APPLIED SURFACE SCIENCE
·
2022
·
IF 7.392
Shuiping Tang,Xiaohuan Qin,Yuanxia Lv,Kun Hu,Shulin Zhao
In this work, according to the structure of three perfluoroalkyl sulfonates (PFASs) (perfluorobutylenesulfonic acid (PFBS), perfluorohexanesulfonic acid (PFHxS), and perfluorooctylsulfonic acid (PFOS)) and the property of a medium, we synthesized good-compatibility and stable cationic covalent-organic frameworks (C-COFs). They were used as adsorbents to absorb and detect analytes with matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). The structures of the C-COFs were characterized. Enrichment parameters, including adsorbent amount, enrichment time, pH, and type and volume of dispersion solution, were optimized to achieve the best enrichment efficiency. After the enrichment, the loaded C-COFs were directly analyzed by MALDI-TOF MS. The results indicated that the C-COFs had a high surface area (1105 m 2 /g) and microporous structure (1.1 nm); they are rapid and highly efficient for tested PFASs adsorption. The equilibrium adsorption capacity of the C-COFs for PFBS was 334.46 mg g −1 . Further, the detection limit for PFBS, PFHxS, and PFOS was 0.001, 0.01, and 0.3 ng mL −1 , respectively. Moreover, adsorption and ionization mechanism was discussed. Owing to high selectivity and sensitivity, high adsorption performance, good reproducibility, and satisfactory recoveries, the method was successfully applied to detect PFASs in a real sample.
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高影响因子
Chinese Herbal Medicines
·
2022
·
IF 0
Xia Gao,Jiajia Wang,Xialin Chen,Shanli Wang,Chaojie Huang,Quanchang Zhang,Liang Cao,Zhenzhong Wang,Wei Xiao
Objective To elucidate the anti-inflammatory mechanism of Reduning Injection (RDN) by analyzing the potential biomarkers and metabolic pathways of the carrageenan-induced inflammatory model from the overall metabolic level. Methods Rat inflammatory model was established by carrageenan. UPLC-Q-TOF/MS was used to detect and analyze changes of endogenous metabolites in the serum and urine of carrageenan-induced inflammatory rats. Combined with multivariate analysis and databases analysis, inflammatory-related potential biomarkers were screened and identified to analyze possible metabolic pathways. The reliability and biological significance of these biomarkers was verified by metabolic network analysis and correlation analysis with pharmacodynamic indicators. Results A total of 16 potential biomarkers were screened and identified by multivariate analysis and metabolite databases, among which 13 species could be adjusted by RDN. The metabolism pathway analysis revealed that histidine metabolism, sphingolipid metabolism, and tyrosine metabolism were greatly disturbed. Their biomarkers involved urocanic acid, sphingosine, and norepinephrine, all of which showed a callback trend after RDN treatment. The three biomarkers had a certain correlation with some known inflammatory-related small molecules (histamine, arachidonic acid, Leukotriene B4, and PGE 2 ) and pharmacodynamic indicators (IL-6, IL-1β, PGE 2 and TNF-α), which indicated that the selected biomarkers had certain reliability and biological significance. Conclusion RDN has a good regulation of the metabolic disorder of endogenous components in carrageenan-induced inflammatory rats. And its anti-inflammatory mechanism is mainly related to the regulation of amino acid and lipid metabolism. This research method is conducive to the interpretation of the overall pharmacological mechanism of Chinese medicine.
