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1.
Small ; 20(1): e2305161, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-37641192

RESUMEN

Single-atom catalysts (SACs) are promising cathode materials for addressing issues faced by lithium-sulfur batteries. Considering the ample chemical space of SACs, high-throughput calculations are efficient strategies for their rational design. However, the high throughput calculations are impeded by the time-consuming determination of the decomposition barrier (Eb ) of Li2 S. In this study, the effects of bond formation and breakage on the kinetics of SAC-catalyzed Li2 S decomposition with g-C3 N4 as the substrate are clarified. Furthermore, a new efficient and easily-obtained descriptor Li─S─Li angle (ALi─S─Li ) of adsorbed Li2 S, different from the widely accepted thermodynamic data for predicting Eb , which breaks the well-known Brønsted-Evans-Polanyi relationship, is identified. Under the guidance of ALi─S─Li , several superior SACs with d- and p-block metal centers supported by g-C3 N4 are screened to accelerate the sulfur redox reaction and fix the soluble lithium polysulfides. The newly identified descriptor of ALi─S─Li can be extended to rationally design SACs for Na─S batteries. This study opens a new pathway for tuning the performance of SACs to catalyze the decomposition of X2 S (X = Li, Na, and K) and thus accelerate the design of SACs for alkaline-chalcogenide batteries.

2.
Langmuir ; 40(9): 4953-4965, 2024 Mar 05.
Artículo en Inglés | MEDLINE | ID: mdl-38377576

RESUMEN

The preparation of catalysts with heterojunction structures is a strategy to achieve efficient charge separation and high photocatalytic activity of photocatalysts. In this work, BiPO4/KNbO3 heterostructure photocatalysts were fabricated by a combination of hydrothermal and precipitation methods and subsequently employed in catalyzing N2-to-NH3 conversion and RhB degradation under light illumination. Morphological analysis revealed the effective dispersion of BiPO4 on KNbO3 nanocubes. Band structure analysis suggests that KNbO3 and BiPO4 exhibit suitable band potentials to form an S-scheme heterojunction. Under the joint action of the built-in electric field at the interface, energy band bending, and Coulomb attraction force, photogenerated electrons and holes with low redox performance are consumed, while those with high redox performance are effectively spatially separated. Consequently, the BiPO4/KNbO3 shows enhanced photocatalytic activity. The NH3 production rate of the optimal sample is 2.6 and 5.8 times higher than that of KNbO3 and BiPO4, respectively. The enhanced photoactivity of BiPO4/KNbO3 is also observed in the photocatalytic degradation of RhB. This study offers valuable insights for the design and preparation of S-scheme heterojunction photocatalysts.

3.
Ther Drug Monit ; 46(1): 89-94, 2024 02 01.
Artículo en Inglés | MEDLINE | ID: mdl-38192036

RESUMEN

BACKGROUND: This study aimed to identify the factors that influence voriconazole (VCZ) plasma concentrations and optimize the doses of VCZ in patients with end-stage liver disease (ESLD). METHODS: Patients with ESLD who received a VCZ maintenance dose of 100 mg twice daily (group A, n = 57) or the VCZ maintenance dose of 50 mg twice daily (group B, n = 37), orally or intravenously, were enrolled in this study. Trough plasma concentrations (Cmin) of VCZ between 1 and 5 mg/L were considered within the therapeutic target range. RESULTS: The VCZ Cmin was determined in 94 patients with ESLD. The VCZ Cmin of patients in group A was remarkably higher than those in group B (4.85 ± 2.53 mg/L vs 2.75 ± 1.40 mg/L; P < 0.001). Compared with group A, fewer patients in group B had VCZ Cmin outside the therapeutic target (23/57 vs. 6/37, P = 0.021). Univariate and multivariate analyses suggested that both body weight and Model for End-Stage Liver Disease scores were closely associated with the VCZ Cmin in group B. CONCLUSIONS: These data indicate that dose optimization based on body weight and Model for End-Stage Liver Disease scores is required to strike an efficacy-safety balance during VCZ treatment in patients with ESLD.


Asunto(s)
Enfermedad Hepática en Estado Terminal , Humanos , Enfermedad Hepática en Estado Terminal/tratamiento farmacológico , Monitoreo de Drogas , Voriconazol/uso terapéutico , Índice de Severidad de la Enfermedad , Peso Corporal
4.
Phys Chem Chem Phys ; 26(7): 5858-5867, 2024 Feb 14.
Artículo en Inglés | MEDLINE | ID: mdl-38305023

RESUMEN

Lithium-sulfur (Li-S) batteries are considered as one of the promising next-generation energy storage devices due to their characteristics of high energy density and low cost. However, the shuttle effect and sluggish conversion of lithium polysulfide (LiPs) have hindered their commercial applications. To address these issues, in our previous works, we have screened several highly efficient single atom catalysts (SACs) (MN4@G, M = V, Mo and W) with atomically dispersed transition metal atoms supported by nitrogen doped graphene based on high throughput calculations. Nevertheless, they still suffer from low loading of metal centers and unsatisfactory capability for accelerating the reaction kinetics. To tackle such problems, based on first-principles calculations, we systematically investigated the heterointerface effect on the catalytic performance of such three MN4@G toward sulfur conversion upon forming heterostructures with 5 typical two-dimensional materials of TiS2, C3N4, BN, graphene and reduced graphene oxide. Guided by efficient descriptors proposed in our previous work, we screened VN4@G/TiS2, MoN4@G/TiS2 and WN4@G/TiS2 possessing low Li2S decomposition barriers of 0.54, 0.44 and 0.41 eV, respectively. They also possess enhanced capabilities for catalyzing the sulfur reduction reaction as well as stabilizing soluble LiPs. More interestingly, the heterointerface can enhance the capability of the carbon atoms far away from the metal centers for trapping LiPs. This work shows that introducing a heterointerface is a promising strategy to boost the performance of SACs in Li-S batteries.

