A Pd-(II)-catalyzed cascade C-H activation/O-annulation strategy is developed for the efficient synthesis of succinimide-integrated tetracyclic pyranonaphthoquinones using 3-aryl-2-hydroxy naphthoquinones with maleimides or itaconimides as substrates. This methodology provides a fast and efficient approach to prepare diverse tetracyclic pyranonaphthoquinones featuring spirosuccinimides or succinimide motifs via [5 + 1] cycloaddition. Notably, one of the synthesized compounds exhibited high sensitivity and selectivity as a fluorescent chemosensor for Fe3+ ions, achieving a low detection limit of 30.07 × 10-9 M.

As the main constituent of Polygonum cuspidatum, polydatin (PLD) possesses a diverse array of pharmacological activities. However, its poor water solubility and stability pose substantial challenges to its efficient extraction and further development. Deep eutectic solvents (DESs) are highly suitable media tailored to the molecular properties of active ingredients as well as their extraction and developmental requirements. According to the thermodynamic analysis of COSMO-RS, betaine (Bet)-glycerol (Gly) was identified as the optimal DES. And the optimal extraction conditions were established as follows: 28:1 mL/g of liquid-material ratio, 54 min of extraction time, and 246 W of ultrasonic power. The PLD yield was 20.34 ± 0.55 mg/g, which was 2.1-fold higher than that of ethanol extraction. Furthermore, the underlying extraction mechanism is explored by SEM, FT-IR, 1H NMR, and molecular dynamics simulations. The primary driving force underlying the extraction of PLD via Bet-Gly interactions is hydrogen bonding. And the most negative interaction energy between PLD and Bet-Gly reached -994.72 kcal/mol, whereas the highest hydrogen bond abundance (36.05%) was observed between PLD and Gly. Moreover, the DES-based extract exhibited excellent antioxidant activity, noncytotoxicity, and superior stability, which offer compelling evidence for its safe and effective application in multiple biomedical domains. Hence, this study provided a robust theoretical foundation for advancing the rational design of DES and the sustainable application of excess plant resources.

This study conducted a systematic analysis of the abundance and isotopic geochemical characteristics of gallium (Ga) in coal and mudstone from the Huaibei region, aiming to reveal the distribution patterns, controlling factors, and geological significance of Ga in this area. Ten representative samples were selected from the Huainan-Huaibei Coalfield, and their Ga contents and isotopic compositions were accurately determined using advanced analytical techniques, including X-ray diffraction (XRD), inductively coupled plasma mass spectrometer (ICP-MS), and multicollector inductively coupled plasma mass spectrometer (MC-ICP-MS). The study revealed that the average Ga content in coal samples from the Huainan-Huaibei region was 9.4 ppm, while in mudstone samples, it was 30.2 ppm, indicating a relative enrichment of Ga in mudstone. The abundance differences stem from variations in mineral composition between coal and mudstone. Organic matter in coal predominantly limits Ga enrichment, whereas clay minerals in mudstone can adsorb and fix Ga. Significant differences were observed in the Ga isotope ratios (δ71Ga) between coal and mudstone, with coal samples averaging -1.32‰ and mudstone samples averaging -1.41‰. These differences may be related to the adsorption and bonding modes of organic matter, mineral composition, and diagenetic history. Further analysis revealed a certain correlation between the H/C ratio, an important indicator of coal metamorphism, and Ga content as well as its isotopic composition, reflecting the influence of metamorphism on the geochemical behavior of Ga. This study enhances our understanding of the geochemical behavior of Ga and provides a new tool for tracing regional geological events. Ga isotopes can reflect information on various geological processes, aiding in the understanding of sedimentary basin evolution and other aspects. This research holds significant implications for the development and utilization of Ga resources and geological studies.

Lithium-ion encapsulated fullerene (Li+@C60) represents a novel class of ionic endohedral metallofullerenes possessing distinct electronic properties, including high ionic conductivity and superior electron-accepting capabilities compared to pristine C60. While the "plasma shower" ion implantation method has enabled the continuous synthesis of Li+@C60, the industrial application of this material is currently impeded by a critical disparity between the theoretical synthesis yield and the actual recovered yield. Current extraction protocols typically recover only approximately 0.8% of Li+@C60, which is significantly lower than theoretical predictions. This study aims to rigorously quantify the Li+@C60 content in the postsynthesis crude soot to determine the true efficiency of the plasma shower synthesis and identify the physicochemical factors limiting extraction. We employed a multifaceted analytical approach combining Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR-MS), solid-state 7Li Nuclear Magnetic Resonance (NMR) spectroscopy, and Inductively Coupled Plasma (ICP) analysis. Quantitative analysis based on three independent synthesis runs (N = 3) reveals that the crude soot contains Li+@C60 at a mass percentage of 3.4 ± 0.1%. Furthermore, spectral analysis identified a significant abundance of oxidized derivatives (Li+@C60O, 4.3 ± 0.1%), indicating a total encapsulation efficiency of 7.7% ± 0.1%. Additionally, Transmission Electron Microscopy (TEM) revealed the formation of robust clusters with a median diameter of approximately 8 nm. Collectively, these findings confirm that the low recovery in conventional methods (∼0.8%) is not due to synthesis failure, but rather due to the formation of insoluble aggregates and oxidative derivatives. This report provides a detailed quantitative framework for evaluating Li+@C60 synthesis and proposes that optimizing physical disintegration techniques, such as dual-frequency ultrasonication, alongside strict oxidation control, is essential for bridging the yield gap.

