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Hepatocellular carcinoma (HCC) remains a major global health concern with limited therapeutic options and poor prognosis. Chemokines have emerged as critical regulators in the progression and metastasis of HCC. This study aims to investigate the mechanisms involved in CCL28-promoted progression of HCC and provide novel therapeutic targets for HCC treatment. Relationship between CCL28 expression and HCC progression were investigated by bioinformatic analysis and immunohistochemical staining assays. CCK-8, Transwell, and colony formation assay were conducted to explore the impact of CCL28 on the growth, migration and invasion of HCC cells. Quantitative real-time PCR and western blotting assays were performed to learn potential molecular mechanisms underlying the transformation of HCC driven by CCL28. The results showed that there was a direct link between increased CCL28 levels and the advancement of HCC, leading to a worse outcome. CCL28 significantly augmented malignant transformation of HCC cells, containing proliferation, migration, invasion, and clonogenicity, via activation of PDGFD-regulated MMP9 and VEGFA pathways. CCL28 emerges as a pivotal contributor to HCC tumorigenesis, propelling HCC development through the PDGFD signaling pathway. Our findings unveil potential therapeutic targets for HCC treatment.
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OBJECTIVES: The study aimed to understand the composition, epidemiological characteristics and disease burden of chronic non-communicable diseases and to evaluate the association between sociodemographic factors and chronic non-communicable diseases. DESIGN: A cross-sectional study. SETTING AND PARTICIPANTS: Medical records of 196 761 residents were collected from Dongfang disease surveillance system from January to December 2021. PRIMARY OUTCOME: Prevalence and disability burden were recorded. Logistic regression was used to investigate the relationship between sociodemography factors and diseases. RESULTS: Cardiovascular diseases, chronic lower respiratory diseases and other upper respiratory tract diseases were the main chronic non-communicable diseases. In multivariable analysis, men were associated with increased risk of cardiovascular diseases (OR=1.210, 95% CI 1.162 to 1.261) and chronic lower respiratory diseases (OR=1.128, 95% CI 1.079 to 1.180). Older age was associated with increased risk of cardiovascular diseases (OR=83.952, 95% CI 58.954 to 119.550), whereas was associated with decreased risk of chronic lower respiratory diseases (OR=0.442, 95% CI 0.415 to 0.471) and other upper respiratory tract diseases (OR=0.450, 95% CI 0.411 to 0.493). The unemployed and poor household were associated with decreased risk of cardiovascular diseases (OR=0.463, 95% CI 0.412 to 0.521 and OR=0.390, 95% CI 0.342 to 0.444, respectively), whereas were associated with increased risk of chronic lower respiratory diseases (OR=12.219, 95% CI 6.343 to 23.539 and OR=10.954, 95% CI 5.666 to 21.177, respectively) and other upper respiratory tract diseases (OR=2.246, 95% CI 1.719 to 2.936 and OR=3.035, 95% CI 2.308 to 3.991, respectively). Gender and age moderated the association between personnel category and major diseases. CONCLUSIONS: The spectrum and epidemiological characteristics of chronic diseases observed in Dongfang is good evidence for developing prevention guides and health policies for region.
