The utilization of nanomaterials in biomedical applications has surged in recent years; yet, the transition from research to practical implementation remains a great challenge. However, a promising area of research has emerged with the integration of nanomaterials with diagnostic and therapeutic radionuclides. In this Review, we elucidate the motivations behind selecting metal oxide- and phosphate-based nanomaterials in conjunction with these radionuclides, while addressing its issues and limitations. Various metal oxide- and phosphate-based nanoparticles, exhibiting low toxicity and high tolerability, have been proposed for diverse biomedical applications, ranging from bone substitutes to drug delivery systems and controlled release vectors for pharmaceuticals, including radionuclides for nuclear medicine imaging and therapy. Moreover, the potential synergistic effects of multimodal combinational therapies, integrating chemotherapeutics, immunomodulators, or hyperthermia, underscore the versatility of these nanoconstructs. Our comprehensive exploration includes the underlying principles of radiolabeling strategies, the pivotal attributes of nanomaterial platforms, and their applications. Through this perspective, we present the potential of nanotechnology-enabled nuclear medicine. Furthermore, we discuss the potential systemic and local applications of these nanoconstructs, considering their in vitro and in vivo characteristics, as well as their physicochemical properties.

Phosphogypsum (PG) is an industrial hazardous waste product discharged during wet-process phosphoric acid production. Once crystallized, the byproduct PG is filtered and separated from the liquid-phase product and sluiced to the disposal area near the production site for storage, seriously threatening the harmonious symbiosis between humans and nature. Therefore, devising effective solid waste management and cleaner production programs to contain and eliminate PG is of interest to researchers. In this study, the utilization status of PG is comprehensively reviewed, and a feasibility pathway for resourceful recovery of PG is proposed. The key challenges and countermeasures for the high-temperature calcination and decomposition of PG are analyzed and discussed. The visualization analysis based on bibliometrics reveals that the maximum recovery of abundant calcium (as CaO) and sulfur (as SO₂) in PG and their utilization for the copreparation of calcium-based materials and sulfuric acid are the most suitable solutions for the large-scale application of PG. Five challenges that restrict the commercial promotion of PG calcination and decomposition processes are perfecting the calcium–sulfur conversion mechanism, establishing a process strengthening strategy, developing value-added technology routes, mastering unit scale-up regularity, and conducting sustainable performance assessment. Industrial applications are expected within 10–15 years.

In this study, a series of novel thiazol-2(3H)-imine (2a–2j) were designed, synthesized, and characterized by means of ¹H NMR, ¹³C NMR, and HRMS spectral analyses. In vitro antifungal activity was performed using a modified EUCAST protocol. Two of the synthesized compounds (2d and 2e) showed activity against Candida albicans and Candida parapsilosis. Compound 2e showed activity against C. parapsilosis (MIC₅₀ = 1.23 μg/mL) for 48 h. This value is very similar to ketoconazole. The dynamic analysis of the potential compounds 2d and 2e revealed notable stability while interacting with the 14α-demethylase enzyme substrate. The absorption, distribution, metabolism, and excretion (ADME) studies of the candidate compound showed acceptable ADME parameter data and verified their drug-likeness characteristics. According to the results of this study, compound 4-(4-fluorophenyl)-N-(3-morpholinopropyl)-3-phenylthiazol-2(3H)-imine (2e) and its derivatives as 14α-demethylase inhibitors can be used as a new antifungal for further structural improvements and additional research.

