Design and Synthesis of Hederagenin Derivatives for the Treatment of Sepsis by Targeting TAK1 and Regulating the TAK1-NF-κB/MAPK Signaling.

Sepsis is a systemic inflammatory response caused by infection and is a leading cause of death worldwide. We designed and synthesized a series of hederagenin analogues with anti-inflammatory activity. The most effective compound, , reduced the release of TNF-α and IL-6 in RAW264.

Vibronic Coupling and Multiple Electronic States Effect in ABS and ECD Spectra: Three [7]Helicene Derivatives.

Vibronic coupling and multiple electronic states effect play a pivotal role in the molecular spectroscopy of large systems. Herein, we present a detailed theoretical study on the absorption (ABS) and electronic circular dichroism (ECD) spectra of three [7]helicene derivatives in chloroform, with a particular emphasis on the significance of vibronic coupling and the multiple electronic states effect in spectral simulations. The vertical gradient (VG) and vertical Hessian (VH) models, incorporating the Franck-Condon (FC) effect and Herzberg-Teller (HT) contribution, are considered in the vibronic calculations.

Theoretically Guided Development of Excitation-Wavelength-Dependent Multifunctional Phosphor Based on Gallium Vacancy Perturbation.

Constructing multifunctional phosphors grounded in the intricate relationship between energy level structures and luminescent properties has captivated researchers in the luminescent material field. Herein, using the embedded cluster multiconfigurational ab initio method, the energy levels of Bi in the SrLaGaO host at different geometries were calculated, which results in the establishment of complete configurational coordinate curves, yielding breathing mode vibrational frequencies and equilibrium bond lengths for all excited states. These curves supply deep insight into the luminescence properties of Bi-doped phosphors and highlight the impact of ions in the second coordination sphere on luminescence.

Manganese(III)-Mediated Selective Cascade Phosphorylation-Cyclization of Tertiary Enamides for the Synthesis of Multi-Substituted 3-Phosphorylpyridines.

A novel regioselective manganese(III)-mediated radical cascade cyclization of N-propargyl enamides with various H-phosphine oxides, H-phosphinates and H-phosphonates was developed. Mechanistic studies show that the reaction is mainly composed of the selective addition of phosphonyl radical to C≡C bond and the intramolecular 6--trig cyclization of vinyl radical. Utilizing this protocol, we successfully synthesized a diverse range of 3-phosphorylpyridines in high efficiency with good functional group compatibility and simple operation.

Iron(III)-Mediated Nucleophilic Cascade Cyclization of Tertiary Enamides with Diselenides for the Construction of 3-Seleno-2-pyridones.

An iron(III)-mediated nucleophilic cascade cyclization of -propiolyl enamides with various diselenides was developed, which provides an efficient way to construct seleno-heterocycles. A mechanism study shows that the cascade process involves the selective addition of diselenides to the C≡C bond generating a seleniranium ion, followed by an intramolecular nucleophilic attack of enaminic carbon of tertiary enamide. Utilizing this protocol, a variety of 3-seleno-2-pyridones were successfully synthesized featuring good functional group compatibility and simple operation.

Fe diaspora titanium dioxide and graphene: A study of conductive powder materials and coating applications.

Developing new conductive primers to ensure electrostatic spraying is crucial in response to the call for lightweight production of new energy vehicles. We report a stabilized material, Fe-T/G, of Fe-doped TiO composite graphene synthesized by a simple hydrothermal and electrostatic self-assembly method. The resistivity decreases from 0.

User preference interaction fusion and swap attention graph neural network for recommender system.

Recommender systems are widely used in various applications. Knowledge graphs are increasingly used to improve recommendation performance by extracting valuable information from user-item interactions. However, current methods do not effectively use fine-grained information within the knowledge graph.

Bioinspired Smart Triboelectric Soft Pneumatic Actuator-Enabled Hand Rehabilitation Robot.

Quantitative assessment for post-stroke spasticity remains a significant challenge due to the encountered variable resistance during passive stretching, which can lead to the widely used modified Ashworth scale (MAS) for spasticity assessment depending heavily on rehabilitation physicians. To address these challenges, a high-force-output triboelectric soft pneumatic actuator (TENG-SPA) inspired by a lobster tail is developed. The bioinspired TENG-SPA can generate approximately 20 N at 0.

Metagenomic Reveals the Role of Autochthonous in the Fermentation and Flavor Formation of Dry Sausage.