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Doenças não Transmissíveis , Humanos , Masculino , Estudos Transversais , Feminino , China/epidemiologia , Pessoa de Meia-Idade , Doenças não Transmissíveis/epidemiologia , Adulto , Doença Crônica/epidemiologia , Idoso , Adulto Jovem , Prevalência , Adolescente , Doenças Respiratórias/epidemiologia , Doenças Cardiovasculares/epidemiologia , Modelos Logísticos , Fatores de Risco , Fatores SocioeconômicosRESUMO
Curcumin is a natural lipophilic polyphenol that exhibits significant various biological properties such as antioxidant and anti-inflammatory properties following oral administration. However, its uses have shown limitations concerning aqueous solubility, bioavailability and biodegradability that could be improved by prolamin-based nanoparticle. In this study, curcumin was encapsulated into prolamin from sorghum (SOP) and wheat (WHP) and distilled spirit spent grain (DSSGP), which was obtained after microbial proteolysis of the former two cereal grains. All the three prolamins showed clear variation of protein profiles and microstructure as confirmed by electrophoresis analysis, disulfide bond determination and Fourier-transform infrared spectroscopy (FTIR). For curcumin-loaded nanospheres (NPs) fabrication, three prolamin-based NPs shared features of spherical shape, uniform particle size, and smooth surface. The average size ranged from 122 to 193 nm depending on the prolamin variety and curcumin loading. In the experiments in vitro, curcumin showed significantly improved UV/thermal stability. Furthermore, DSSGP was more resistant to enzymatic digestion in vitro, hence achieving the controlled release of curcumin in gastrointestinal tract. Collectively, the results indicated the improved bioavailability and biodegradability of curcumin encapsulated by DSSGP, which would be an innovative potential encapsulant for effective protection and targeted delivery of hydrophobic compounds.
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Curcumina , Prolaminas , Curcumina/química , Curcumina/farmacologia , Prolaminas/química , Hidrólise , Grão Comestível/química , Álcalis/química , Tamanho da Partícula , Sorghum/química , Triticum/química , Nanopartículas/químicaRESUMO
Currently, Bifidobacterium, Lactobacillus, and Streptococcus thermophilus (BLS) are widely recognized as the crucially beneficial bacteria in the gut. Many preclinical and clinical studies have shown their protective effects against non-alcoholic fatty liver disease (NAFLD). However, whether gestational BLS supplementation could alleviate NAFLD in the offspring is still unknown. Kunming mice were given a high-fat diet (HFD) for 4 weeks before mating. They received BLS supplementation by gavage during pregnancy. After weaning, offspring mice were fed with a regular diet up to 5 weeks old. Gestational BLS supplementation significantly increased the abundance of Actinobacteriota, Bifidobacterium, and Faecalibaculum in the gut of dams exposed to HFD. In offspring mice exposed to maternal HFD, maternal BLS intake significantly decreased the ratio of Firmicutes to Bacteroidetes as well as the relative abundance of Prevotella and Streptococcus, but increased the relative abundance of Parabacteroides. In offspring mice, maternal BLS supplementation significantly decreased the hepatic triglyceride content and mitigated hepatic steatosis. Furthermore, maternal BLS supplementation increased the glutathione content and reduced malondialdehyde content in the liver. In addition, mRNA and protein expression levels of key rate-limiting enzymes in mitochondrial ß-oxidation (CPT1α, PPARα, and PGC1α) in the livers of offspring mice were significantly increased after gestational BLS supplementation. Thus, gestational BLS supplementation may ameliorate maternal HFD-induced steatosis and oxidative stress in the livers of offspring mice by modulating fatty acid ß-oxidation.
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Bifidobacterium , Dieta Hiperlipídica , Ácidos Graxos , Microbioma Gastrointestinal , Lactobacillus , Oxirredução , Probióticos , Streptococcus thermophilus , Animais , Streptococcus thermophilus/metabolismo , Camundongos , Feminino , Gravidez , Probióticos/administração & dosagem , Probióticos/farmacologia , Dieta Hiperlipídica/efeitos adversos , Ácidos Graxos/metabolismo , Fígado/metabolismo , Hepatopatia Gordurosa não Alcoólica/metabolismo , Hepatopatia Gordurosa não Alcoólica/microbiologia , Suplementos Nutricionais , Masculino , Triglicerídeos/metabolismoRESUMO
Cynomorium songaricum Rupr. (CSR) belongs to the family Cynomoriaceae. It is a perennial succulent parasitic herb with a reddish-brown coloration, predominantly submerged in sand and lacking chlorophyll. Traditionally, it has been used in ethnic medicine to treat various diseases, such as gastric ulcers, indigestion, bowel movements, and improving sexual function. To comprehensively collect CSR data, extensive literature searches were conducted using medical, ecological, and scientific databases such as Google Scholar, PubMed, Science Direct, Web of Science, and China National Knowledge Infrastructure (CNKI). This article summarizes and categorizes research on the uses, phytochemical characteristics, pharmacological activities, and toxicity of ethnic medicine, with the aim of establishing a solid foundation and proposing new avenues for exploring and developing potential applications of CSR. So far, a total of 98 compounds have been isolated and identified from CSR, including flavonoids, terpenes, steroids, and other compounds. It is worth noting that flavonoids and polysaccharides have significant antioxidant and anti-inflammatory properties. In addition, these compounds also show good application prospects in anti-tumor, antioxidant, anti-aging, anti-fatigue, anti-diabetes, and other aspects. Although extensive progress has been made in the basic research of CSR, further research is still needed to enhance the understanding of its mechanism of action and explore more unknown compounds. Our review indicates that CSR has broad prospects and deserves further research.