An easy and efficient approach for the synthesis of highly regioselective functionalized dihydronaphthalen-1(2H)-one family of α-tetralones from functionalized tetralone precursors which derived from Morita–Baylis–Hillman (MBH) adducts as starting substrates has been developed. The target dihydronaphthalen-1(2H)-ones are obtained through the oxidation of tetrahydronaphthalenes (THN) using DDQ as the oxidizing agent, conducted in aqueous acetic acid at reflux conditions. The yields obtained ranged from 90 to 98%. The resulting dihydronaphthalen-1(2H)-ones were evaluated for their in vitro antibacterial activity against nine Gram-positive and six Gram-negative strains. Additionally, their antifungal properties were assessed against three fungal pathogens by using the microdilution method and Biolog Phenotype Microarrays technology. Remarkably, the synthesized dihydronaphthalen-1(2H)-ones exhibited good antibacterial activity when compared to reference drugs such as vancomycin and ampicillin. Similarly, their antifungal activity is comparable to the effectiveness of the reference drugs cycloheximide and fluconazole.

With an efficient atom economy, low activation energy, and valuable applications for fuel cells and hydrogen storage, formic acid (FA) is a useful fuel product to convert CO₂ and reduce emissions. Although metal catalysts are typically used for this conversion, unwanted side reactions remain a concern, particularly when products are attempted to be recovered long-term. In this study, an enzymatic catalyst is used to enable the selective conversion of CO₂ to FA, as a formate ion. A dual-cell flow reactor system is used to first reduce a charge mediator electrochemically (reduction cell), which then activates a catalyst to selectively convert CO₂ to formate (production cell). This approach minimizes enzyme degradation by avoiding direct contact with increased voltages and improves the quantity of formate produced. The system produced 25 mM of formate and reached over 50% Coulombic efficiency. The larger volume of this dual-cell system increases the quantity of formate produced beyond that of a batch cell. Additional design configurations are employed, including a pH control pump to maintain catalyst activity and a packed bed reactor to improve contact of the charge carrier with the catalyst. Both configurations retained higher production and efficiency long-term (∼168 h). The results highlight the challenges of developing a system where many parameters play a role in optimizing performance. Nevertheless, the ability of the system to produce formate from CO₂ demonstrates the potential to improve upon this configuration for a variety of electrochemical CO₂ conversion applications.

The Shuiyindong deposit is one of the ultralarge Carlin-type gold deposits in Southwest Guizhou Province, China. Gold mineralization mainly occurs in the Permian Longtan Formation and the early Triassic Yelang Formation. It is controlled by both strata and faults. Detailed studies of the mineralogy and geochemistry characteristics of the Shuiyindong deposit are conducted to investigate the ore-forming process. Arsenian pyrite and arsenopyrite are the main Au-hosting minerals. Three types of pyrite can be recognized, including euhedral and subhedral pyrite, framboidal pyrite, and bioclastic pyrite. The euhedral and subhedral pyrite is the main Au-hosting type. The Au appears as a solid solution (Au⁺) and natural nanoscale gold (Au⁰) in the sulfide minerals. The Co/Ni ratios of sulfides (0.07–3.13) reveal that the ore-forming fluids were mainly affected by hydrothermal activity, but magmatic activity cannot be excluded. Organic matter in the ores is abundant (0.11–3.04%), which might provide sulfur for pyrite and favor an increase in the porosity and permeability of the host rocks by releasing organic acids. The REE and trace element results suggest that halogens (F and Cl) were contained in the reducing magmatic hydrothermal fluids. The sulfur isotopic data (from −8.64‰ to 27.17‰) suggest that the source of sulfur is complicated and is probably a combination of a magmatic source, the reduction of marine sulfate, and bacterial sulfate reduction. The Pb isotopic data of the sulfides indicate that Pb is from a mixture of crust and mantle sources. The obvious enrichment zones exist along the boundary faults in the geochemical map of As, implying that As may originate from the deep crust and then move to the strata with basinal fluids. By combining these results, it can be inferred that the ore-forming fluids were a mixture of basinal and deep source fluids. A probable ore-forming model of the Shuiyindong gold deposit is established.

