in the analyses of anthraquinones compared with traditional extraction methods. The effective separation of six anthraquinones from an extract of Tartary buckwheat on an Acquity BEH C 18 (2.1 mm × 50 mm, 1.7 μm) column using gradient elution was achieved within 7 min. Good linearity was achieved, with a correlation coefficient ( r
2 ) of ≥0.9998. The limit of detection (LOD) and the limit of quantification (LOQ) were in the range of 0.033–0.067 μg/mL and 0.1–0.2 μg/mL, respectively. Under the optimized conditions, good recovery (98.3–109 %) of the anthraquinones was achieved. The validated method is successfully applied to the quality assurance of the anthraquinones in Tartary buckwheat and its products.
研究领域:
分析化学
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食品科学
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植物化学
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高影响因子
Food & Function
·
2019
·Vol. 10
·期 10
·6484-6491
·
IF 3.241
Qiu Wu,Yan Zhao,Xiangnan Zhang,Xingbin Yang
Gut microbiota-dependent metabolites trimethylamine N-oxide (TMAO), trimethylamine (TMA) and dimethylamine (DMA) from dietary methylamines have recently gained much attention due to their high association with chronic kidney disease risk. Hence a simpler and faster performance liquid chromatography-tandem mass spectrometry method was developed and validated. The quantitative analysis was achieved within 6 min by using Agilent 6460C UPLC-MS/MS with 10% methyl alcohol isocratic elution and was more simple, convenient and rapid than that of previously reported methods. Furthermore, method verification results showed that the method correlation coefficient was 0.99978293, 0.99997514 and 0.98784721, and the detection limit was 0.121, 8.063 and 0.797 μg L−1, and the precision of the retention time and peak area of analytes was less than 0.331 and 3.280, respectively. The method was applied to simultaneously determine TMAO, TMA and DMA in the urine and serum from mice treated with normal, high L-carnitine, or high choline diet. Quantitative recoveries of TMAO, TMA and DMA were in the range of 94.2%–101.0%, and the RSD values were lower than 5.17%. The proposed UPLC-MS/MS-based assay should be of value for further evaluating TMAO as a risk marker and for examining the effect of dietary factors on TMAO metabolism.
研究领域:
分析化学
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生物化学
·
代谢组学
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PubMed
高影响因子
Food Science & Nutrition
·
2026
·Vol. 14
·期 7
·e72115
·
IF 5
Bin Li,Ruiyi Fan
Fingered citron ( Citrus medica L. var. sarcodactylis Swingle) is a medicinal and edible citrus fruit cultivated in several major production regions of China. However, comprehensive information on its regional metabolite variation and its chemical differentiation from chayote ( Sechium edule ), a botanically unrelated commodity that may be confused with fingered citron because of partially overlapping Chinese vernacular names, remains limited. In this study, untargeted UPLC‐Q‐Orbitrap MS/MS was used to profile fingered citron samples from Zhejiang (CF1), Sichuan (CF2), Guangdong/Guangxi (CF3), and Yunnan (CF4), together with chayote samples used as a targeted authentication comparator (CFM). A total of 380 metabolites were putatively annotated, including 47 secondary metabolites comprising 23 flavonoids, 8 terpenoids, 8 phenols, 3 coumarins, 3 alkaloids, and 2 steroids. Multivariate analyses and hierarchical clustering identified 65 differential metabolites, including 19 secondary metabolites, that clearly separated the five sample groups within the present dataset. The very high cross‐validated Q 2 values should nevertheless be interpreted cautiously because of the large taxonomic and metabolic distance between C. medica and S. edule and the limited sample size. The interspecific separation was therefore interpreted as an expected chemotaxonomic difference with practical authentication value, rather than as a comparison between biologically equivalent taxa. Phenylalanine metabolism and flavone and flavonol biosynthesis showed the strongest nominal enrichment, although neither remained significant after FDR correction. These results provide a metabolite reference for regional quality discrimination of fingered citron and identify candidate chemical features for its targeted authentication against chayote. Further validation using independent samples, additional production years, and other potential comparator commodities is required before routine application. Untargeted UPLC‐Q‐Orbitrap MS/MS metabolomics was used to profile fingered citron ( Citrus medica ) from four Chinese production regions (CF1–CF4) and chayote ( Sechium edule , CFM). Of 380 putatively annotated metabolites, 65 differential metabolites distinguished the five groups, clearly separating chayote from fingered citron and highlighting regional chemical variation among fingered citron cultivars.