研究领域:
药理学
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炎症研究
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代谢组学
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中药
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DOI
JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2022
·
IF 9.965
Zhongzheng Zhang,Jialin Shi,Tianyang Zhu,Lina Zhang,Wei Wei
Fabrication of efficient heterogeneous catalysts with high turnover frequency (TOF) is intriguing for rapid and scalable CO 2 conversion under mild conditions, but it still faces some challenges due to use of some bulky and irregular supports causing inaccessible inner pores and insufficient utilization of active sites. Herein, using a unique nitrogen-doped mesoporous single-crystal carbon (named IRFC) as a host for loading Ag nanoparticles for the first time, a series of Ag/IRFC catalysts with high TOF (8.7–22.3 h −1 ) were facilely prepared by a novel “impregnation and in-situ reduction” strategy. The neat morphology and high porosity of IRFC with abundant N species, providing homogeneous surface, adequate space and anchoring sites for Ag immobilization, greatly facilitated the formation of highly-distributed ultrasmall Ag nanoparticles (2.3 nm). Meanwhile, smooth and short diffusion pathways were inherited from the ordered mesopores and small particle sizes of IRFC. Owing to these unparalleled structural features, the Ag/IRFC catalysts exhibited excellent catalytic activity, stability, and generality for mild CO 2 conversion even under diluted conditions. This work not only presents a novel catalyst for mild CO 2 conversion, but also brings some inspirations to designing highly efficient catalysts using well-shaped supporting nanomaterials for direct utilization of low-concentration CO 2 , such as flue gas.
研究领域:
催化
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材料科学
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环境化学
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高影响因子
Analytical Science Advances
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2025
·Vol. 6
·期 2
·e70037
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IF 4.1
Dan-ping Liu,Bi-cheng Yang,Qiao-yun Huang,Ping Liu,Hai-yan Luo,Mao-lin Yu,Jian-qiong Yang,An Jia,Yan-qiu Liu,Lin Xu,Bin Hu,Ting Huang
In this work, we developed a matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) method to directly analyze human whole blood samples. 1.0 µL of whole blood samples and 1.0 µL of optimized organic matrix were directly loaded onto the sample plates for MALDI-TOF-MS detection. A total of 59 whole blood samples were investigated in this work, including 23 healthy control samples, 28 α-globin gene triplication carriers with α-chain repetition, and eight deletional hemoglobin H disease (HbH) patients with α-chain deficiency. Human hemoglobin (Hb) chains with high signal-to-noise were directly observed. It is found that there is a change in signal ratios of α/β-chains of Hb from blood samples in thalassemia subtypes by comparing the ratios obtained from healthy blood samples. Analytical variability ( n = 6) of signal ratios of α/β-chains was found to be 3.33%–12.86% (intra-day), 4.02%–13.39% (inter-day), and 6.41%–15.32% (inter-laboratory), respectively. Furthermore, the results were validated using different MALDI-TOF MS approaches. Our results suggest that α/β-chains ratios of Hb could be an indicator for investigating thalassemia by MALDI-TOF-MS.
研究领域:
质谱分析
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临床化学
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血液学
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遗传学
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蛋白质组学
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DOI
PubMed
高影响因子
Small
·
2024
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IF 13
Saima Ashraf,Yanyan Liu,Shuling Liu,Sehrish Mehdi,Huanhuan Zhang,Ruofan Shen,Xianji Guo,Xianli Wu,Jianchun Jiang,Yongfeng Wang,Baojun Li
Palladium-based catalysts are remarkable in endorsing hydrogen (H 2 ) generation through formic acid (HCOOH, FA) dehydrogenation under near-ambient conditions. Hydrogen energy efficiency depends on high-performance catalyst design. In this study, Pd-Cu nanoalloy catalysts with mutable atomic ratios are successfully fabricated on TiO 2 nanosheets (TiO 2 -NSs).The synergistic electronic interactions between Palladium (Pd) and copper (Cu) are revealed through a density of states (DOS) analysis of alloy supported over a mixed valence state of Ti linked to oxygen vacancies (Vo) in TiO 2 -NSs, Enhanced adsorption of target molecules reveals novel active sites for Formic acid dehydrogenation (FAD), with O─H bond cleavage via HCOO formate intermediate preceding C─H and C─O bond cleavage. Experimental and theoretical research demonstrates that the Pd-Cu/TiO 2 -NSs (3:7) catalyst d electron redistribution and d-band center shift lower the activation energy for O─H bond cleavage, exhibit superior H 2 production than pure Pd and Cu, increasing Pd electron density due to synergistic effects from reactive crystal facets, defects, and strong metal support interactions (SMSI), lowering the activation energy for HCOOH dissociation step, generating carbon dioxide (CO 2 ) and H 2 with a unprecedented high turnover frequency (TOF) of 6268 mol H2 .h −1 .molPd −1 at 303K with activation energy ( E a ) of 15 KJ mol −1 . This attempt models an efficient HCOOH-to-hydrogen catalyst.