To address the challenges associated with the high gas content, high pressure, and low permeability coefficient in deep coal seams, strategies such as infilling boreholes and increasing the negative pressure of extraction are commonly implemented to alleviate issues related to coalbed methane extraction. However, long-term mining pressure can lead to the development of cracks in the coal seam near the borehole, thereby creating air leakage channels, which could potentially impact the oxygen supply during the extraction process. This leads to secondary disasters such as the spontaneous combustion of coal and gas explosions, considerably impacting the life and health of underground workers. To solve this issue, a thermal–fluid–solid coupling model for the working surface was constructed based on numerical simulation software, taking into account the multimechanism coupling effect of coal seam gas. The laws of coal oxidation and spontaneous combustion induced by coalbed methane extraction around boreholes were studied. The variation laws of the oxygen concentration, coal temperature, and oxidation heating zone around the borehole under different extraction conditions were simulated and analyzed. The findings demonstrate that the negative extraction pressure enables the gas to penetrate the fracture zone of the borehole, leading to an increase in the oxygen consumption rate and coal temperature around the borehole with an increase in negative extraction pressure. The coal gas leakage surrounding the borehole reduces as the sealing depth increases, and both the heating rate of coal and oxygen volume fraction show a downward trend. The fitting relationship between the negative pressure of drainage, depth of sealing, and temperature change in the coal body surrounding the boreholes was identified. It was determined that the negative pressure of 13 kPa for borehole drainage and a sealing depth >18 m are the optimal extraction parameters. The range of the oxidation zone and the position of the boundary line under this parameter were predicted, and the position function of the dangerous area of oxidation heating was defined. The research results have remarkable implications for the coordinated prevention and control of gas and coal spontaneous combustion in coalbed methane predrainage boreholes, as well as for efficient prevention and control of CO in on-site gas extraction boreholes, thus ensuring efficient and safe gas extraction.

Ischemia/reperfusion (I/R) injury leads to apoptosis and extensive cellular and mitochondrial damage, triggered by the early generation and subsequent accumulation of mitochondrial reactive oxygen species (mtROS). This condition not only contributes to the pathology of I/R injury itself but is also implicated in a variety of other diseases, especially within the cardiovascular domain. Addressing mitochondrial oxidative stress thus emerges as a critical therapeutic target. In this context, our study introduces an indole-peptide-tempo conjugate (IPTC), a compound designed with dual functionalities: antioxidative properties and the ability to modulate autophagy. Our findings reveal that IPTC effectively shields H9C2 cardiomyocytes against hypoxia/reoxygenation (H/R) damage, primarily through counteracting mtROS overproduction linked to impaired mitophagy and mitochondrial dysfunction. We propose that IPTC operates by simultaneously reducing mtROS levels and inducing mitophagy, highlighting its potential as a novel therapeutic strategy for mitigating mitochondrial oxidative damage and, by extension, easing I/R injury and potentially other related cardiovascular conditions.

Chitosan-based scaffolding possesses unique properties that make it highly suitable for tissue engineering applications. Chitosan is derived from deacetylating chitin, which is particularly abundant in the shells of crustaceans. This study aimed to extract chitosan from shrimp shell waste (Macrobrachium rosenbergii) and produce biocomposite scaffolds using the extracted chitosan for cartilage tissue engineering applications. Chitinous material from shrimp shell waste was deproteinized and deacetylated. The extracted chitosan was characterized and compared to commercial chitosan through various physicochemical analyses. The findings revealed that the extracted chitosan shares similar trends in the Fourier transform infrared spectroscopy spectrum, energy dispersive X-ray mapping, and X-ray diffraction pattern to commercial chitosan. Despite differences in the degree of deacetylation, these results underscore its comparable quality. The extracted chitosan was mixed with agarose, collagen, and gelatin to produce the blending biocomposite AG-CH-COL-GEL scaffold by freeze-drying method. Results showed AG-CH-COL-GEL scaffolds have a 3D interconnected porous structure with pore size 88–278 μm, high water uptake capacity (>90%), and degradation percentages in 21 days between 5.08% and 30.29%. Mechanical compression testing revealed that the elastic modulus of AG-CH-COL-GEL scaffolds ranged from 44.91 to 201.77 KPa. Moreover, AG-CH-COL-GEL scaffolds have shown significant potential in effectively inducing human chondrocyte proliferation and enhancing aggrecan gene expression. In conclusion, AG-CH-COL-GEL scaffolds emerge as promising candidates for cartilage tissue engineering with their optimal physical properties and excellent biocompatibility. This study highlights the potential of using waste-derived chitosan and opens new avenues for sustainable and effective tissue engineering solutions_.