When mobility control agents migrate over long distances in reservoirs, their mobility control ability varies with the distance from the injection well owing to shear degradation, adsorption, and retention. The mobility control ability of a chemical agent is commonly quantified using the resistance factor (RF). To investigate the variation in the RF with migration distance from an injection well, an 18-m-long artificial core was divided into ten segments herein, and the RFs of a polymer solution (partially hydrolyzed polyacrylamide; HPAM) and a polymer microsphere (PM) dispersion system flowing through each segment were independently measured. Experimental results showed that with increasing migration distance, the hydrodynamic radius (D h) and the RF of HPAM decreased continuously. Conversely, the particle size (d) and the RF of PMs initially increased and then decreased. Based on the observed RF variation, a dependency relationship was established between the RF and four parameters: the maximum resistance factor (RFM), migration distance (L), distance to peak RF (L 0), and decay coefficient (ω). Further analysis revealed that increasing the injection rate from 0.3 to 0.7 mL min-1 reduced the RFM of PMs from 29.7 to 24.6, and increased L 0 from 7.2 to 14.4 m and ω from 0.0166 to 0.0271 m-1, indicating a faster decline in the RF. Consequently, the projected RF at 100 m from the injection well (RF100) decreased from 7.1 to 3.3. When the PM concentration increased from 0.2 to 0.4 wt %, the RFM of the surfactant/polymer microsphere (S/PM) system increased from 16.2 to 41.3, L 0 remained constant at 10.8 m, ω increased from 0.0151 to 0.0179 m-1, and the projected RF100 increased from 5.0 to 9.2. When the migration distance L > 17.1 m, the projected RF of the S/PM system exceeded that of the PM system, with a projected RF100 difference of 2.3. These results demonstrated that the addition of surfactant extended the effective range of PMs. The proposed method provides a new approach for optimizing the selection and design of chemical mobility control agents.

2'-5'-Oligoadenylate synthetases (OAS) are crucial innate immune sensors that activate antiviral responses upon detecting viral double-stranded RNA. Understanding the molecular mechanism of OAS is vital for advancing immunomodulatory therapies. This study provides a detailed enzymatic mechanism of the OAS, integrating structural, kinetic, and quantum chemical analyses. Crystallographic data of the OAS1 postreactive complexes shed light on the geometry of OAS1 following product formation and dissociation, the sequential order of product release, and the pivotal role of divalent metal ions in catalysis. Our data reveal the unanticipated involvement of a third metal ion, which may play a transient supporting role in the catalytic cycle. Moreover, they highlight the central role of quantum mechanisms in the OAS function. Strikingly, substituting catalytic Mg2+ with Mn2+ ions increases the substrate binding rate 9-fold and activates OAS for catalysis. The results of this study are pertinent to the OAS/cGAS family of innate immune sensors and offer insights that can be applied to a broader class of nucleotidyltransferases, which play key roles in various biological processes.

This study investigates nonuniform hydraulic fracture propagation in vertically stacked thin coal seams with small interlayer spacing. A discrete element-based numerical model incorporating dynamic interlayer flow allocation was developed to simulate competitive fracture behavior. Key findings include: (1) As interlayer stress difference increases (from 1.5 to 4 MPa), fractures shift from interlayer penetration to coal seam propagation, with main seam fracture length growth dropping sharply (from 18.37-20.73% to 2.59-6.07%) and nonuniform propagation coefficient rising (from 0.06 to 0.33). When the leakoff coefficient increases (from 0.0005 to 0.0030 m/min0.5), the thinnest seam's fracture length reduces by 36.70% while its flow proportion increases (from 12 to 33%). (2) Flow allocation trends: higher stress difference favors thick seams; elevated leakoff benefits thin seams; increased thickness proportion advantages thick seams (11#flow: from 38 to 60%). (3) Due to significant physical property differences between coal seams and roof/floor rocks (coal elastic modulus: 5-12 GPa vs roof/floor elastic modulus: 25 GPa), fractures primarily extend along coal seams with strong roof/floor barrier effects (coal flow >90%). (4) Increased coal seam thickness proportion enhances the competitive advantage of thick seams, with the nonuniform propagation coefficient remaining at 0.28 and thin seam propagation being suppressed. This work provides a theoretical basis for optimizing multithin-layer coal seam fracturing. This work provides a theoretical basis for optimizing multithin-layer coal seam fracturing.