5.
J Environ Manage ; 370: 122776, 2024 Oct 01.
Artículo en Inglés | MEDLINE | ID: mdl-39357442

RESUMEN

With the increasing demand for effective methods to address environmental pollution, piezocatalysis has emerged as a promising approach for pollutant degradation under mechanical energy. However, the development of highly efficient piezocatalytic materials remains a challenge. This study aimed to increase the piezocatalytic activity of bismuth titanate (Bi4Ti3O12) by modifying it with zinc stannate (ZnSnO3) nanocubes. The composite catalysts were synthesized using a straightforward deposition and calcination process. The calcination process ensured the tight adhesion of ZnSnO3 nanocubes to the Bi4Ti3O12 surface, while facilitating strong interactions between ZnSnO3 and Bi4Ti3O12, which enhanced electron transfer and heterojunction structure formation. Band structure analysis indicated that Bi4Ti3O12 has higher conduction band and valence band potentials than ZnSnO3, forming a type-II heterojunction. Bi4Ti3O12 possesses a higher Fermi level than ZnSnO3, resulting in interfacial electron drift and formation of a built-in electric field, which further promotes the directional transfer and separation efficiency of charge carriers within the composite catalyst. This hypothesis was confirmed by surface photovoltage spectroscopy, piezoelectric current response, and electrochemical analysis. Consequently, the ZnSnO3/Bi4Ti3O12 composite exhibited significantly improved piezocatalytic performance in RhB degradation, achieving a degradation efficiency of 80 % within 90 min under ultrasonic vibration. The degradation rate of the optimal sample was 8.2 times that of Bi4Ti3O12 and 6.3 times that of ZnSnO3. Additionally, experiments to detect reactive species were conducted to elucidate the mechanism behind the piezocatalytic RhB degradation. Holes and hydroxyl radicals were the main reactive species. This study may offer new insights into the design of efficient piezocatalytic materials.

6.
Zhong Nan Da Xue Xue Bao Yi Xue Ban ; 49(6): 903-913, 2024 Jun 28.
Artículo en Inglés, Zh | MEDLINE | ID: mdl-39311786

RESUMEN

OBJECTIVES: Hepatic fibrosis is a common pathological basis for many chronic liver diseases and can progress to cirrhosis, a leading cause of mortality in liver diseases. Early identification and reversal of hepatic fibrosis are key in the treatment of chronic liver disease. This study aims to compare the expression levels of serum core fucosylated low molecular weight kininogen (LMWK-Fc) and alpha-galactosylated (α-Gal) antibodies in patients with hepatic fibrosis at different stages, and to evaluate their diagnostic efficacy for hepatic fibrosis. METHODS: A retrospective analysis was conducted on 275 patients with chronic liver disease who visited the Department of Infectious Diseases at the Second Xiangya Hospital of Central South University between June 2022 and March 2023. Among these, 115 patients underwent liver biopsy. Based on the extent of collagen deposition and its impact on liver structure and microcirculation, patients were staged from 0 to 4: S0 (no significant collagen deposition in liver tissues; liver structure and microcirculation are normal), S1 (mild collagen deposition in liver tissues, with partial disruption of lobule structure, but microcirculation remains largely normal), S2 (moderate collagen deposition in liver tissues, with partial disruption of lobule structure and microcirculation), S3 (extensive collagen deposition in liver tissues, with substantial disruption of lobule structure and microcirculation), and S4 (development of cirrhosis, with heavy collagen deposition, complete disruption of lobule structure, and severe impairment of microcirculation). Patients were grouped as no fibrosis (S0), fibrosis (S1-S2), and significant fibrosis (S3-S4). For the 160 patients without liver biopsy, they were categorized based on liver stiffness measurement (LSM) value: no fibrosis (F0: LSM<7.3 kPa), fibrosis (F1-F2: LSM 7.3-12.4 kPa), and significant fibrosis (F3-F4: LSM>12.4 kPa). Demographic data (age, gender) and laboratory indicators (alanine transaminase, aspartate transaminase, gamma-glutamyl transferase, alkaline phosphatase, alpha-fetoprotein, platelet count) were collected to calculate the fibrosis-4 index (FIB-4) and aspartate aminotransferase-to-platelet ratio index (APRI). Serum LMWK-Fc and α-Gal antibodies were measured and compared across the groups, and their correlation with fibrosis severity was analyzed. The receiver operating characteristic (ROC) curve was used to assess the predictive value of serum LMWK-Fc and α-Gal antibody levels for hepatic fibrosis. RESULTS: Among the 160 patients without complete liver biopsy, serum α-Gal antibody and LMWK-Fc levels increased progressively from the no fibrosis group to the significant fibrosis group, with statistically significant differences (P<0.05). Among the 115 patients with liver biopsy, serum LMWK-Fc levels were significantly higher in the fibrosis group and the significant fibrosis groups compared with the no fibrosis group, and α-Gal antibody levels were significantly higher in the significant fibrosis group compared with the no fibrosis group and the fibrosis group (P<0.001, P=0.032, respectively). Univariate and multivariate linear regression analyses showed that hepatic fibrosis was correlated with gender and LMWK-Fc levels (both P<0.05), but not with age, α-Gal antibody levels, FIB-4, or APRI (all P>0.05). CONCLUSIONS: The expression levels of serum LMWK-Fc and α-Gal antibodies vary across different stages of hepatic fibrosis, suggesting a potential association with fibrosis progression. LMWK-Fc levels have a certain predictive value for the diagnosis of hepatic fibrosis.


