Molecules最新文献

Chronic kidney disease (CKD) has emerged as a pressing global public health concern, making the identification of renal fibrosis inhibitors a key research focus. In this study, seven undescribed abietane-type diterpenoids, pinusyunins A-G (1, 2, 4, and 7-10) and three known analogues (3, 5, and 6), were isolated from Pinus yunnanensis resin, which were identified by spectroscopic analyses and quantum computational chemistry methods. Biological evaluation showed that all the isolates exhibited inhibitory activity against the expression of collagen I, fibronectin, and α-SMA in transforming growth factor-β1 (TGF-β1)-induced NRK-52E and NRK-49F cells. Specifically, compounds 1-10 reduced the expression of α-SMA at 40 μM in both cell lines, while compounds 6-8 and 10 decreased the expression of these three markers at 40 μM in both cell lines with the potency of compound 10 superior to the others in α-SMA inhibition in NRK-52E cells. Variations in activity are associated with differences in substituents at the C-13 position. Further studies demonstrated that these abietane-type diterpenoids block the TGF-β/Smad signaling pathway by inhibiting the phosphorylation of Smad2/3. In particular, compounds 1, 3, 6, and 7 suppressed only p-Smad3 other than p-Smad2, indicating their specificity. The research on these abietane-type diterpenoids provides novel candidate molecules and a scientific underpinning for developing anti-renal fibrosis drugs.

The anticancer activity of two novel microbial lipopeptide biosurfactants, amphisin and viscosinamide, was evaluated against human (A375) and murine (B16 4A5) melanoma cells. Normal human dermal fibroblasts (NHDFs) were used as a control. Cell viability was assessed using the MTT assay, while membrane integrity was analysed by the lactate dehydrogenase (LDH) release test. Early and late stages of apoptosis were investigated using Annexin V-FITC and Hoechst 33342 staining, respectively. In addition, the expression of apoptosis-related genes bax and bcl-2 was quantified by RT-qPCR. Finally, the wound healing (scratch) assay was performed to evaluate the effect of the tested lipopeptides on the migratory ability of melanoma cells. Both lipopeptides inhibited melanoma cell proliferation in a concentration- and time-dependent manner and exhibited significantly lower cytotoxicity toward NHDF cells, indicating selective antitumor activity. Viscosinamide exhibited stronger cytotoxic activity than amphisin. LDH release and fluorescence microscopy confirmed that the main mechanism of cytotoxicity was cell membrane damage and induction of apoptosis, including phosphatidylserine externalization and characteristic changes in the cell nucleus, such as chromatin condensation and cell nucleus fragmentation. Gene expression analysis demonstrated increased levels of bax and decreased levels of bcl-2, indicating activation of the intrinsic mitochondrial pathway of apoptosis. In addition, tested compounds effectively inhibited cell migration. The studies show that amphisin and viscosinamide exhibit selective anticancer potential related to the cell membrane and are promising molecules for further development as melanoma treatments.

Ultrafine W powder is a key material for manufacturing high-performance W-based products. In this study, ultrafine W powder was prepared via the H₂ reduction of carbon-containing WO₃, and the parameters of reduction temperature (740-830 °C) and C/WO₃ molar ratio (0.5-2.5) were mainly considered. The results demonstrated that, with the increase in reduction temperature, the reaction rate gradually increased, while the particle size of W powder exhibited a trend showing an initial decrease and then increase, with a minimum value of 146 nm at 770 °C. The results also showed that, with the increase in C/WO₃ molar ratio, the reaction rate gradually decreased, while the particle size of W powder also first decreased and then increased, with its minimum value at a C/WO₃ molar ratio of 1.0. The reduction pathways of H₂ reduction of WO₃ to W was given as WO₃→WO_2.9→WO_2.72→WO₂→W. Due to the co-actions of nucleating agent and the synergistic reduction effect, the particle size of W powder obtained by reducing carbon-containing WO₃ was smaller than that obtained by reducing pure WO₃, and a possible reaction mechanism was proposed.

This review is a collection of information on bioactive compounds found in the grain of different Triticum species, both old and modern. The whole wheat grain, as well as its parts, e.g., bran, contains compounds, such as phenolic acids, flavonoids, alkylresorcinols, benzoxazinoids, tocopherols, carotenoids, and others. These compounds differ in both their chemical structure and biological properties. There are significant differences in the content and composition of these compounds between Triticum species. Apart from the wheat species, there are many other factors influencing these differences, e.g., cultivars, environmental factors, growth conditions, and farming systems. The Triticum species the best researched and described in terms of the content of bioactive compounds are Triticum aestivum L., T. durum Desf., T. spelta L., T. turgidum L., T. monococcum L., T. dicoccum Schrank, T. timopheevii, and T. polonicum L.

The rapid development of organic chemistry in the early 19th century also saw the development of heterocyclic chemistry [...].

The overuse of antibiotics in animal husbandry is a primary driver of antimicrobial resistance, creating a pressing need for safe and effective natural alternatives. This study systematically evaluated the potential of the edible aromatic plant Elsholtzia cypriani as a comprehensive alternative by investigating its chemical composition, bioactivities, and preliminary safety. Methods included solvent extraction and systematic chromatographic fractionation from the plant aerial parts, complemented by a series of in vitro assays assessing anti-inflammatory, antioxidant, and antibacterial properties, along with an acute toxicity study. A total of thirty compounds were isolated and their structures were elucidated, including two new and twenty-eight known compounds reported for the first time in this species. Key isolates, such as ethyl caffeate and luteolin, demonstrated significant anti-inflammatory activity, antioxidant capacity, and antibacterial action against pathogens like Escherichia coli. Acute toxicity assessment revealed no adverse effects at the tested dosage. In conclusion, E. cypriani is rich in diverse bioactive compounds which exhibit direct antimicrobial, anti-inflammatory, and antioxidant activities in vitro, and shows a favorable preliminary safety profile. This work systematically establishes the chemical and pharmacological basis for this plant, highlighting its potential for further development and evaluation as a multifunctional natural feed additive.