研究领域:
催化
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材料科学
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化学工程
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能源科学
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DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
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2016
·
IF 3.958
Huan Chen,Ting Li,Fang Jiang,Zhe Wang
Catalytic reduction of N -nitrosodimethylamine (NDMA) was investigated over γ-Al 2 O 3 supported bimetallic Pd-Ni catalysts (3%(Pd x Ni 1−x )). NDMA could be reduced to dimethylamine over 3%(Pd 0.8 Ni 0.2 ) with a metal-loading-normalized pseudo-first-order rate constant of 836 ± 21 L g me −1 h −1 . Characterization results showed that the reducibility of PdO (or NiO) was improved by addition of Ni (or Pd) in 3%(Pd x Ni 1−x ); Pd-Ni ensembles were formed in 3%(Pd x Ni 1−x ) and there was an electronic transfer from Pd to Ni; metal dispersion was affected by the formation of Pd-Ni ensembles and a volcano curve of metal dispersion via Pd/Ni ratio was observed. The activity profiles demonstrated that TOF had a significant positive relationship with metal dispersion of 3%(Pd x Ni 1−x ), indicating high metal dispersion favor NDMA reduction. NDMA reduction over 3%(Pd 0.8 Ni 0.2 ) catalyst could be described by Langmuir-Hinshelwood model, reflecting an adsorption controlled reduction mechanism. The reduction mechanism of NDMA over 3%(Pd 0.8 Ni 0.2 ) catalyst was proposed to be that H 2 was activated by Pd, and H spillover from Pd to Ni/NiO reduced NDMA though N-N cleavage.
研究领域:
环境科学
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化学工程
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催化
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DOI
高影响因子
FOOD CHEMISTRY
·
2025
·
IF 9.8
Baoqing Bai,Junnan Li,Ziqing Zhang,Ying Zhang,Tao Bo,Jinhua Zhang,Ligang Yu,Sanhong Fan,Yukun Yang
This study characterized the flavor profile of Huangjiu brewed with Polygonatum sibiricum and Broomcorn millet (HJMHJ) using headspace solid phase microextraction-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (HS-SPME-GC × GC-TOF-MS), gas chromatography-ion mobility spectrometry (GC-IMS) and intelligent sensory technologies. The results identified six volatile compounds (isobutyric acid, dibutyl phthalate, α-terpineol, β-damascenone, 2-pentyl-furan and γ-nonalactone) as the key aroma compounds. Metabolic network analysis revealed that glycolysis plays a crucial role in Huangjiu metabolism. Ultra-fast gas-phase electronic nose (UF-GC-E-nose) demonstrated a strong association between HJMHJ and acetoin, while electronic-tongue (E-tongue) indicated that HJMHJ exhibited the highest response to freshness, the lowest to sweetness and an intermediate to bitterness. Molecular docking showed that OR1A1 exhibits the strongest binding energy (−8.1 kcal/mol) to β-damascenone through hydrogen bonding and hydrophobic interactions. This study provides theoretical support for the incorporation of herbs into Huangjiu production.