The effect of SH4, a typical aroma enhancer, on flavor formation of the dry fermented sausage was investigated using gas chromatography-mass spectrometry and metagenomic sequencing. The results showed that inoculation with SH4 promoted volatile compound formation from carbohydrate and amino acid metabolism and accelerated ester synthesis. The enzymes, genes, and microorganisms involved in the formation pathway of volatile compounds based on microbial metabolism were predicted and constructed into a metabolic pathway network.

Ultrasonic Microfluidic Method Used for siHSP47 Loaded in Human Embryonic Kidney Cell-Derived Exosomes for Inhibiting TGF-β1 Induced Fibroblast Differentiation and Migration.

Idiopathic pulmonary fibrosis (IPF) is a chronic, progressive, and devastating lung disorder. In response to transforming growth factor-β (TGF-β), normal lung cells proliferate and differentiate into myofibroblasts, which are instrumental in promoting disease progression. Small interfering RNA (siRNA) targeting heat shock protein 47 (HSP47) has been demonstrated to alleviate IPF by blocking collagen synthesis and secretion.

A Unique Expression Profile Responding to Powdery Mildew in Wild Emmer Wheat D430.

Powdery mildew, caused by f. sp. (), is a disease that seriously harms wheat production and occurs in all wheat-producing areas around the world.

Effectiveness of Different Organic Solvent Additions to Water Samples for Reducing the Adsorption Effects of Organic Pesticides Using Ultra-High-Performance Liquid Chromatography-Tandem Mass Spectrometry.

This study systematically investigated the effect of organic solvent addition on the detection signal intensity of 15 organic pesticides in water using ultra-high-performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UHPLC-ESI-MS/MS). The analysis of chromatographic peak area ratios in ultrapure water (UPW) versus 30% methanol (MeOH)-UPW showed that the adsorption effects (AEs, mainly from injection vials with weaker polarity) were the main factor influencing the detection intensity of the organic pesticides. The AEs varied with pesticide type and concentration, especially for those with high logK values and longer retention times, such as malathion, triadimefon, prometryn, S-metolachlor, diazinon, and profenofos.

A Novel Molecularly Imprinted Electrochemiluminescence Sensor Based on Mxene Quantum Dots for Selective Detection of Oseltamivir in Biological Samples.

Oseltamivir is a drug that has been widely used to prevent and treat influenza A and B. In this work, an ultrasensitive, simple, and novel electrochemiluminescence (ECL) sensor combined with molecularly imprinted polymers (MIP-ECL) based on a graphene-like two-dimensional material, Mxene quantum dots (MQDs) was constructed to selectively detect oseltamivir. A molecularly imprinted polymer membrane containing an oseltamivir template was constructed by electropolymerization and elution of modified MQDs on a glassy carbon electrode.

Vibronic Effects Analysis of the Substituent Effect on the Spectral Properties of the EMI and CPL of Three [7]Helicene Derivatives.

The substituent effect has a significant influence on the optical properties of spectral shape, width, and wavelength, and the intensities of the maximum peaks of emission (EMI) and circularly polarized luminescence (CPL). In this work, we conducted a systematic theoretical study to investigate how substituents alter the optical response in the EMI and CPL spectra of three [7]helicene derivatives at the vibronic level. To incorporate the vibronic effect, a state-of-the-art time-dependent (TD) method was used to achieve the fully converged spectra.

Current research status, applications and challenges of ketorolac-based sustained-release and controlled-release formulations.

Ketorolac, a nonsteroidal anti-inflammatory drug, exhibits moderate antipyretic and anti-inflammatory properties, as well as potent analgesic effects. It is widely used in clinical practice for pain relief in cases of mild and severe pain such as postoperative pain, fractures, sprains, toothaches and cancer pain. Due to its relatively short half-life, patients experiencing pain often need frequent injections or oral medications, leading to poor patient compliance.

Mitochondrial uncouplers inhibit oncogenic E2F1 activity and prostate cancer growth.

Mitochondrial uncouplers dissipate proton gradients and deplete ATP production from oxidative phosphorylation (OXPHOS). While the growth of prostate cancer depends on OXPHOS-generated ATP, the oncogenic pathway mediated by the transcription factor E2F1 is crucial for the progression of this deadly disease. Here, we report that mitochondrial uncouplers, including tizoxanide (TIZ), the active metabolite of the Food and Drug Administration (FDA)-approved anthelmintic nitazoxanide (NTZ), inhibit E2F1-mediated expression of genes involved in cell cycle progression, DNA synthesis, and lipid synthesis.