The Early Cretaceous clay-rich facies of the Sembar Formation represent the most significantly occurring organic-rich sediments in the Southern Indus Basin of Pakistan. In this study, detailed geochemical research of total organic carbon, biomarker, mineralogy and trace elemental compositions, together with kerogen microscopic analysis, were carried out and used to understand the organic matter input and the dispositional environmental setting of the organic-rich Sembar shale. The Sembar shales have high organic matter, as indicated by the total organic carbon (TOC) content of up to 2.31 wt %. These shales contain a high abundance of liptinites (i.e., alginite and bituminite), with significant reactive vitrinite maceral, reflecting a mixed-organic matter with a high contribution of marine-derived input. The biomarker distributions evidence the finding of mainly marine organic matter. The biomarker characteristics such as Pr/Ph, Pr/n-C₁₇, Ph/n-C₁₈, and tricyclic terpane ratios together with C₂₇–C₂₉ regular sterane distributions show that the source of organic matter was primarily marine-derived from mainly phytoplankton algae, along with amounts of land plant input, and accumulated under a low oxygenated environment. The Sembar shale facies are characterized by high Mo trace element content and high V/Ni and Mo/TOC ratios, suggesting anoxic and nonsulfidic environmental conditions during time deposition. The geochemical proxies such as the Sr/Ba ratio and gammacerane/C₃₀ hopane (G/C₃₀) index suggest that the Sembar shale facies were deposited in a relatively low moderate stratified water column. The higher gallium (Ga) than rubidium (Rb), with high Ga/Rb ratios, indicates a high abundance of the kaolinite mineral, thereby deducing the subaerial weathering during the warm and humid climatic conditions. In this case, these warm and humid climatic conditions cause an influx of masses of nutrients, which could be attributed to increasing marine primary bioproductivity. These large masses of nutrients into the photic zone are also attributed to the presence of the upwelling system during the deposition time. Therefore, such conditions of bioproductivity and preservation of organic matter (OM) resulted in the accumulation of organic carbon in the shale facies of the Early Cretaceous Sembar Formation.

This research endeavor deals with the development of an epoxy hybrid nanocomposite using aliphatic diglycidyl ether of a bisphenol A (DGEBA) epoxy matrix. The formulation used the stoichiometric ratio of the curing agent and incorporated nanopigments such as zirconium and silica, along with other microfillers. We incorporated Zr and SiO₂ nanoparticles and various other additives in the epoxy matrix and ensured homogeneous dispersion by using sonication methodology along with silane as a coupling agent. Aluminum molds were utilized to fabricate dumbbell-shaped ASTM standard samples for the testing of mechanical properties. The adhesive properties were evaluated through standard lap shear tests. Fourier transform infrared spectroscopy was utilized to analyze the cross-linking reaction of the epoxy moiety and the polyamidoamine adduct curing agent. Further characterization using field emission scanning electron microscopy, energy-dispersive spectroscopy, and high-resolution transmission electron microscopy confirmed the presence and uniform dispersion of the fillers and nanopigments. The results showed good enhancements in ultimate tensile strength, yield strength, and elastic modulus of 95.3, 162.1, and 425.4%, respectively, compared to formulations using only SiO₂. The addition of ZrO₂ and SiO₂, along with various microfillers, such as talc and aluminum silicate, led to significant improvements in the mechanical properties. This study demonstrates the synergistic efficiency of combining SiO₂ and ZrO₂ along with microfillers, such as talc and aluminum silicate, in epoxy resin for diverse applications in the construction industry, where mechanical strength and substrate adhesion are crucial.