Asunto(s)
Cirrosis Hepática , Humanos , Estudios Retrospectivos , Hígado/patología , Femenino , Masculino , Fucosa/metabolismo , Galactosa , Persona de Mediana Edad , Adulto , Valor Predictivo de las Pruebas , Anticuerpos/sangre , Quininógenos
7.
Langmuir ; 39(37): 13267-13278, 2023 Sep 19.
Artículo en Inglés | MEDLINE | ID: mdl-37672746

RESUMEN

In this study, NaNbO3 microcubes were introduced during the preparation of Bi2O2CO3 nanosheets to construct a series of NaNbO3/Bi2O2CO3 heterojunctions with varying NaNbO3 content. Their photoactivities for N2 fixation were examined and compared. Results demonstrated that 7.5% NaNbO3/Bi2O2CO3 had the highest photoactivity. The NH3 production rate under simulated solar light is 453.1 µmol L-1 g-1 h-1, representing 2.0 and 3.8-fold increases compared to those of Bi2O2CO3 and NaNbO3, respectively. A comprehensive investigation encompassing the physical and chemical properties of the NaNbO3/Bi2O2CO3 photocatalyst was conducted. Bi2O2CO3 nanosheets were discovered to be distributed on the NaNbO3 microcubes surface. The addition of NaNbO3 exhibited nearly no effect on the photoabsorption performance and specific surface area of the Bi2O2CO3. However, the tight contact between NaNbO3 and Bi2O2CO3 and their appropriate band positions led to the formation of a heterojunction structure between them. The electron drift occurring in the interface region induces the creation of an internal electric field and energy band bending. This facilitates the transfer of photogenerated electrons and holes through an S-scheme mechanism, achieving efficient separation without compromising the redox performance. As a result, the NaNbO3/Bi2O2CO3 composite exhibits exceptional performance in the photocatalytic nitrogen fixation reaction. This study expands the application of S-scheme photocatalysts in the field of N2 reduction and provides insights into the preparation of efficient S-scheme photocatalysts.

8.
Zhongguo Zhong Yao Za Zhi ; 48(16): 4421-4428, 2023 Aug.
Artículo en Zh | MEDLINE | ID: mdl-37802868

RESUMEN

This study aimed to provide scientific evidence for predicting quality markers(Q-markers) of Elephantopus scaber by establishing UPLC fingerprint of E. scaber from different geographical origins and determining the content of 13 major components, as well as conducting in vitro anti-cancer activity investigation of the main components. The chromatographic column used was Waters CORTECS UPLC C_(18)(2.1 mm×150 mm, 1.6 µm), and the mobile phase consisted of acetonitrile and 0.1% formic acid solution(gradient elution). The column temperature was set at 30 ℃, and the flow rate was 0.2 mL·min~(-1). The injection volume was 1 µL, and the detection wavelength was 240 nm. The UPLC fingerprint of E. scaber was fitted using the Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine(2012 edition) to determine common peaks, evaluate similarity, identify and determine the content of major components. The CCK-8 assay was used to explore the inhibitory effect of the main components on the proliferation of lung cancer cells. The results showed that in the established UPLC fingerprint of E. scaber, 35 common peaks were identified. Thirteen major components, including neochlorogenic acid(peak 1), chlorogenic acid(peak 2), cryptochlorogenic acid(peak 3), caffeic acid(peak 4), schaftoside(peak 6), galuteolin(peak 9), isochlorogenic acid B(peak 10), isochlorogenic acid A(peak 12), isochlorogenic acid C(peak 18), deoxyelephantopin(peak 28), isodeoxyelephantopin(peak 29), isoscabertopin(peak 31), and scabertopin(peak 32) were identified and quantified, and a quantitative analysis method was established. The results of the in vitro anti-cancer activity study showed that deoxyelephantopin, isodeoxyelephantopin, isoscabertopin, and scabertopin in E. scaber exhibited inhibition rates of lung cancer cell proliferation exceeding 80% at a concentration of 10 µmol·L~(-1), higher than the positive drug paclitaxel. These results indicate that the fingerprint of E. scaber is highly characteristic, and the quantitative analysis method is accurate and stable, providing references for the research on quality standards of E. scaber. Four sesquiterpene lactones in E. scaber show significant anti-cancer activity and can serve as Q-markers for E. scaber.