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Cynomorium , Etnofarmacologia , Antioxidantes , Medicina Tradicional Chinesa , Compostos Fitoquímicos/farmacologia , Flavonoides , Extratos Vegetais/química , FitoterapiaRESUMO
JOURNAL/nrgr/04.03/01300535-202408000-00040/figure1/v/2023-12-16T180322Z/r/image-tiff The retina of zebrafish can regenerate completely after injury. Multiple studies have demonstrated that metabolic alterations occur during retinal damage; however to date no study has identified a link between metabolites and retinal regeneration of zebrafish. Here, we performed an unbiased metabolome sequencing in the N-methyl-D-aspartic acid-damaged retinas of zebrafish to demonstrate the metabolomic mechanism of retinal regeneration. Among the differentially-expressed metabolites, we found a significant decrease in p-aminobenzoic acid in the N-methyl-D-aspartic acid-damaged retinas of zebrafish. Then, we investigated the role of p-aminobenzoic acid in retinal regeneration in adult zebrafish. Importantly, p-aminobenzoic acid activated Achaetescute complex-like 1a expression, thereby promoting Müller glia reprogramming and division, as well as Müller glia-derived progenitor cell proliferation. Finally, we eliminated folic acid and inflammation as downstream effectors of PABA and demonstrated that PABA had little effect on Müller glia distribution. Taken together, these findings show that PABA contributes to retinal regeneration through activation of Achaetescute complex-like 1a expression in the N-methyl-D-aspartic acid-damaged retinas of zebrafish.
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To reduce the inhibition sensitivity of a thermoresistant xylanase AusM to xylanase inhibitor protein (XIP)-type in wheat flour, the site-directed mutagenesis was conducted based on the computer-aided redesign. First, fourteen single-site variants and one three-amino acid replacement variant in the thumb region of an AusM-encoding gene (AusM) were constructed and expressed in E. coli BL21(DE3), respectively, as predicted theoretically. At a molar ratio of 100:1 between SyXIP-I/xylanase, the majority of mutants were nearly completely inactivated by the inhibitor SyXIP-I, whereas AusMN127A retained 62.7% of its initial activity and AusMPKK retained 100% of its initial activity. The optimal temperature of the best mutant AusMPKK was 60 °C, as opposed to 60-65 °C for AusM, while it exhibited improved thermostability, retaining approximately 60% of its residual activity after heating at 80 °C for 60 min. Furthermore, AusMPKK at a dosage of 1000 U/kg was more effective than AusM at 4000 U/kg in increasing specific bread loaf volume and reducing hardness during bread production and storage. Directed evolution of AusM significantly reduces inhibition sensitivity, and the mutant enzyme AusMPKK is conducive to improving bread quality and extending its shelf life.