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PubMed
高影响因子
RSC Advances
·
2026
·Vol. 16
·期 20
·18657-18665
·
IF 6.1
Lu Li,Na Li,Wendan Niu,Aijing Guo,Ling Ma,Wei Zhao,Yawei Zhang,Ke Wang
β-Lactams (β-LAs) are a class of widely used antibiotics. However, their residues in food may pose a threat to human health. Therefore, it is of great necessity to develop a method that can sensitively and effectively detect β-LAs at trace levels in complex matrices. In this study, a novel functionalized magnetic covalent organic framework was synthesized based on biphenyl-3,3′,5,5′-tetracarbaldehyde and p-phenylenediamine. This material was used as an adsorbent for the effective extraction of 9 β-LAs in water and milk samples, which were analyzed by ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). The experimental parameters were optimized, then the sensitive and accurate detection method was developed with excellent linearity (R2 ≥ 0.9990), low limits of detection (0.001–0.347 µg L−1) and limits of quantitation (0.002–1.051 µg L−1) for β-LAs. Meanwhile, good recoveries (71.7–118.8%) of 9 β-LAs in water and milk samples were obtained with the relative standard deviations (RSD) <10% (n = 5). In conclusion, Fe3O4@SiO2@Ap-COF can be regarded as an effective magnetic adsorbent, and the established method holds significant promise for rapid detection of 9 β-LAs in water and milk samples.
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PubMed
高影响因子
FOOD CHEMISTRY
·
2026
·
IF 10.4
Nan Deng,Hui Wang,Fangping Yin,Xiaobo Hu,Jijun Qin,Feifei Zhong,Ben Li,Wenting Cao,Peng Zhou
This study developed a rapid and sensitive ultra-performance liquid chromatography-tandem triple quadrupole mass spectrometry (UPLC-MS/MS) method to detect adulteration of high-value camellia oil and olive oil with lower-cost sesame, soybean, and peanut oils. Four characteristic markers-sesamin and sesamolin (sesame oil), 4′,7-dimethoxyisoflavone (soybean oil), and sativanone (peanut oil) were identified and quantified with high specificity. Method validation demonstrated excellent linearity ( r > 0.997), recoveries (70%–110%), and precision (RSD < 6.1%). The limits of detection were 0.025%–0.10% for sesame oil, 1.0%–5.0% for soybean oil and peanut oil. Adulteration model experiments and method comparison analysis confirmed reliable multi-component adulteration detection in complex matrices. Analysis of 106 commercial samples revealed adulteration rates of 16.0%(camellia oil) and 25.0%(olive oil), primarily with soybean oil. Notably, the analysis of two law enforcement samples confirmed adulteration with soybean oil, consistent with the official regulatory findings. This approach overcomes limitations of traditional methods, offering a robust tool for safeguarding oil authenticity and consumers' rights.
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PubMed
高影响因子
CYTOTECHNOLOGY
·
2026
·Vol. 78
·期 3
·122
·
IF 2.2
Yang KaiYu,Li QingSong
To systematically characterize the chemical constituents and serum metabolites of Qijingmingmu decoction (QJMM) and to explore its potential anti-aging mechanisms using an integrated strategy combining UPLC-Q-TOF-MS and network pharmacology. The chemical components of QJMM were identified using UPLC-Q-TOF-MS. Rats were administered QJMM at different doses, and serum samples were collected for metabolite profiling. The absorbed prototype components and metabolites were analyzed. Potential targets of QJMM were predicted using public databases, and protein–protein interaction (PPI) analysis, Gene Ontology (GO), and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed. A total of 66 compounds were identified in QJMM, and 38 metabolites were detected in rat serum, including both prototype compounds and their transformed products. Several representative metabolites, such as dihydroferulic acid 4-O-glucuronide, ferulic acid sulfate, and wedelolactone glucuronide, were identified as key in vivo components. Network pharmacology analysis suggested that QJMM may exert anti-aging effects by regulating multiple targets, including RELA, ESR1, TNF, and HSP90AB1, and modulating signaling pathways such as the NF-κB, TNF, and HIF-1 pathways. This study provides a preliminary characterization of the chemical and metabolic profiles of QJMM and offers insights into its potential multi-target mechanisms underlying anti-aging effects.
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PubMed
高影响因子
危险品化学品经营许可证（带存储）