Asunto(s)
Asteraceae , Medicamentos Herbarios Chinos , Neoplasias Pulmonares , Humanos , Cromatografía Líquida de Alta Presión , Medicamentos Herbarios Chinos/química , Asteraceae/química , Neoplasias Pulmonares/tratamiento farmacológico
9.
Nanotechnology ; 33(50)2022 Sep 26.
Artículo en Inglés | MEDLINE | ID: mdl-36001940

RESUMEN

A one-step method for patterning low-resistivity nanoscale copper wire is proposed herein to solve the challenging issues of using common metals rather than noble metal nanostructures fabricated by direct laser writing in solution. A complexing and a reducing agent were introduced for the single-photon absorption of copper solution in the visible range and to enable two-photon absorption with a femtosecond laser. Copper clusters were generated prior to direct laser writing to decrease induced laser energy during two-photon absorption and accelerate copper nanowire patterning to avoid the boiling of copper solution. A surfactant was used to restrain the overgrowth of copper clusters to obtain written nanowires with high uniformity. By controlling the laser writing parameters, the obtained copper wire had a minimum width of 230 nm and a resistivity of 1.22 × 10-5Ω·m. Our method paves the way for the fabrication of common metal nanodevices by direct laser writing.

10.
Phys Chem Chem Phys ; 24(1): 180-190, 2021 Dec 22.
Artículo en Inglés | MEDLINE | ID: mdl-34878473

RESUMEN

Lithium-sulfur battery is one of the most promising applicants for the next generation of energy storage devices whose commercial applications are impeded by the key issue of the shuttle effect. To overcome this obstacle, various two-dimensional (2D) carbon-based metal-free compounds have been proposed to serve as anchoring materials for immobilizing soluble lithium polysulfides (LiPs), which however suffer from low electronic conductivity implying unsatisfactory performance for catalyzing sulfur redox. Therefore, we have predicted metallic C5N monolayers, possessing hexagonal (H) and orthorhombic (O) phases, exhibiting excellent performance for suppressing the shuttle effect. First-principles simulations demonstrate that O-C5N could serve as a bifunctional anchoring material due to its strong adsorption capability to LiPs and excellent catalytic performance for sulfur redox with active sites from both basal plane and zigzag edges. Furthermore, the rate of Li2S oxidation over O-C5N is fast due to the low energy barrier of 0.93 eV for Li2S decomposition. While for H-C5N, only N atoms located at the armchair edges can efficiently trap LiPs and boost the formation and dissociation of Li2S during discharge and charge processes, respectively. The current work opens an avenue of designing 2D metallic carbon-based anchoring materials for lithium-sulfur batteries, which deserves further experimental research efforts.

11.
Biomed Pharmacother ; 170: 116089, 2024 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-38157640

RESUMEN

Hyperlipidaemia is described as "excessive phlegm" and "blood stasis" in the classic theory of traditional Chinese medicine. Exocarpium Citri Grandis has the effect of dispelling blood stasis and removing phlegm, which can better meet the treatment needs of this disease. However, there is still a lack of focus and depth in the study of the chemical composition of this medicine, and the correlation between the study of relevant medicinal substances and the efficacy of dispelling stasis and removing phlegm is insufficient. To address this issue, this study was carried out to validate the overall efficacy and identify and determine the chemical composition of Exocarpium Citri Grandis. The regulatory mechanism of the PXR-CYP3A4/FXR-LXRα pathway and its active ingredients were screened, and a pharmacokinetic study of active ingredients was performed. The obtained multidimensional data were statistically analysed and comprehensively evaluated. The quality marker of Exocarpium Citri Grandis in the treatment of hyperlipidaemia based on the PXR-CYP3A4/FXR-LXRα mechanism to exert the efficacy of dispelling blood stasis and removing phlegm was finally determined. Based on the above experiments, we identified 27 compounds from the ethanol extract of Exocarpium Citri Grandis. Among them, naringenin, meranzin hydrate, apigenin, caffeic acid phenethyl ester, anacardiin, hesperidin and naringin can significantly regulate all or part of the targets in the PXR-CYP3A4/FXR-LXRα pathway. It also has suitable content and pharmacokinetic characteristics in vivo. In conclusion, this study established quality markers to characterize the efficacy of Exocarpium Citri Grandis in dispelling blood stasis and removing phlegm, which provides a scientific basis for the targeted evaluation of the hypolipidaemic activity of this medicinal plant.