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The endoplasmic reticulum (ER) functions as a quality-control organelle for protein homeostasis, or "proteostasis". The protein quality control systems involve ER-associated degradation, protein chaperons, and autophagy. ER stress is activated when proteostasis is broken with an accumulation of misfolded and unfolded proteins in the ER. ER stress activates an adaptive unfolded protein response to restore proteostasis by initiating protein kinase R-like ER kinase, activating transcription factor 6, and inositol requiring enzyme 1. ER stress is multifaceted, and acts on aspects at the epigenetic level, including transcription and protein processing. Accumulated data indicates its key role in protein homeostasis and other diverse functions involved in various ocular diseases, such as glaucoma, diabetic retinopathy, age-related macular degeneration, retinitis pigmentosa, achromatopsia, cataracts, ocular tumors, ocular surface diseases, and myopia. This review summarizes the molecular mechanisms underlying the aforementioned ocular diseases from an ER stress perspective. Drugs (chemicals, neurotrophic factors, and nanoparticles), gene therapy, and stem cell therapy are used to treat ocular diseases by alleviating ER stress. We delineate the advancement of therapy targeting ER stress to provide new treatment strategies for ocular diseases.
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Defeitos da Visão Cromática , Estresse do Retículo Endoplasmático , Humanos , Estresse do Retículo Endoplasmático/genética , Resposta a Proteínas não Dobradas/genética , Autofagia/genética , EpigenômicaRESUMO
In the present work, the optimization of extraction, emulsifying properties, and biological activities of polysaccharides from Lentinula edodes Sing (LES) were studied. The results showed LES polysaccharides extracted by hot water or ultrasonication are a group of ß-glucan. Among all the samples, the one extracted by hot water showed the best emulsifying capacity. In addition, the results demonstrated that LES polysaccharide had strong scavenging activities in vitro on DPPH and ABTS radicals, which reached the highest level for the one extracted by 90 min ultrasonication (p < 0.05). Overall, Lentinula edodes Sing polysaccharides (LESPs) may have potential applications as emulsifying agents in food industries.
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Gravel mulch is an agricultural water conservation practice that has been widely used in the semi-arid region of northwest China, but its effectiveness is now lessening due to soil degradation caused by long-term gravel mulching. In this study, we report on a 6-year-long gravel mulch experiment conducted in the northwestern Loess Plateau to evaluate the impact of gravel mulch on soil physicochemical properties and microbial communities, with the objective of clarifying the causes of long-term gravel mulching-induced land degradation. After 6 years mulching, we found that gravel mulched soil contained significantly higher concentrations of total carbon and total organic carbon than non-mulched soil (control). Long-term gravel mulching significantly changed the soil microbial diversity and abundance distribution of bacterial and fungal communities. Notably, the relative abundance of Acidobacteria was significantly higher under gravel mulching than the control (no mulching), being significantly greater in the AG treatment (small-sized gravel, 2-5 mm) than all other treatments. Conversely, the relative abundance of Actinobacteria was significantly lower under gravel mulching than the control, being the lowest in the BG treatment (large-sized gravel, 40-60 mm). At the same time, the relative abundance of Bacteroidetes was significantly lower in AG yet higher in BG vis-à-vis the other treatments. Of the various factors examined, on a 6-year scale, the capture of dust by gravel mulch and altered carbon and nitrogen components in soil play major contributing roles in the compositional change of soil microorganisms. These results suggest that modified soil material input from gravel mulching may be the key factor leading to soil degradation. More long-term experimental studies at different sites are now needed to elucidate the mechanisms responsible for soil degradation under gravel mulching.
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Research on the use of polysaccharides as hydrophobic bioactive carriers instead of proteins is still scarce. Sugar beet pectin (SBP) contains a small amount of protein and is a potential carrier for loading curcumin. In this work, SBP encapsulation, genipin crosslinking, and laccase-induced gelation were used to develop novel jelly food and improve the stability of curcumin without the incorporation of oil. By mixing the SBP solution (40 mg/mL) with curcumin powder (25 mg/mL SBP solution), an SBP-curcumin complex (SBP-Cur) was fabricated with a loading amount of 32 mg/g SBP, and the solubility of curcumin improved 116,000-fold. Fluorescence spectroscopy revealed that hydrophobic interactions drove the complexation of curcumin and SBP. Crosslinked by genipin (10 mM), SBP-Cur showed a dark blue color, and the gel strength of laccase-catalyzed gels was enhanced. Heating and UV radiation tests suggested that the genipin crosslinking and gelation strategies substantially improved the stability of curcumin. Because of the unique UV-blocking capacity of blue pigment, crosslinked samples retained 20% more curcumin than control samples. With the enhanced stability of curcumin, the crosslinked SBP-curcumin complexes could be a functional food ingredient used in functional drinks, baked food, and jelly food.