Metal oxide nanomaterials, such as TiO2, are extensively utilized in photocatalysis for applications, including water purification, antibacterial disinfection, and energy harvesting. However, the wide bandgap (∼3.2 eV) of TiO2 constrains excitation to UV light, limiting its efficiency under solar irradiation. To extend photocatalytic activity into the visible spectrum, colloidal semiconductor quantum dots (QDs) can function either as independent photocatalysts or as sensitizers; in the latter case, facilitating charge transfer to TiO2 and enhancing reactive oxygen species (ROS) generation. Here, we demonstrate a photocatalytic platform, composed of QD supraparticles (SP), optionally coated with a titania shell. This hierarchical SP architecture bridges the electronic and photonic scales, significantly enhancing light-harvesting efficiency compared to conventional QDs or metal oxide nanocrystals. The photocatalytic performance of these QD-based SPs is systematically evaluated under both UV and white light illumination, using rhodamine B (RhB) degradation as a model reaction, and compared to QDs and TiO2 nanoparticles. We find that SPs facilitate both RhB degradation and N-deethylation, with titania-coated SPs (SP/TiO2) achieving full transformation to Rhodamine 110. We also show that for QDs and SPs with comparable overall surface area, SPs degrade RhB much faster under both UV and white light irradiation. In addition, the reusability of the QD-based SPs is dramatically improved compared to that of QDs. These findings demonstrate the strong potential of QD-based SPs as photocatalytic materials for environmental, energy, chemical, and biomedical applications.

This study describes the development and evaluation of an economical, portable online monitoring system (OMSys) based on ESP32 Wi-Fi/Bluetooth technology, commercial sensors, and electronic measurement modules. The OMSys was designed for real-time evaluation of parameters such as the flow rate, temperature, and pH in a filtration/photocatalysis reactor used to degrade contaminants in treated water. The developed system allows simultaneous acquisition of all studied parameters at 2 s intervals and facilitates real-time data transmission via Wi-Fi, automatic storage, and real-time control (on/off) of other devices connected to the reactor, such as an LED irradiation source and a peristaltic pump, via a smartphone. The OMSys was evaluated in the degradation of venlafaxine (VEN) and used as a test model. Thanks to its performance, the OMSys facilitates the study of parameters that directly influence the degradation of emerging contaminants in real time, identifying critical stages in the water treatment process such as membrane stability (leaching). This enables real-time adjustments and improves the study's final performance, demonstrating an approximately 80% reduction in VEN concentration within 120 min, a response influenced by changes in pH and temperature throughout the experiment. This system can be integrated with other recirculating loops for a variety of applications. The versatility of the OMSys is also evident, as it allows the addition of new sensors to monitor other parameters of interest. Easy upgrades with the addition of modern components improve performance, reduce problems such as obsolescence, and minimize environmental impact.

Gasifying petroleum coke (petcoke) offers a promising route to low-carbon energy, hydrogen, and chemical intermediates. However, vanadium- and iron-rich slags aggressively corrode high-chromia refractories in entrained-flow gasifiers, shortening service life and increasing maintenance costs. To address this, we developed an in situ high-temperature X-ray diffraction (HT-XRD) protocol, which involved failure analysis of previous experiments, to attempt the measurement of dissolution kinetics at the liquid petcoke slag/solid high chromia refractory interface under gasifier-relevant conditions (1500 °C, 70% CO-30% CO2). Thermodynamic modeling (FactSage 8.3, 1100-1500 °C) predicted Pt stability under the defined conditions, and testing in a furnace on unstrained Pt under similar conditions confirmed these predictions; however, experiments performed on the Pt heating strip on an Anton Paar HTK2000 nonambient chamber contradicted these predictions with premature failure of the Pt heating strip. We believe this is related to interfacial reactions with slag/refractory species occurring under tensile stress. SEM-EDS confirmed Pt interdiffusion with Cr, Al, and Si. The addition of a MgO (110) single crystal between the Pt strip and the refractory eliminated this issue and provided a simple, low-cost solution that enabled stable isothermal runs up to just under 2 h. In theory, XRD peak-area decay of Cr2O3 should yield time-resolved consumption rates and enable accelerated screening of refractory and slag chemistries. In reality, we were unable to see a significant Cr2O3 XRD peak decay under the conditions achievable with the available instrumentation. Improvements in nonambient stage designsuch as enhanced thermal stability and longer high-temperature operation available on newer versions of this nonambient chamber from Anton Paar and lessons learned from this research could further expand the technique's utility across industrial corrosion studies.