Asunto(s)
Medicamentos Herbarios Chinos , Hesperidina , Hiperlipidemias , Plantas Medicinales , Citocromo P-450 CYP3A , Hiperlipidemias/tratamiento farmacológico , Medicamentos Herbarios Chinos/uso terapéutico , Medicamentos Herbarios Chinos/farmacocinética , Plantas Medicinales/química , Medicina Tradicional China
12.
Sci Rep ; 14(1): 21086, 2024 09 10.
Artículo en Inglés | MEDLINE | ID: mdl-39256453

RESUMEN

Elephantopus tomentosus (ET) Linn. was reported to be an anti-tumor plant. However, the chemical composition of ET and its anti-tumor compounds and potential mechanisms still unclear. In this paper, UPLC-Q-TOF-MS/MS was firstly used to identified the ingredients in ET and UPLC was used to determine the main compounds of ET. Network pharmacology was applied to predict the potential mechanisms of anti-liver cancer. Anti-tumor nuclear activate compounds and targets of ET were obtained and the anti-liver cancer effect was validated on HepG2. Finally, Molecule docking, RT-qPCR, and western blotting were used for verification of the relationship between nuclear activate compounds and nuclear targets and the potential anti-cancer mechanisms. The result showed that 42 compounds were identified in ET, which consisted of sesquiterpene lactones, flavonoids, and phenylpropanoid compounds. Scabertopin (ST), chlorogenic acid, Isochlorogenic acid B, Isochlorogenic acid A and Isochlorogenic acid C were identified as main compounds and were determined as 0.426%, 0.457%, 0.159%, 0.701%, and 0.103% respectively. 24 compounds showed high pharmacokinetics and good drug-likeness. 520 overlapping targets of the ET compounds and liver cancer were collected. The targets were used for KEGG and GO analysis. GO enrichment analysis suggested that the targets of 24 active compound closed related to promote apoptosis, inhibit proliferation, and regulate oxidative levels. KEGG enrichment analysis suggested that pathway in cancer was enriched most and p38 MAPK/p53 signaling pathway, which closely related to promoting apoptosis and inhibiting proliferation. Compounds-targets analysis based on the parameter of Betweenness, Closeness, Information, Eigenvector, Degree, and component content indicated that ST was the nucleus anti-tumor active compound of ET. HepG2 was first used to validated the anti-tumor effect of ST and the result showed that ST significantly inhibited HepG2 proliferation with a low IC50 less than 5 µM. Nucleus active compound targets, including TP53, CASP3, BCL2, EGFR, TNF-a, IL-1ß, and IL-6 were enriched based on degree value of PPI analysis. Molecule docking suggested that ST showed a good combination to TGFBR1 with the combination energy less than - 5 kcal/mol. RT-qPCR result also suggested that ST significantly medicated the mRNA expression level of TP53, CASP3, BCL2, EGFR, TNF-a, IL-1ß, and IL-6. Protein expression of p-p38/p38 and p-p53/p53 notable increased by ST treatment. In conclude, combining with UPLC-Q-TOF-MS/MS qualitative analysis, UPLC quantitative analysis, network pharmacology analysis, molecule docking, and in vitro experiments on HepG2, we suggest that ST is an anti-tumor ingredient of ET, which may target to TGFBR1 and promote apoptosis and inhibited proliferation of HepG2 by activating p38 MAPK/p53 signaling pathway. ST can be regarded as a quality marker of ET.


Asunto(s)
Neoplasias Hepáticas , Simulación del Acoplamiento Molecular , Humanos , Células Hep G2 , Neoplasias Hepáticas/tratamiento farmacológico , Neoplasias Hepáticas/metabolismo , Neoplasias Hepáticas/patología , Antineoplásicos Fitogénicos/farmacología , Antineoplásicos Fitogénicos/química , Asteraceae/química , Simulación por Computador , Espectrometría de Masas en Tándem , Proliferación Celular/efectos de los fármacos , Extractos Vegetales/farmacología , Extractos Vegetales/química , Apoptosis/efectos de los fármacos
13.
Front Pharmacol ; 15: 1466114, 2024.
Artículo en Inglés | MEDLINE | ID: mdl-39372201

RESUMEN

Introduction: Hyperlipidemia is a condition characterized by abnormal levels of lipids and lipoproteins in the plasma, posing significant health risks. Ferulic acid (FA) is an organic acid with therapeutic properties for diabetes and hyperlipidemia. Methods: To explore biomarkers for FA treatment of hyperlipidemia and elucidate the mechanisms of lipid-lowering-related changes in metabolic pathways by metabolomics and network pharmacology. Initially, a hyperlipidemic mouse model induced by triton WR-1339 was established to evaluate the therapeutic effects of FA. Subsequently, serum metabolomics was utilized to identify differential metabolites, and metabolic pathway analysis was performed using MetaboAnalyst 6.0. Thirdly, network pharmacology was employed to identify potential targets of FA for hyperlipidemia. Finally, the compound-target-metabolite (C-T-M) network obtained core targets and validated them with molecular docking. Results: Biochemical analysis and histological examination showed that FA had lipid-lowering effects on hyperlipidemic mice. It identified 31 potential biomarkers for FA against hyperlipidemia by metabolomics involving lipid and amino acid metabolism. Lipid and atherosclerosis signaling pathways were identified as the key signaling pathways of FA against hyperlipidemia by KEGG analysis. Conjoint analysis showed that FA against hyperlipidemia was associated with 18 core targets and six biomarkers. Molecular docking results showed that FA has a high binding affinity to these core targets. Discussion: Through the synergy of network pharmacology and metabolomics, this study provides insights into how FA regulates endogenous metabolites, underscoring its promise as a treatment for hyperlipidemia.