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Dihydrotestosterone (DHT) is a potent nonaromatizable 5α-reduced androgen with both positive and negative effect on inflammation process. However, it remains unknown whether DHT can regulate Lipopolysaccharides (LPS)-induced inflammation in bovine endometrial epithelial cells (bEECs). Here, we demonstrated that the DHT biosynthesis ability and androgen receptors (AR) expression is defective in bovine endometrial with endometritis, which aggravates endometrial inflammation. In vitro study, we established a LPS-induced inflammation model in bEECs, and found that DHT inhibited the TLR4 and MyD88 protein as well as TNF-α, IL-1ß, and IL-6 mRNA of bEECs in a dose-dependent manner. Moreover, the anti-inflammation effect of DHT was blocked by AR inhibitor flutamide. Together, we demonstrated that supplementing DHT can alleviate the inflammation response of bEECs caused by LPS, which is associated with AR regulating the inhibition of TLR4/MyD88 signaling pathway.
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Doenças dos Bovinos , Endometrite , Feminino , Animais , Bovinos , Lipopolissacarídeos/toxicidade , Di-Hidrotestosterona/farmacologia , Di-Hidrotestosterona/metabolismo , Receptores Androgênicos/metabolismo , Fator 88 de Diferenciação Mieloide/genética , Fator 88 de Diferenciação Mieloide/metabolismo , Fator 88 de Diferenciação Mieloide/farmacologia , Receptor 4 Toll-Like/genética , Receptor 4 Toll-Like/metabolismo , Inflamação/induzido quimicamente , Inflamação/metabolismo , Inflamação/veterinária , Transdução de Sinais , Endometrite/induzido quimicamente , Endometrite/veterinária , Endometrite/metabolismo , Células Epiteliais , Doenças dos Bovinos/metabolismoRESUMO
ETHNOPHARMACOLOGICAL RELEVANCE: Cynanchum komarovii (CK), the northwest Chinese region's common medicinal herb, was traditionally utilized to treat arthritis, toothache, bald sores and cholecystitis. Various forms of arthritis can be treated with CK, based on "Medicinal Plants of Chinese Desert Areas". However, the exact mechanism of action in rheumatoid arthritis (RA) is uncertain. AIM OF THE STUDY: To evaluate the in vitro and in vivo effects of CK extracts on RA and to preliminarily investigate its anti-RA mechanism of action. MATERIALS AND METHODS: The main components of CK extract were analyzed by HPLC method. The effects of CK on the proliferation and apoptosis of human rheumatoid arthritis fibroblast-like synoviocytes (HFLS-RA) cells and the expression of apoptosis-related proteins in HFLS-RA cells were evaluated by CCK8 assay, flow cytometry and WB assay. To verify the anti-RA effect of CK extracts in vivo, a collagen-induced arthritis (CIA) rat model was established. The rats were divided into six groups: normal group, model group, CK high-dose group (1000 mg/kg, CK-H), CK medium-dose group (500 mg/kg, CK-M), CK low-dose group (250 mg/kg, CK-L) and methotrexate-positive drug group (MTX); the drug was administered continuously for 28 days. Body weight changes, joint swelling, arthritis index, bone density, ankle lesions, immune organ index, splenic lesions and inflammatory factor expression were used to evaluate the in vivo anti-RA activity of the extract. RESULTS: The findings of in vitro experiments showed that 10% CK-containing serum decreased the expression level of Bcl-2, increased the expression levels of Bax and Cleaved Caspase-3 in synovial cells, and prevented TNF-α induced aberrant proliferation and apoptotic antagonism in HFLS-RA cells. According to in vivo studies, CK extract at doses above 250 mg/kg was effective in controlling the levels of inflammatory factors, lowering the arthritis index, and improving foot swelling in CIA rats. When administered at doses up to 1000 mg/kg, CK extract significantly improved synovial lesions, increased bone density, and decreased abnormally elevated immune organ index in CIA rats. CONCLUSIONS: CK has significant anti-RA activity, and its anti-RA mechanism of action may be related to the regulation of the expression levels of apoptosis related proteins and the promotion of apoptosis in synovial cells.