Based on its rich information of chemical specificity, Raman spectroscopy has been widely applied for in vivo biomedical investigations. For extracting quantitative information of target constitution, it is imperative to establish a robust model for unveiling the relationship between spectral features with/without priori references. By integrating a variety of traditional machine learning and artificial neural network algorithms, an integrated Raman spectra analysis toolbox (AI-Assisted Raman Spectra Analysis Toolbox [AI-Raman] V 1.0) was developed for spectral processing, model training, and regression analysis by using MATLAB R2024a. Besides the utilization of back propagation artificial neural network and convolutional neural network algorithms, classical machine learning algorithms, such as partial least squares regression and support vector regression, were also compacted as the supporting functions of presented toolbox. A spectral dataset obtained from nailfold from different subjects was utilized to evaluated the feasibility and performance of the developed software, which demonstrated that the analysis software can predict glucose concentrations by in vivo Raman spectral measurement. With a friendly graphics interface, the analytical model can be customized and optimized for accomplishing the desired objectives, which will benefit many Raman-based inventions, especially for biomedical transformations.

Structural biomarkers determined by X-ray scattering of the tissues can complement conventional histopathology and facilitate a fast triage procedure of cancer biopsy samples. It has been shown previously that lipid reflexes can distinguish cancerous from benign samples, except for fibroadenomas. In the present study, we demonstrate that fibroadenoma samples can be recognized using X-ray scattering of collagen. Moreover, we show that modifications in collagen structure are manifested in the water reflexes. Examination of diffraction patterns from water using two-dimensional Fourier transformation and machine learning yields excellent classification metrics in both synchrotron images and laboratory diffractometer data.

Teff (Eragrostis tef) is a gluten-free cereal increasingly promoted as a functional food, yet the bioactive profile and mechanistic evidence of some varieties remain limited. This study characterized an ethanolic extract of white teff flour and evaluated its antioxidant and anti-inflammatory potential in vitro and in a rat model of acute inflammation. White teff flour was extracted by cold repercolation (1 g/mL; 70% ethanol). Total polyphenols and flavonoids were quantified spectrophotometrically, and phenolics were profiled by HPLC-DAD-ESI-MS. Antioxidant activity was assessed using DPPH, FRAP, H₂O₂ scavenging, and NO scavenging assays. In vivo, acute inflammation was induced with intramuscular turpentine in Wistar rats, testing teff extract therapeutically (post-induction) and prophylactically (10-day pretreatment), with diclofenac and Trolox as comparators. Serum oxidative stress biomarkers (TOS, TAC, OSI, AOPP, MDA, NOx, 3-NT, thiols) and inflammatory mediators (NFκB-p65, IL-1β, IL-18, caspase-1, IL-10) were measured. The extract showed low total polyphenols (0.044 ± 0.002 mg GAE/g d.w.) and higher flavonoids (11.83 ± 1.10 mg QE/100 g d.w.). Eighteen phenolics were identified (total 398.30 ± 1.48 μg/mL), dominated by flavone derivatives (notably apigenin- and luteolin-glycosides), while phenolic acids accounted for ~33.21%. In vitro antioxidant capacity was robust (DPPH 286.17 ± 11.52 μg TE/g d.w.; FRAP 263.17 ± 20.09 μg TE/g d.w.; H₂O₂ 214.12 ± 18.22 mg TE/g d.w.; NO 300.77 ± 28.71 mg QE/g d.w.). In vivo, turpentine provoked marked oxidative stress and inflammatory activation; teff, particularly at the highest concentration and in prophylaxis, reduced nitro-oxidative damage markers (AOPP, MDA, NOx, 3-NT) and lowered NFκB-p65, IL-1β, IL-18, and caspase-1, while IL-10 was not significantly altered. White teff flour ethanolic extract contains a flavone-rich phenolic profile and exerts measurable antioxidant and anti-inflammatory effects in an acute inflammation model, supporting its potential development as a nutraceutical candidate.

Estuaries are dynamic environments that influence the transport of metals and nutrients from land to sea, with suspended particulate matter (SPM) serving as a key vehicle for them. Laser-Induced Breakdown Spectroscopy (LIBS) offers a rapid, versatile, and non-destructive approach for multi-element analysis of SPM, allowing their direct measurement on collected filters without complex sample preparation. In this study, LIBS was applied to evaluate the spatio-temporal variability of major and trace elements (Si, Fe, Al, Ti, Na, Li, K, Rb, Ca, and Mg) along the Pacoti River estuary, Brazil, during rainy and dry seasons. Elemental patterns generally reflected the salinity gradient and tidal dynamics, highlighting element-specific behaviors with most elements showing inverse correlations with salinity, while Ca and Mg displayed positive correlations. These findings confirm the potential of LIBS as a powerful tool for environmental monitoring, providing rapid, high-throughput characterization of SPM and enabling an improved understanding of biogeochemical processes in estuarine systems.