14.
Heliyon ; 10(15): e35409, 2024 Aug 15.
Artículo en Inglés | MEDLINE | ID: mdl-39170477

RESUMEN

The study aimed to comprehensively investigate environmental pollutants' potential toxicity and underlying molecular mechanisms, focusing on chronic urticaria (CU) induced by butylated hydroxyanisole (BHA) exposure, further drawing public awareness regarding the potential risks of environmental pollutants, applying ChEMBL, STITCH, and SwissTargetPrediction databases to predict the targets of BHA, CTD, GeneCards, and OMIM databases to collect the relevant targets of CU. Ultimately, we identified 81 potential targets of BHA-induced CU and extracted 31 core targets, including TNF, SRC, CASP3, BCL2, IL2, and MMP9. GO and KEGG enrichment analyses revealed that these core targets were predominantly involved in cancer signaling, estrogen and endocrine resistance pathways. Furthermore, molecular docking confirmed the ability of BHA to bind with core targets. The onset and development of CU may result from BHA by affecting multiple immune signaling pathways. Our study elucidated the molecular mechanisms of BHA toxicity and its role in CU induction, providing the basis for preventing and treating chronic urticaria associated with environmental BHA exposure.

15.
J Ethnopharmacol ; 334: 118520, 2024 Nov 15.
Artículo en Inglés | MEDLINE | ID: mdl-38964626

RESUMEN

ETHNOPHARMACOLOGICAL RELEVANCE: Inflammation is directly related to disease progression and contributes significantly to the global burden of disease. Pothos chinensis (Raf.) Merr. (PCM) is commonly used in Yao medicine in China to treat tumors, and orthopedic illnesses such as knee osteoarthritis, and rheumatic bone discomfort. PCM was found to have significant anti-inflammatory properties in previous studies. AIM OF THE STUDY: To explore the active compounds of PCM and their anti-inflammatory pharmacological mechanisms through an integrated strategy of serum pharmacochemistry, network pharmacology, and serum metabolomics. MATERIALS AND METHODS: The qualitative and quantitative analyses of the chemical components of PCM were performed using UPLC-QTOF-MS/MS and UPLC, respectively, and the prototype components of PCM absorbed into the blood were analyzed. Based on the characterized absorbed into blood components, potential targets and signaling pathways of PCM anti-inflammatory were found using network pharmacology. Furthermore, metabolomics studies using UPLC-QTOF-MS/MS identified biomarkers and metabolic pathways related to the anti-inflammatory effects of PCM. Finally, the hypothesized mechanisms were verified by in vivo and in vitro experiments. RESULTS: Forty chemical components from PCM were identified for the first time, and seven of them were quantitatively analyzed, while five serum migratory prototype components were found. Network pharmacology KEGG enrichment analysis revealed that arachidonic acid metabolism, Tyrosine metabolism, TNF signaling pathway, NF-κB signaling pathway, and phenylalanine metabolism were the main signaling pathways of PCM anti-inflammatory. Pharmacodynamic results showed that PCM ameliorated liver injury and inflammatory cell infiltration and downregulated protein expression of IL-1ß, NF-κB p65, and MyD88 in the liver. Metabolomics studies identified 53 different serum metabolites, mainly related to purine and pyrimidine metabolism, phenylalanine metabolism, primary bile acid biosynthesis, and glycerophospholipid metabolism. The comprehensive results demonstrated that the anti-inflammatory modulatory network of PCM was related to 5 metabolites, 3 metabolic pathways, 7 targets, and 4 active components of PCM. In addition, molecular docking identified the binding ability between the active ingredients and the core targets, and the anti-inflammatory efficacy of the active ingredients was verified by in vitro experiments. CONCLUSION: Our study demonstrated the anti-inflammatory effect of PCM, and these findings provide new insights into the active ingredients and metabolic mechanisms of PCM in anti-inflammation.


Asunto(s)
Antiinflamatorios , Metabolómica , Factor 88 de Diferenciación Mieloide , FN-kappa B , Farmacología en Red , Transducción de Señal , Receptor Toll-Like 4 , Antiinflamatorios/farmacología , Animales , FN-kappa B/metabolismo , Receptor Toll-Like 4/metabolismo , Factor 88 de Diferenciación Mieloide/metabolismo , Masculino , Transducción de Señal/efectos de los fármacos , Ratones , Ratas Sprague-Dawley , Espectrometría de Masas en Tándem , Medicamentos Herbarios Chinos/farmacología , Animales no Consanguíneos
16.
J Colloid Interface Sci ; 670: 373-384, 2024 Sep 15.
Artículo en Inglés | MEDLINE | ID: mdl-38768550

