Molecules最新文献

Its outstanding mechanical and thermodynamic characteristics make SrAl₂O₄ a highly desirable ceramic material for high-temperature applications. However, the effects of elevated pressure on the structural and other properties of SrAl₂O₄ are still poorly understood. This study encompassed structural, elastic, electronic, dynamic, and thermal characteristics. Band structure calculations indicate that the direct band gap of SrAl₂O₄ is 4.54 eV. In addition, the Cauchy pressures provide evidence of the brittle characteristics of SrAl₂O₄. The mechanical and dynamic stability of SrAl₂O₄ is evident from the accurate determination of its elastic constants and phonon dispersion relations. In addition, a comprehensive analysis was conducted of the relationship between specific heat and entropy concerning temperature variations.

Inflammation is critical in the development of acute liver failure (ALF). Peroxisome proliferator-activated receptor delta (PPARδ) regulates anti-inflammatory responses and is protective in several diseases such as obesity and cancer. However, the beneficial effects and underlying mechanisms of PPARδ agonist GW501516 in ALF remain unclear. This study investigated the molecular mechanisms underlying the anti-inflammatory effects of GW501516 in macrophages and assessed its protective potential against lipopolysaccharide (LPS)/galactosamine (GalN)-induced ALF. In vivo administration of GW501516 significantly reduced LPS/GalN-induced hepatotoxicity, as evidenced by lower mortality, decreased liver damage, and attenuated secretion of IL-1β, IL-6, and TNF-α. GW501516 treatment also decreased LPS-induced nitric oxide synthase 2 (NOS2) expression and nitric oxide (NO) production in RAW264.7 cells, an effect reversed by PPARδ siRNA. Additionally, GW501516 inhibited LPS-induced phosphorylation of p38 and c-Jun N-terminal kinase (JNK), suggesting that inactivation of these MAPKs contributes to its effects. The secretion of IL-6, TNF-α, and NF-κB DNA-binding activity were also suppressed by GW501516, while the nuclear translocation of the NF-κB p65 subunit was unaffected. In conclusion, our findings suggest that GW501516 exerts protective effects in ALF by inhibiting the production of inflammatory mediators. Therefore, GW501516 may act as a potential agent for developing anti-inflammatory therapies for ALF.

A d¹⁰-Cd cluster containing sandwich-type arsenotungstate [C₃H₁₂N₂]₆[Cd₄Cl₂(B-α-AsW₉O₃₄)₂] was synthesized and its structure characterized through elemental analyses, X-ray powder diffraction (XRPD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS), and single-crystal X-ray diffraction. The X-ray analysis revealed that the molecular unit of the compound consists of a captivating tetra-Cd-substituted sandwich-type polyoxoanion, accompanied by six elegantly protonated 1,2-diaminopropane as counter ions. The further novelty of the tetranuclear cadmium cluster lies in its occupied chlorine atom sites. This makes it highly susceptible to coordinate reactions with nitrogen on polycyclic aromatic hydrocarbons, thereby exhibiting different fluorescent signals that facilitate the identification and detection of these carcinogenic substances in methanol.

For metal-free low-dimensional ferromagnetic materials, a hopeful candidate for next-generation spintronic devices, investigating their magnetic mechanisms and exploring effective ways to regulate their magnetic properties are crucial for advancing their applications. Our work systematically investigated the origin of magnetism of a graphitic carbon nitride (Pca21 C₄N₃) monolayer based on the analysis on the partial electronic density of states. The magnetic moment of the Pca21 C₄N₃ originates from the spin-split of the 2p_z orbit from special carbon (C) atoms and 2p orbit from N atoms around the Fermi energy, which was caused by the lone pair electrons in nitrogen (N) atoms. Notably, the magnetic moment of the Pca21 C₄N₃ monolayer could be effectively adjusted by adsorbing nitric oxide (NO) or oxygen (O₂) gas molecules. The single magnetic electron from the adsorbed NO pairs with the unpaired electron in the N atom from the substrate, forming a N_sub-N_ad bond, which reduces the system's magnetic moment from 4.00 μ_B to 2.99 μ_B. Moreover, the NO adsorption decreases the both spin-down and spin-up bandgaps, causing an increase in photoelectrical response efficiency. As for the case of O₂ physisorption, it greatly enhances the magnetic moment of the Pca21 C₄N₃ monolayer from 4.00 μ_B to 6.00 μ_B through ferromagnetic coupling. This method of gas adsorption for tuning magnetic moments is reversible, simple, and cost-effective. Our findings reveal the magnetic mechanism of Pca21 C₄N₃ and its tunable magnetic performance realized by chemisorbing or physisorbing magnetic gas molecules, providing crucial theoretical foundations for the development and utilization of low-dimensional magnetic materials.

Sintering is a common phenomenon, which often takes place during the oxidation roasting process of molybdenite concentrate in multiple-hearth furnaces. The occurrence of sintering phenomena has detrimental effects on the product quality and the service life of the furnace. In this work, the influence of two key factors (roasting temperature and K content) on the sintering behavior is investigated using molybdenite concentrate as the raw material. Different technologies such as XRD, FESEM-EDS, and phase diagrams are adopted to analyze the experimental data. The results show that the higher the roasting temperature is, the greater the mass loss and the more serious the sintering degree will be. The results also show that with the increase in K content, the mass loss of the raw material is first increased and then decreased, while its sintering degree is still gradually increased. The sintering products obtained during the oxidation roasting process are often tightly combined with the bottom of the used crucible with a smooth and dense surface structure, while their internal microstructures are very complicated, which not only includes numerous MoO₃ species, but also unoxidized MoS₂, Mo sub-oxide, SiO₂, and a variety of molybdates. Among them, both MoO₃ and molybdates can be easily dissolved into the ammonia solution, leading to a residue mainly composed of SiO₂ and CaMoO₄. This study also finds that the sintering phenomenon is caused by the increase in local temperature and the formation of various low-melting-point eutectics. It is suggested that decreasing the roasting temperature and K content, especially the K content, are effective methods for reducing the sintering degree of molybdenite concentrate during the oxidation roasting process.