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PubMed
高影响因子
FITOTERAPIA
·
2025
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IF 2.6
Wenjing Ren,Yue Zhou,Jiahui Zhao,Xiutong Ge,Shiru Jiang,Yang Chen,Gui Xu,Shuo Zhang,Li Li,Ji Shi,Fan Zhang
Songaria Cynomorium Herb (SCH), a traditional Chinese medicinal herb, is recognized for its dual role as both a dietary supplement and a therapeutic agent. It is traditionally reputed to have kidney-tonifying and Yang-strengthening effects, which have made it a common ingredient in nutritious food supplements and health products. This study investigates the underlying mechanisms by which wine-steamed SCH, enhances kidney aphrodisiac qualities, focusing on the tyrosine kinase/signal transduction and transcriptional activation factor (JAK/STAT) signaling pathway. Ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was employed to qualitatively analyze the chemical constituents of SCH both before and after the wine-steaming process, and the significant differential components were screened out. A kidney-Yang deficiency model was induced by intragastric administration of hydrocortisone. Subsequently, the rats were treated with either raw SCH (RSCH) or wine-steamed SCH (WSCH) medicinal solutions. Urine output, organ indices, target gland axis-related indices, and renal tissue lesions were recorded and statistically compared between the treatment and control groups. RT-qPCR and Western blot analysis were utilized to assess the mRNA and protein expression levels of the JAK/STAT pathway and HIF-1α in the renal tissues of the animals. The results indicated that the chemical composition of the SCH underwent changes before and after the steaming process. The tonifying effects observed were more pronounced with WSCH than with RSCH, suggesting that the mechanism involves the inhibition of the JAK/STAT pathway and the downregulation of HIF-1α expression.
研究领域:
中药学
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分子生物学
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药理学
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DOI
PubMed
高影响因子
BMC Complementary Medicine and Therapies
·
2023
·Vol. 23
·期 1
·1-17
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IF 3.9
Chen Tong,Hu Jingbo,Wang Huan,Tan Nana,Qi Jianzhao,Wang Xiaoling,Wang Le
Background Artemisiae Scopariae Herba (ASH) has been widely used as plant medicine in East Asia with remarkable antitumor activity. However, the underlying mechanisms have not been fully elucidated.
Methods This study aimed to construct a multi-disciplinary approach to screen topoisomerase I (topo I) inhibitors from ASH extract, and explore the antitumor mechanisms. Bioaffinity ultrafiltration-UFLC-ESI-Q/TOF-MS/MS was used to identify chemical constitution of ASH extract as well as the topo I inhibitors, and in silico docking coupled with multiple complex networks was applied to interpret the molecular mechanisms.
Results Crude ASH extract exhibited toxicogenetic and antiproliferative activities on A549 cells. A series of 34 ingredients were identified from the extract, and 6 compounds were screened as potential topo I inhibitors. Docking results showed that the formation of hydrogen bond and π-π stacking contributed most to their binding with topo I. Interrelationships among the 6 compounds, related targets and pathways were analyzed by multiple complex networks model. These networks displayed power-law degree distribution and small-world property. Statistical analysis indicated that isorhamnetin and quercetin were main active ingredients, and that chemical carcinogenesis-reactive oxygen species was the critical pathway. Electrophoretic results showed a therapeutic effect of ASH extract on the conversion of supercoiled DNA to relaxed forms, as well as potential synergistic effect of isorhamnetin and quercetin. Conclusions The results improved current understanding of Artemisiae Scopariae Herba on the treatment of tumor. Moreover, the combination of multi-disciplinary methods provided a new strategy for the study of bioactive constituents in medicinal plants.