RESUMEN

The fabrication of an S-scheme heterojunction demonstrates as an efficient strategy for achieving efficient charge separation and enhancing catalytic activity of piezocatalysts. In this study, a new S-scheme heterojunction was fabricated on the PbBiO2Br surface through the photo-deposition of NiO nanoparticles. It was then employed in the piezoelectric catalytic degradation of Rhodamine B (RhB). The results demonstrate that the NiO/PbBiO2Br composite exhibits efficient performance in piezocatalytic RhB degradation. The optimal sample is the NiO/PbBiO2Br synthesized after 2 h of irradiation, achieving a RhB degradation rate of 3.11 h-1, which is 12.4 times higher than that of pure PbBiO2Br. Simultaneous exposure to visible light and ultrasound further increases in the RhB degradation rate, reaching 4.60 h-1, highlighting the synergistic effect of light and piezoelectricity in the NiO/PbBiO2Br composite. A comprehensive exploration of the charge migration mechanism at the NiO/PbBiO2Br heterojunction was undertaken through electrochemical analyses, theoretical calculations, and in-situ X-ray photoelectron spectroscopy analysis. The outcomes reveal that p-type semiconductor NiO and n-type semiconductor PbBiO2Br possess matching band structures, establishing an S-scheme heterojunction structure at their interface. Under the combined effects of band bending, interface electric fields, and Coulomb attraction, electrons and holes migrate and accumulate on the conduction band of PbBiO2Br and valence band of NiO, respectively, thereby achieving effective spatial separation of charge carriers. The catalyst's synergistic photo-piezoelectric catalysis effect can be ascribed to its role in promoting the generation and separation of charge carriers under both light irradiation and the piezoelectric field. The results of this investigation offer valuable insights into the development and production of catalytic materials that exhibit outstanding performance through the synergy of piezocatalysis and photocatalysis.

17.
Phytomedicine ; 132: 155545, 2024 Sep.
Artículo en Inglés | MEDLINE | ID: mdl-38972238

RESUMEN

BACKGROUNDS: Idiopathic pulmonary fibrosis (IPF) is a persistent and advanced pulmonary ailment. The roles of innate immunity and adaptive immunity are pivotal in the evolution of IPF. An ill-adjusted interaction between epithelial cells and immune cells is responsible for initiating the epithelial-mesenchymal transition (EMT) process and sustaining chronic inflammation, thereby fostering fibrosis progression. The intricacy of IPF pathogenesis has hindered the availability of efficacious agents. Elephantopus scaber Linn. (ESL) is a canonical Chinese medicine with significant immunoregulatory effects, and its aqueous extract has been proven to attenuate IPF symptoms in bleomycin (BLM)-induced mice. However, the underlying mechanism through which ESL relieves IPF remains unclear. AIM: To validate whether ESL reverses IPF by mediating the immune response and EMT. METHODS: Ultra-performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS/MS) and UPLC were used to identify the components and determine the concentrations of the specific compounds in the ESL. Network pharmacology and molecular docking were applied to predict the potential mechanism underlying the anti-IPF effect of ESL. BLM-induced IPF mice were used to validate the anti-IPF effect of ESL, and lung tissue was collected to test putative pathways involved in inflammation and EMT via immunohistochemistry (ICH), real-time quantitative polymerase chain reaction (RT-qPCR) and Western blotting. RESULTS: Sixty-one compounds were identified, and thirteen main ingredients were quantified in the ESL. In silico experiments predicted that the IPF-mediated reversal of adverse effects by ESL would be related to interruption of the Toll-like receptor 4 (TLR4)/nuclear factor-k-gene binding (NF-ĸB) inflammatory pathway and the transforming growth factor-beta l (TGF-ß1)/phosphoinositide 3-kinase (PI3K)/protein kinase B (Akt)/forkhead box O3 (FOXO3a) fibrosis pathway. In vivo experiments showed that ESL alleviates BLM-induced lung inflammation and fibrosis by reducing neutrophil aggregation and fibroblast foci, similar to the effects of the positive control drug pirfenidone (PFD). ESL markedly inhibited the transcription of TNF-α, IL-1ß, and IL-6, which are downstream genes of the NF-κB signaling pathway. Furthermore, the protein levels of TLR4 and p-NF-κB were correspondingly inhibited in response to ESL treatment. Additionally, ESL reverses BLM-induced changes in the expression of EMT-related biological characteristic indicators (collagen I [COLIA1], E-cadherin, and alpha smooth muscle actin [α-SMA]) at the messenger ribonucleic acid (mRNA) level and markedly inhibits the expression of EMT-related upstream proteins (TGF-ß1, p-PI3K, p-Akt, and p-FOXO3a). CONCLUSION: Our research suggested that ESL attenuates BLM-induced IPF through mediating the EMT process via the TGF-ß1/PI3K/Akt/FOXO3a signaling pathway and inhibiting inflammation through the TLR4/NF-κB signaling pathway, highlighting that ESL can serve as an immunoregulator for relieving the abnormal immune response and reversing the EMT in IPF.


Asunto(s)
Bleomicina , Transición Epitelial-Mesenquimal , Proteína Forkhead Box O3 , Fibrosis Pulmonar Idiopática , FN-kappa B , Fosfatidilinositol 3-Quinasas , Proteínas Proto-Oncogénicas c-akt , Transducción de Señal , Receptor Toll-Like 4 , Factor de Crecimiento Transformador beta1 , Animales , Fibrosis Pulmonar Idiopática/tratamiento farmacológico , Fibrosis Pulmonar Idiopática/inducido químicamente , Receptor Toll-Like 4/metabolismo , Proteínas Proto-Oncogénicas c-akt/metabolismo , Factor de Crecimiento Transformador beta1/metabolismo , Fosfatidilinositol 3-Quinasas/metabolismo , Transición Epitelial-Mesenquimal/efectos de los fármacos , FN-kappa B/metabolismo , Masculino , Ratones , Proteína Forkhead Box O3/metabolismo , Transducción de Señal/efectos de los fármacos , Ratones Endogámicos C57BL , Simulación del Acoplamiento Molecular , Medicamentos Herbarios Chinos/farmacología , Medicamentos Herbarios Chinos/química , Farmacología en Red , Modelos Animales de Enfermedad
18.
Sci Rep ; 13(1): 17127, 2023 10 10.
Artículo en Inglés | MEDLINE | ID: mdl-37816825

