The relatively low theoretical capacity of conventional cathodes has become one of the key bottlenecks in developing high-energy-density lithium batteries. Iron-(III) fluoride (FeF3) cathodes are viable candidates for next-generation energy storage applications by virtue of their elevated theoretical specific capacity derived from conversion-type electrochemistry; nonetheless, their practical realization remains critically impeded by intrinsically poor electronic transport properties and substantial volumetric dilation. Herein, we employed a microfluidic assembly strategy to develop an FeF3/reduced graphene oxide (rGO) composite fabric (FGF) electrode featuring a three-dimensional network structure. In this architecture, rGO sheets are interconnected to form confined spaces that tightly encapsulate FeF3 nanoparticles into egg-roll-like structural fibers, which are further bridged to create a porous network fabric structure. Benefiting from the high conductivity, excellent mechanical strength, and moderate sheet size of rGO sheets, the resulting three-dimensional network structure not only overcomes the low conductivity of FeF3, enabling rapid electron transport, but also effectively suppresses the volume expansion and dissolution-migration of FeF3 particles during charge-discharge processes. Consequently, the as-formed FGF The electrode demonstrated superior electrochemical behavior, maintaining 98% of its initial capacity across the current density range of 0.5-5 A·g-1. Following 1000 charge-discharge cycles at 0.7 A·g-1, the active material preserved a reversible specific capacity of 72 mAh·g-1. This work not only provides an effective strategy for iron fluoride-based conversion cathodes, but also offers insights into the structural regulation of graphene frameworks for high-energy-density lithium-ion batteries, highlighting the critical importance of fluorinated graphene architectures in next-generation cathode design.

Although a variety of novel strategies have been used to select antibody-producing cells efficiently either from natural B cell collections or from plasma cell collections postimmunization, the production of monoclonal antibodies against weak antigens with high affinity and special epitopes for diagnostic or therapeutic applications remains fraught with challenges and uncertainty. In this report, we proposed an effective method for generating monoclonal antibodies from rabbits by using histone deacetylase inhibitor (HDACi) to improve antibody gene diversity, particularly the diversity of the complementarity-determining regions (CDRs) which determines the specificity of the antibody. HDACi was encapsulated in nanoliposomes to form an immunomodulator, which was administered to neonatal rabbits during the ontogeny of the immune systems. It was observed that the number of antigen-specific plasma cells in these treated rabbits was increased, and more importantly, the antibody gene diversity, especially the CDRs, was proven to have increased after 3 times of antigen immunization compared with the untreated group, probably due to the promoted efficiency of gene conversion. The results indicated that the histone modification mediated by HDACi treatment has an effect of promoting diversification of the antibody genes in treated animals. The nanoliposomes as a carrier of HDACi helped to increase the utilization rate of the loaded drugs, reduce the total dosage of administrations, and extend the time interval between administrations, making the drug feasible for newborn animals. This new method enables animals to generate antibodies against different epitopes of weakly immunogenic antigens, such as peptide antigens, and makes it possible to select antibodies with better performance for subsequent application in diagnostic reagents.

Chalcones and natural product-based hybrids represent important scaffolds in the development of biologically active small molecules. In this study, a series of methoxy-substituted chalcone derivatives (1a-1i) and acetyl gypsogenin-based hybrid compounds (4a-4i) were synthesized and fully characterized by spectroscopic methods. The cytotoxic activities of all compounds were evaluated against five human cancer cell lines (PANC-1, MDA-MB-231, HeLa, A549, and SH-SY5Y) and the normal HEK293 cell line using the MTT assay. Several chalcone derivatives exhibited pronounced antiproliferative activity, whereas the corresponding gypsogenin-based hybrids generally showed reduced cytotoxic effects. Tumor selectivity was further assessed by calculating the selectivity index values. Antimicrobial activity was determined using minimum inhibitory concentration assays against selected bacterial and fungal strains, revealing moderate inhibitory effects for some compounds. In addition, molecular docking studies of the most active chalcones (1g and 1h) were performed to explore potential interactions with key cancer-related targets. Overall, the results highlight the chalcone scaffold as the main contributor to biological activity in this series and demonstrate that hybridization with gypsogenin did not enhance the cytotoxic potency.