Metal sulfide-based composites have become increasingly common as materials used for electrodes in supercapacitors because of their excellent conductivity, electrochemical activity, and redox capacity. This study synthesized a composite of NiFeS@MoS₂@rGO nanostructure using a simple hydrothermal approach. The synthesized nanocomposite consisted of the composite of nickel sulfide and iron sulfide doped with MoS₂@rGO. A three-electrode cell is employed to investigate the electrochemical properties of the NiFeS@MoS₂@rGO electrode. The results demonstrated an optimal specific capacitance of 3188 F/g at 1.4 A/g in a 1 M KOH electrolyte. Furthermore, a supercapattery is designed utilizing NiFeS@MoS₂@rGO//AC as the positive electrode and activated carbon (AC) as the negative electrode materials. The resulting supercapattery is designed at a cell voltage of 1.6 V, achieving a specific capacity value of 189 C/g at 1.4 A/g. It also demonstrated an excellent energy density of 55 Wh/kg with an enhanced power density of 3800 W/kg. Furthermore, the hybrid device demonstrated remarkable stability with a cycling stability of 95% over 30,000 charge-discharge cycles at a current density of 1.4 A/g. The supercapattery, which has excellent energy storage capabilities, is used as a power source for operating different portable electronic devices.

In the present study, a heteromannan primarily composed of mannose, fucose, xylose, glucose, and arabinose at a molar ratio of 4.78:1.18:1:0.82:0.11 containing a low proportion of glucuronic acid with weight-average molecular weights of 3.6 × 10⁶ Da, named NTP, was prepared from the fruiting body of Tremella fuciformis. The anti-skin-aging effects of NTP on d-Galactose-induced aging mice and the biological mechanisms were investigated by an iTRAQ-based proteomics approach. NTP substantially mitigated skin aging characterized by a decreased loss of hydroxyproline and hyaluronic acid and reduced oxidative stress in the skin. Moreover, 43 differentially expressed proteins (DEPs) were identified in response to NTP, of which 23 were up-regulated and 20 were down-regulated. Bioinformatics analysis revealed that these DEPs were mainly involved in the biological functions of cellular and metabolic regulations, immune system responses, and structural components. The findings provided new insights into the biological mechanisms underlying the anti-skin-aging actions of T. fuciformis-derived polysaccharides and facilitated NTP applications in naturally functional foods.

Antimicrobial photodynamic inactivation (aPDI) offers a promising alternative to combat drug-resistant bacteria. This study explores the potential of lapachol, a natural naphthoquinone derived from Tabebuia avellanedae, as a photosensitizer (PS) for aPDI. Lapachol's photosensitizing properties were evaluated using Staphylococcus aureus and Escherichia coli strains under blue LED light (450 nm). UV-vis spectroscopy confirmed lapachol's absorption peak at 482 nm, aligning with effective excitation wavelengths for phototherapy. Photoinactivation assays demonstrated significant bacterial growth inhibition, achieving complete eradication of S. aureus at 25 µg·mL^-1 under light exposure. Scanning electron microscopy (SEM) revealed morphological damage in irradiated bacterial cells, confirming lapachol's bactericidal effect. This research underscores lapachol's potential as a novel photosensitizer in antimicrobial photodynamic therapy, addressing a critical need in combating antibiotic resistance.

A benzothiazole-based derivative aggregation-induced emission (AIE) fluorescent 'turn-on' probe named 2-(2-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)phenyl)benzo[d]thiazole (probe BT-BO) was developed and synthesized successfully for detecting hydrogen peroxide (H₂O₂) in living cells. The synthesis method of probe BT-BO is facile. Probe BT-BO demonstrates a well-resolved emission peak at 604 nm and the ability to prevent the interference of reactive oxygen species (ROS), various metal ions and anion ions, and good sensitivity. Additionally, the probe boasts impressive pH range versatility, a fast response time to H₂O₂ and low cytotoxicity. Finally, probe BT-BO was applied successfully to image A549 and Hep G2 cells to monitor both exogenous and endogenous H₂O₂.

This study investigated the development and optimization of sol-gel synthesized Ni/ZrO₂-Al₂O₃ catalysts, aiming to enhance the decomposition efficiency of CF₄, a potent greenhouse gas. The research focused on improving catalytic performance at temperatures below 700 °C by incorporating zirconium and tungsten as co-catalysts. Comprehensive characterization techniques including XRD, BET, FTIR, and XPS were employed to elucidate the structural and chemical properties contributing to the catalyst's activity and durability. Various synthesis ratios, heat treatment temperatures, and co-catalyst addition positions were explored to identify the optimal conditions for CF₄ decomposition. The catalyst composition with 7.5 wt% ZrO₂ and 3 wt% WO₃ on Al₂O₃ (3W-S3) achieved over 99% CF₄ decomposition efficiency at 550 °C. The study revealed that the appropriate incorporation of ZrO₂ enhanced the specific surface area and prevented sintering, while the addition of tungsten further improved the distribution of active sites. These findings offer valuable insights into the design of more efficient catalysts for environmental applications, particularly in mitigating emissions from semiconductor manufacturing processes.