Temperature has an enhanced role in sediment NO and N fluxes in wider rivers.

Riverine NO and N fluxes, key components of the global nitrogen budget, are known to be influenced by river size (often represented by average river width), yet the specific mechanisms behind these effects remain unclear. This study examined how environmental and microbial factors influenced sediment NO and N fluxes across rivers with varying widths (2.8 to 2,000 m) in China.

How Marine Megabenthos Fauna Responds to River Discharge and Artificial Flood in Large River Estuary.

Estuaries are ecologically sensitive areas influenced by river regulation. Knowledge of how marine megabenthos responds to river regulation and artificial flooding events remains limited. The study aims to provide a comprehensive understanding of the impacts of river regulation on marine megabenthic fauna.

Biomimetic fucoidan nanoparticles with regulation of macrophage polarization for targeted therapy of acute lung injury.

Acute lung injury (ALI) is a complex acute respiratory illness with a high mortality rate. Reactive oxygen species (ROS) play a pivotal role in ALI, inducing cellular damage, inflammation, and oxidative stress, thereby exacerbating the severity of the injury. In this study, inspired by the "subtractive" strategy, we developed a fucoidan-based macrophage membrane bio-nanosystem, abbreviated as MF@CB, designed as an anti-inflammatory and antioxidant agent to alleviate lipopolysaccharide (LPS)-induced inflammation in ALI.

Structure-based method for the discovery of selective inhibitors of PED 5 in erectile dysfunction therapy from the Pacific oyster peptides (Crassostrea gigas): Peptidomic analysis, molecular docking, and activity validation.

Erectile dysfunction (ED) is a male sexual disorder mainly caused by a reduction in the cellular concentration of cyclic guanosine monophosphate (cGMP), which is degraded by phosphodiesterase type-5 (PDE-5). Oyster protein (OP) and its hydrolysates have been used for centuries to address male erectile dysfunction, however the mechanisms and evidence supporting their efficacy remain unclear. In this study, OP was hydrolyzed using trypsin to produce peptides that inhibit PDE-5.

Rapid isolation of cytotoxic daphnane diterpenoids from Daphne altaica Pall. using MS-DIAL.

Daphnane diterpenoids occurring in plants of the Thymelaeaceae are the focus of natural product drug discovery because of the wide range of their therapeutically biological activities. Considering the limited occurrence in some plants of the Thymelaeaceae, it is imperative to design a strategy for the target isolation of daphnane diterpenoids. In this study, a strategy was developed to filter the data using MZmine, generate the molecular network using the Global Natural Product Social Molecular Network Platform (GNPS), and determine the retention time of target compounds using MS-DIAL.

Stabilizing Nickel-Copper Co-Deposition Electrochromism with the Assistance of Bromine Redox.

As an attractive optical/heat dynamic management technology, reversible metal electrodeposition/dissolution electrochromism (RME-EC) shows many advantages, including high optical modulation amplitude, wide modulation band, and color neutrality, but also suffers from performance degradation because of uneven dendritic metal deposition as well as the formation/accumulation of isolated metal debris. In this paper, a facile RME-EC system is established in a green and affordable aqueous electrolyte, by making good use of the nondendritic Ni-Cu codeposition. Furthermore, an in situ self-healing strategy is further established by activating the Br/Br couple of the Br-containing electrolyte to improve the EC performance.

Synthesis and Complex Dielectric Properties of BaSrSnO Ceramics with Thorn-like Microstructure.

In this study, we synthesized perovskite BaSrSnO ceramics with a unique thorn-like microstructure using the solid-state reaction method. The structural and complex dielectric properties were investigated in detail. X-ray diffraction was employed to characterize the phase purity, while X-ray photoelectron spectroscopy was used to analyze the chemical state of the components.

Low-Temperature Sintering and Microwave Dielectric Properties of CuZnTiZrNbO Ceramics with the Aid of LiF.

NbO-type ceramics (where = Mg, Ca, Mn, Co, Ni, Zn and = Ti, Zr) are essential for satellite communication and mobile base stations due to their medium relative permittivity () and high quality factor ( × ). Although ZnTiZrNbO ceramic exhibits impressive microwave dielectric properties, including an of 29.75, a × of 107,303 GHz, and a of -24.