Breast cancer-resistance protein (BCRP) functions as an efflux transporter, and its inhibition is an important pharmacokinetic parameter in drug-drug interactions (DDIs). In silico approaches that predict compound profiles from chemical structures are widely used in early drug discovery, and binary classification models have been developed for BCRP inhibition. While classification models distinguish inhibitors from noninhibitors, regression models provide numerical predictions that enable ranking. Additionally, there has been a growing demand for models with better interpretability. In this study, we aimed to construct regression models that can predict the IC50 values of BCRP inhibitory activity and to interpret the predicted results. Prediction models were built using a high-quality data set comprising 870 compounds with IC50 values obtained from publicly available sources, and the best model achieved an R 2 value of 0.736 on the test set. Although the model demonstrated satisfactory performance, the use of descriptors that were difficult to interpret was found to limit the explainability of its predictions. To overcome this problem, we applied a new set of machine learning models using only substructure-based fingerprints and a tree-based algorithm. The best model showed an R 2 value of 0.703 on the test set. Based on SHapley Additive exPlanations (SHAP) values, several substructures were identified as key features by the finalized model, and the prediction results revealed seven potential BCRP inhibitors among approved drugs. These models contribute to accelerating compound screening and reducing drug development costs, while also aiding in the exclusion of potential dropout candidates.

We report the first concise and efficient racemic total synthesis of (±)-Nobilin D, a bioactive bibenzyl natural product isolated from Dendrobium nobile. Our unified synthetic approach also provides access to (±)-Combretastatin, Moscatilin, and Erianin, all derived from a readily available bromoethyl-substituted norbornyl α-diketone precursor. The key steps involve a Grob fragmentation-aromatization sequence to yield a crucial aromatic ester intermediate, which is then subjected to Baeyer-Villiger oxidation, O-methylation, dehydrohalogenation, and epoxidation to generate highly substituted styrene epoxides. Subsequent regioselective aryl-organolithium epoxide opening, followed by Pd-C/H2 hydrogenolysis, enables the efficient assembly of all four target natural products. This work not only provides the first synthetic access to Nobilin D but also allows for unambiguous structure confirmation by X-ray crystallography. Furthermore, our strategy establishes a scalable platform for the preparation of pharmacologically relevant bibenzyl scaffolds, facilitating future structure-activity relationship (SAR) studies.

Coal facies differentiation is a primary control on the development of pore-fracture systems in coal reservoirs. Using samples from diverse sedimentary environments of the Jurassic Yan'an Formation in the Ningdong Coalfield, this study integrates coal petrological analysis, multiscale pore characterization, and rock mechanical testing to examine the characteristics of pore-fracture development as constrained by coal facies. The results indicate that the study area developed four types of peat swamps: wetland herbaceous peat swamp (WLHPS), dry forest peat swamp (DFPS), moist forest peat swamp (MFPS), and shallow-water covered forest peat swamp (SWCFPS), with DFPS being dominant. Among primary pores, cellular pores are most developed in WLHPS (mean 12.68 μm), whereas pores in forest peat swamps (including DFPS, MFPS, and SWCFPS) are smaller. For mineral-related pores, intercrystalline pores dominate in WLHPS (mean 12.36 μm), while dissolution pores are well-developed in DFPS. Pore structure analysis reveals that forest peat swamps exhibit higher pore volumes (0.12-0.16 cm3/g) than WLHPS (0.06 cm3/g), with SWCFPS containing the highest proportion of macropores. Average specific surface area is also greater in forest peat swamps than in WLHPS. Analysis of the fracture system indicates that WLHPS has lower porosity but the smallest proportion of isolated pores. Cleat fractures are well-developed in DFPS, although partial mineral filling reduces pore connectivity. MFPS exhibits the best pore connectivity (CT-connected porosity: 16.39%). Mechanical response analysis shows that elastic modulus decreases with increasing water coverage depth, while rigid minerals such as calcite and pyrite significantly enhance deformation resistance. Coal facies are the core controlling factor of the pore-fracture system: SWCFPS, characterized by high pore volume, preferential formation of connected macropores, and moderate gelification, represents the optimal reservoir for coalbed methane (CBM) development; the high-connectivity cleat system in DFPS requires mitigation of mineral filling risks; and the low pore volume and isolated pores in WLHPS constrain its seepage capacity.