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Artrite Experimental , Artrite Reumatoide , Cynanchum , Sinoviócitos , Ratos , Humanos , Animais , Artrite Reumatoide/patologia , Artrite Experimental/patologia , Metotrexato/farmacologia , Proteínas Reguladoras de Apoptose/metabolismo , Membrana SinovialRESUMO
Natural products have been used extensively around the world for many years as therapeutic, prophylactic, and health-promotive agents. Ribes himalense Royle ex Decne, a plant used in traditional Tibetan medicine, has been demonstrated to have significant antioxidant and anti-inflammatory properties. However, the material basis of its medicinal effects has not been sufficiently explored. In this study, we established an integrated strategy by online HPLC-1,1-diphenyl-2-picrylhydrazyl, medium-pressure liquid chromatography, and HPLC to achieve online detection and separation of antioxidants in Ribes himalense extracts. Finally, four antioxidants with quercetin as the parent nucleus were obtained, namely, Quercetin-3-O-ß-D-glucopyranoside-7-O-α-L-rhamnopyranoside, Quercetin-3-O-ß-D-xylopyranosyl(1-2)-ß-D-glucopyranoside, Quercetin-3-O-ß-D-glucopyranoside, and Quercetin-3-O-ß-D-galactoside. Until now, the four antioxidants in Ribes himalense have not been reported in other literatures. Meanwhile, the free-radical-scavenging ability of them was evaluated by DPPH assay, and potential antioxidant target proteins were explored using molecular docking. In conclusion, this research provides insights into the active compounds in Ribes himalense which will facilitate the advancement of deeper studies on it. Moreover, such an integrated chromatographic strategy could be a strong driver for more efficient and scientific use of other natural products in the food and pharmaceutical industries.
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BACKGROUND: Exosomes are essential for hepatocellular carcinoma (HCC) progression and have garnered significant interest as novel targets for diagnostic, prognostic, and therapeutic approaches. This study aims to identify potential exosome-related biomarkers for the development of useful strategies for HCC diagnosis and therapy. METHODS: Three datasets obtained from the Gene Expression Omnibus (GEO) were utilized to identify differentially expressed genes (DEGs) in HCC. Through Gene Ontology (GO) analysis and protein-protein interaction (PPI) network, overall survival (OS) analysis, Cox analyses, and diethylnitrosamine (DEN)-induced HCC mouse model detection, exosome-related hub gene was screened out, followed by a prognostic value assessment and immune-correlates analysis based on the Cancer Genome Atlas (TCGA) dataset. The hub gene-containing exosomes derived from Hepa1-6 cells were isolated and characterized using differential ultracentrifugation, transmission electron microscopy scanning, and Western blot. Ultrasound-guided intrahepatic injection, cell co-culture, CCK-8, and flow cytometry were performed to investigate the effects of the hub gene on macrophage infiltration and polarization in HCC. RESULTS: A total of 83 DEGs enriched in the extracellular exosome term, among which, FTCD, HRA, and C8B showed the strongest association with the progression of HCC. FTCD was independently associated with a protective effect in HCC and selected as the hub gene. The presence of FTCD in exosomes was confirmed. FTCD-stimulated macrophages were polarized towards the M1 type and suppressed HCC cells proliferation. CONCLUSIONS: FTCD is a potential exosome-related biomarker for HCC diagnosis, prognosis, and treatment. The crosstalk between FTCD-containing exosomes and macrophages in HCC progression deserves further investigation.