RESUMEN

Bacterial communities play an important role in mangrove ecosystems. In order to gain information on the bacterial communities in mangrove species and rhizospheres grown in Zhangjiangkou National Mangrove Nature Reserve, this study collected root, branch, and leaf samples from five mangrove species as well as rhizosphere and non-rhizosphere samples and analyzed the community structure of endophytic bacteria and bacteria in rhizosphere and non-rhizosphere using Illumina high-throughput sequencing technique. Bacteria in 52 phyla, 64 classes, 152 orders, 295 families, and 794 genera were identified, which mainly belonged to Proteobacteria, Cyanobacteria, Actinobacteria, Firmicutes, Bacteroidetes, Fusobacteria, and Nitrospirota. At each taxonomic level, the community structure of the rhizosphere bacteria varied slightly with mangrove species, but endophytic bacteria differed greatly with plant species. The diversity indices of endophytic bacteria in branch and leaf samples of Acanthus ilicifolius were significantly lower, and endophytic bacteria in the plant tissues had higher abundance in the replication/repair and translation Clusters of Orthologous Genes functional categories but lower abundance in the carbohydrate metabolism category. This study helps to understand the community structure and diversity characteristics of endophytic and rhizosphere bacteria in different mangrove plants. Provide a theoretical basis for in-depth research on the functions of mangrove ecosystems.


Asunto(s)
Cianobacterias , Ecosistema , Humanos , Rizosfera , ARN Ribosómico 16S/genética , Cianobacterias/genética , Proteobacteria/genética , Microbiología del Suelo
19.
Front Biosci (Landmark Ed) ; 28(12): 329, 2023 12 05.
Artículo en Inglés | MEDLINE | ID: mdl-38179742

RESUMEN

BACKGROUND: The purpose of this study was to elucidate the community structure of rhizosphere soil bacteria and endophytic bacteria during the growth of moso bamboo (Phyllostachys edulis) shoots. METHODS: This study collected the rhizospheric soil samples, tissue samples of rhizome roots, shoot buds, winter bamboo shoots, spring bamboo shoots, and samples of forest soil. Their metagenomic DNA was extracted, and the bacterial community structure and diversity characteristics were compared and analyzed using high-throughput sequencing technology. RESULTS: These samples enabled the identification of 32 phyla, 52 classes, 121 orders, 251 families, and 593 genera of bacteria. The phyla primarily included Proteobacteria, Acidobacteria, and Cyanobacteria among others. Proteobacteria was the dominant phylum in the samples of bamboo shoots and rhizome roots, whereas Acidobacteria was dominant in the rhizosphere and forest soil samples. The predominant genera of the rhizome root samples were Acidothermus, Bradyrhizobium and Acidobacterium, and the predominant genera of the soil samples were Acidothermus and Acidobacterium. CONCLUSIONS: This study preliminarily revealed the regularity between the growth and development of bamboo shoots and the changes in the community structure of rhizosphere soil and endophytic bacteria, which provides insights into the relationship between growth and the bacterial community structure in different stages of bamboo shoots.


Asunto(s)
Cianobacterias , Suelo , Humanos , Rizosfera , Poaceae/microbiología
20.
Sci Rep ; 13(1): 9833, 2023 06 17.
Artículo en Inglés | MEDLINE | ID: mdl-37330578

RESUMEN

To study the characteristics of bacterial community structure in high-yield and low-yield moso bamboo (Phyllostachys edulis) forests, we collected bamboo rhizome, rhizome root, stem, leaf, rhizosphere soil, and non-rhizosphere soil from high- and low-yield forests in Yong'an City and Jiangle County of Fujian Province, China. The genomic DNA of the samples was extracted, sequenced and analyzed. The results show that: the common differences between the high-yield and low-yield P. edulis forest samples in the two regions were mainly in bacterial community compositions in the bamboo rhizome, rhizome root, and soil samples. Differences in the bacterial community compositions in the stem and leaf samples were insignificant. The bacterial species and diversity in rhizome root and rhizosphere soil of high-yield P. edulis forests were less than those of low-yield forests. The relative abundance of Actinobacteria and Acidobacteria in rhizome root samples of high-yield forests was higher than that in low-yield forests. The relative abundance of Rhizobiales and Burkholderiales in bamboo rhizome samples in high-yield forests was higher than that in low-yield forests. The relative abundance of Bradyrhizobium in bamboo rhizome samples in high-yield forests was higher than that in low-yield forests in the two regions. The change of bacterial community composition in P. edulis stems and leaves showed little correlation with high- or low-yields of P. edulis forests. Notably, the bacterial community composition of the rhizome root system was correlated with the high yield of bamboo. This study provides a theoretical basis for using of microbes to enhance the yields of P. edulis forests.


Asunto(s)
Bosques , Poaceae , Bacterias/genética , Acidobacteria , Suelo/química
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