Protein glycosylation is essential, as variations in glycan structures can influence the structural stability, biological activity, and therapeutic performance of proteins. The complexity of glycoproteins typically requires advanced analytical approaches for structural determination. Removal of glycans from glycoproteins simplifies the analysis of proteins and enables characterization of glycosylation sites and polypeptide structures. In this study, we evaluated the performance of an immobilized enzyme reactor (IMER) containing peptide N-glycosidase from Rudaea cellulosilytica (PNGase Rc) for online deglycosylation of monomeric intact glycoproteins. We selected human haptoglobin, human transferrin, anti-hHD6, bevacizumab, and trastuzumab as model substrates. The results demonstrate that the PNGase Rc IMER enables rapid and efficient online deglycosylation of glycoproteins and antibodies bearing complex sialylated and core-fucosylated glycans, highlighting its potential in bioanalytical workflows, quality control during biopharmaceutical development, and stability tests.

Excessive production and indiscriminate use of organic pollutants have caused severe environmental imbalances. Heterogeneous photocatalysis has emerged as a promising approach for the degradation of these contaminants. However, the development of photocatalysts with high activity and stability remains a key challenge. This work describes the hydrothermal synthesis of ZnO-based photocatalysts, carried out at different temperatures (25, 100, 150, and 200 °C), followed by an evaluation of their performance as photocatalysts in the degradation of organic pollutants (methylene blue, rhodamine B, amiloride and ciprofloxacin). ZnO samples exhibited rod-like morphology, especially in the samples synthesized at 100 °C. The ZnO-100 sample showed greater efficiency in the photodegradation of all organic pollutants. The enhanced performance can be attributed to its highest specific surface area and phase mixture between ZnO and Zn-(OH)2. The phase transition from zinc hydroxide to ZnO may have influenced the formation of a morphology that enhanced photocatalytic activity. Fluorescence analysis using terephthalic acid (TA) as a probe for OH•, combined with radical scavenging experiments, revealed that O2 -• play the dominant role in the photocatalytic degradation process, indicating an indirect reaction mechanism. This mechanism is consistent with the observed nonselectivity of the ZnO samples in removing pollutants from different chemical classes. The ZnO sample exhibited good stability over four consecutive reuse cycles and maintained high photocatalytic activity across a broad pH range (4-9). Overall, the hydrothermal method proved effective for producing ZnO nanorods with high photocatalytic performance for organic pollutant degradation.

This study focuses on the chemical modification of known 2,6,9-trisubstituted purine cyclin-dependent kinase (CDK) inhibitors as model compounds, with particular emphasis on the incorporation of the less-explored tert-butyl group (representing tert-alkyl substituents) at the N7 and N9 positions of the purine core to prepare 2,6,7- and 2,6,9-trisubstituted analogs. Primarily chemical aspects of these modifications are studied, focusing on the effect of the tert-butyl group on chlorine reactivity at C2/C6 position and purine ring stability during substitution reactions, especially in the case of 2,6,7-trisubstituted compounds. The effect of the tert-butyl group is also evaluated in comparison with other substituents at the purine ring. Furthermore, a novel and unambiguous synthetic route to key intermediates -7 and 9-(tert-butyl)-2,6-dichloropurines-has been developed by a new method to enable targeted substitution at the chlorine-bearing positions.