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Carcinoma Hepatocelular , Exossomos , Glutamato Formimidoiltransferase , Neoplasias Hepáticas , Animais , Camundongos , Western Blotting , Carcinoma Hepatocelular/genética , Exossomos/genética , Neoplasias Hepáticas/genética , Camundongos Endogâmicos , Glutamato Formimidoiltransferase/metabolismoRESUMO
Antioxidants from natural sources have long been of interest to researchers. In this paper, taking the traditional Tibetan medicine Ribes himalense as an example, an integrated approach was used to identify and isolate its chemical composition with free-radical-scavenging properties from its ethanol extract. First, the ethanol extract of Ribes himalense was pretreated using polyamide medium-pressure liquid chromatography (polyamide-MPLC), and the target fraction (Fr4) was obtained. Then, a combined HPLC mode was utilized to purify antioxidants in Fr4 under the guidance of an online HPLC-1,1-diphenyl-2-picrylhydrazyl (HPLC-DPPH) activity screening system. Finally, three antioxidants (3-caffeoylquinic acid methyl ester, rutin, and myricetin-3'-α-L-rhamnopyranoside) were isolated, and this is the first report of their presence in R. himalense. Further molecular docking studies showed that the antioxidants exhibited good binding with HO-1, Nrf2, and iNOS. In conclusion, this comprehensive approach is capable of extracting high-purity antioxidants from trace fractions of Ribes himalense and holds promise for future applications in the exploration of the chemical compositions and bioactivity of natural products.
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Antioxidantes , Ribes , Antioxidantes/farmacologia , Simulação de Acoplamento Molecular , Nylons , Cromatografia Líquida , Etanol , Extratos Vegetais/farmacologiaRESUMO
Constructing charge transfer (CT) systems and packing arrangement are common and effective methods to control the efficiency of nonlinear optical (NLO) materials. Apart from the traditional through-bond CT (TBCT) systems, through-space CT (TSCT) also leads to distinctive optical and electronic properties. Meanwhile, corresponding theoretical investigations of the aggregation effect are highly desired. In this work, some TSCT and model compounds incorporating acenaphthene as a scaffold and triphenylamine (TPA) as the donor are theoretically performed to systematically reveal the effect of both solvent and solid environments on their static first hyperpolarizabilities (ßtot) by using the polarizable continuum model (PCM) and the combined quantum mechanics and molecular mechanics (QM/MM) method. Results indicate that the dichloromethane solvent effect within the PCM approach causes an almost 2 times increase of the ßtot values. Besides, the different packing modes and intermolecular interactions have remarkable influence on the second-order NLO properties. For the case of TPA-ace-CN in the crystal state, the parallel arrangement will lead to large NLO responses (4.9 × 10-30 esu) compared to the correspondingly isolated molecule (3.4 × 10-30 esu). However, for the TPA-ace-TRZ compound with the TSCT architecture, selection of the molecular arrangement may make the aggregate ineffective due to the offset of the through-space dipole and charge transfer between D-A groups, which lead to the ßtot values decreasing from 15.2 × 10-30 to 7.7 × 10-30 esu. We believe that our calculation will serve as a guide for the exploration of more efficient NLO materials wherein the molecules are oriented in their most favorable arrangements.