研究领域:
中药学
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生物信息学
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药理学
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PubMed
高影响因子
TALANTA
·
2018
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IF 4.244
Zhihong Li,Xiaomin Guo,Zhonglian Cao,Xiujie Liu,Xueling Liao,Chao Huang,Wenqi Xu,Li Liu,Ping Yang
Ultra-high-performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) has recently been widely used in qualitative analyses of traditional Chinese medicine (TCM) prescriptions. However, a poor understanding of detected mass spectral data has rendered data processing difficult and time-consuming. Efficient and widespread data analysis methods focused on identifying both phytochemical compounds and metabolites of TCM prescriptions have rarely been described. In this study, a new MS network analysis pattern that uses model drug Lishukang (LSK) capsules to accelerate the data processing of TCM preparations is developed. The MS network analysis pattern integrates intrinsic structural correlations of phytochemical compounds and structural information derived from mass spectrometry to identify the same types of compounds from a raw data stream. As a result, five MS networks of flavones and flavone glycosides , alkaloids, phenolic acids, saponins and benzylester glucosides in LSK are preliminarily established. 278 compounds, including 9 potential novel compounds are identified or tentatively assigned based on MS networks. Furthermore, 57 potential metabolites of LSK are identified in rat plasma, and potential metabolic pathways are investigated under the guidance of MS networks in vitro. The MS network analysis pattern serves as an integral solution for identifying phytochemical compounds and metabolites of TCM prescriptions. The investigations of LSK also provide essential data for its further study.
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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DOI
PubMed
高影响因子
PHYTOMEDICINE
·
2020
·
IF 4.268
Huan Wu,Lina Wang,Xiang Zhan,Bin Wang,Jiawen Wu,An Zhou
ABSTRACT Background Compound Kushen Injection (CKI), a well-known Chinese Medicine preparation, has been used to treat non-small cell lung cancer (NSCLC) for more than 15 years, and its clinical curative effect is considered to be beneficial. Hypothesis/Purpose This study was designed to evaluate the effects and underlying mechanisms of CKI against NSCLC using an ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS)-based plasma metabolomics approach. Methods 4′,6-diamidino-2-phenylindole (DAPI) staining and 3-(4,5-dimethyl-thiazol-2-yl)-2,5-diphenyl-tetrazolium bromide (MTT) dye reduction assay were employed to assess apoptosis and the viability of A549 cells with and without CKI treatment . The weight/volume of Lewis lung carcinoma (LLC) sarcomas and histopathological examinations were used to evaluate the anti-tumor effects of CKI against NSCLC. A UPLC-Q-TOF/MS method combined with multivariate data analysis was developed to characterize metabolomic fingerprinting and to screen functional biomarkers that are linked to the CKI treatment of LLC mice, and then metabolic pathway analysis was used to investigate the therapeutic mechanism of CKI. Results DAPI staining and MTT dye reduction assays indicated that CKI-induced apoptosis and inhibited the proliferation of A549 cells, respectively, in a concentration-dependent manner. The sarcoma volumes and weights in LLC tumor-bearing mice in CKI-dosed groups were significantly lower than those in a model group, which was treated with physiological saline. Histopathological analysis of sections of sarcomas and left pulmonary lobes indicated that CKI exerts an ameliorative effect against LLC. Fourteen functional biomarkers that are related to the therapeutic effects of CKI on LLC were screened and identified using a metabolomics study. Analysis of metabolic pathways revealed that the therapeutic effects of CKI on LLC mainly involved glycerophospholipid metabolism, amino acid metabolism and sphingolipid metabolism. As glycerophospholipid metabolism is a crucial feature of cancer-specific metabolism, the enzymes that are involved in 1-acyl-sn-glycero-3-phosphoinositol biosynthesis were further evaluated. Western blotting results indicated that CKI modulated the abnormal biosynthesis pathway of 1-acyl-sn-glycero-3-phosphoinositol by activation of cytidine diphosphate-diacylglycerol-inositol 3-phosphatidyltransferase (CDIPT) and cytosolic phospholipase A2 (cPLA2), and by inhibition of lysophosphatidic acid acyltransferase gamma (AGPAT3). Conclusion This study demonstrated that CKI has a favorable anti-tumor effect and that a UPLC-Q-TOF/MS-based metabolomics method in conjunction with further verifications at the biochemical level is a promising approach for investigating its underlying mechanisms.
研究领域:
肿瘤学
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药理学
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代谢组学
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癌症生物学
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DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
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.
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PubMed
高影响因子
危险品化学品经营许可证（带存储）