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BACKGROUND: Northern China has severe air pollution, especially in winter. Fractional exhaled nitric oxide (FeNO) is an established biomarker of airway inflammation. AIM: To study associations between ambient temperature, air pollution and FeNO in university students in northern China. METHODS: We performed a panel study in 67 university students without asthma diagnosis in the city of Taiyuan. FeNO was measured 6 times, over one heating season. Outdoor PM10, PM2.5, SO2, NO2 and O3 were measured at a fixed location in the campus. SO2, NO2 and O3 were measured 7 days (24 h/day) before the FeNO test. PM2.5 and PM10 were measured at different lag times (lag 1 day to lag 7 days). Temperature and carbon monoxide (CO) data were collected from a nearby monitoring station (lag 7). Linear mixed models were applied to study associations between exposure and FeNO, adjusting for gender, age, current smoking, height and furry pet or pollen allergy. RESULTS: The overall geometric mean (GM) of FeNO was 17.2 ppb. GM of FeNO was lowest (12.9 ppb) in January and highest (20.0 ppb) in April. The range of lag 7 pollution was 105.0-339.0 µg/m3 for PM10, 72.0-180.0 µg/m3 for PM2.5, 36.0-347.0 µg/m3 for SO2, 26.0-69.0 µg/m3 for NO2, 31.0-163.0 µg/m3 for O3 and 0.93-3.14 mg/m3 for CO. The lag 7 temperature ranged from -4.5 to 20.1 °C. FeNO was consistently higher at higher outdoor temperature (p < 0.001). In multi-pollutant models with temperature adjustment, PM10, PM2.5 and SO2 were associated with FeNO (all p-values <0.001). In contrast, CO was negatively associated (protective) with FeNO (p < 0.001). Associations between exposure and FeNO were similar in men and women. CONCLUSION: PM10, PM2.5 and SO2 and outdoor temperature can be associated with airway inflammation, measured as FeNO, in young adults in northern China while CO could be negatively associated with FeNO.
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Poluentes Atmosféricos , Poluição do Ar , Poluentes Atmosféricos/análise , Poluição do Ar/análise , China/epidemiologia , Exposição Ambiental/análise , Feminino , Humanos , Inflamação , Masculino , Óxido Nítrico/análise , Dióxido de Nitrogênio/análise , Material Particulado/análise , Estudantes , Temperatura , Universidades , Adulto JovemRESUMO
In recent years, Hybrid Cellular Automata Method (HCAM) has been successfully applied to solve structural topology optimization problems. However, there was no report on HCAM research of three-dimensional composite structure composed of multiple materials and multiple bodies. Therefore, in this paper, three-dimensional non-cube cells of irregular size (such as tetrahedral cells with adaptive changes inside length) and Finite Element Method (FEM) are introduced to extend HCAM, which is better and more flexibly to fit complex geometric shapes. Furthermore, a better structure configuration of multi-material and multi-body structure is obtained. The typical example study showed that the proposed topology optimization method could effectively remove the redundant materials of multi-material and multi-body structure, and the optimized structure configuration could still meet the requirements of the original condition after geometric reconstructed. Thus it provided a reference for the intelligent design of other products.
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Autômato Celular , Projetos de PesquisaRESUMO
(R)-p-chlorophenyl-1,2-ethanediol (pCPED) is an important intermediate for the synthesis of (R)-eliprodil that is widely applied in the treatment of ischemic stroke. To prepare (R)-pCPED with high enantiomeric excess (ee p) and yield via the enantioconvergent hydrolysis of racemic styrene oxide (rac-pCSO) at high concentration, the bi-enzymatic catalysis was designed and investigated by a pair of epoxide hydrolases, a mutant (PvEH1Z4X4-59) of Phaseolus vulgaris EH1 and a mutant (RpEHF361V) of Rhodotorula paludigena RpEH. Firstly, the maximum allowable concentration of rac-pCSO was confirmed. Subsequently, the addition mode and the weight ratio of two Escherichia coli cells were optimized. Finally, under the optimized reaction conditions-the cell weight ratio 20:1 of E. coli/pveh1z4x4-59 to E. coli/rpeh F361V, a simultaneous addition mode, and reaction temperature at 25°C-300 mM rac-pCSO in the 100 ml 4% (v/v) Tween-20/phosphate buffer system (100 mM, pH 7.0) was completely hydrolyzed within 5 h, affording (R)-pCPED with 87.8% ee p, 93.4% yield, and 8.63 g/L/h space-time yield (STY). This work would be an efficient technical strategy for the preparation of chiral vicinal diols at industrial scale.