Biofouling is one of the key factors which limits the long-term performance of seawater sensors. Common measures to hinder biofouling include toxic paints, mechanical cleaning and UV radiation. All of these measures have various limitations. A very attractive solution would be to prevent biofilm formation by changing the surface structure of the sensor. This idea has been implemented successfully in various settings, but little work has been done on structuring optically transparent materials, which are often needed in sensor applications. In order to achieve good antibiofouling properties and efficient optical transparency, the structuring must be on the nanoscale. Here, we investigate a transparent, antibiofouling surface obtained by patterning a semihexagonal nanohole structure on borosilicate glass. The nanoholes are approximately 50 nm in diameter and 200 nm deep, and the interparticle distance is 135 nm, allowing the structure to be optically transparent. The antibiofouling properties of the surface were tested by exposing the substrates to the microalgae Phaeodactylum tricornutum for four different time intervals. This species was chosen because it is common in the Norwegian coastal waters. The tests were compared with unstructured borosilicate glass substrates. The experiments show that the nanostructured surface exhibits excellent antibiofouling properties. We attribute this effect to the relative size between the structure and the biofouling microorganism. Specifically, the small dimensions of the nanoholes, compared to the biofouling microorganism, make it more difficult for the microalgae to attach. However, lubrication of the substrates with FC-70 perfluorocarbon resulted in contamination at a rate comparable to the reference substrate, possibly due to the chemical attractiveness of the alkane chains in FC-70 for the microalgae.

Preventing microbial infections and accelerating wound closure are essential in the process of wound healing. In this study, various concentrations of carvacrol (CA) were loaded into polyacrylonitrile/poly(ethylene oxide) (PAN/PEO) nanofiber membranes to develop potential wound dressing materials via an electrospinning technique. The morphology and structure of the PAN/PEO/CA nanofiber membrane were analyzed by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR), respectively. Subsequently, antimicrobial performance testing showed that the PAN/PEO/CA nanofiber membrane exhibited antimicrobial activity in a concentration-dependent manner. Moreover, SEM and transmission electron microscopy revealed that the number of Staphylococcus aureus decreased significantly and the microstructure of the biofilm was seriously damaged. Next, compared with the control and PAN/PEO groups, the PAN/PEO/5% CA group in a full-thickness skin infection model not only exhibited reduced wound exudate on day 2 after infection but also displayed a greater ability to achieve complete skin regeneration, with faster wound healing. Finally, the Kyoto Encyclopedia of Genes and Genomes pathway analysis revealed that the downregulated differentially expressed genes between PAN/PEO- and PAN/PEO/5% CA-treated S. aureus were enriched in the two-component system and S. aureus infection. In conclusion, the antimicrobial materials of PAN/PEO/CA inhibited microbial growth and promoted wound healing with potential applications in the clinical management of wounds.

This study investigated the bioactive potential of Rhus alata, a plant known for its rich phytochemicals. A previously unreported compound was isolated from R. alata and characterized using various spectroscopic techniques (IR, UV, NMR, MS) and confirmed for the first time by X-ray crystallography. In isolated compound 1, noncovalent interactions between H···H/H···H, C···C/C···C and O···H/H···O play a major role in its packing arrangement. This observation is consistent with the results of Hirshfeld surface analysis, which quantified these interactions as 14.2%, 84.6%, and 1.2%, respectively. The isolated compound was identified as lantabetulic acid (1) (3β,25-expoxy-3α-hydroxylup-20(29)-en-28-oic acid). To understand its potential biological interactions, the binding affinity of lantabetulic acid to biomolecules such as bovine serum albumin (BSA), and human serum albumin (HSA), was assessed. The results showed significant binding efficacy, indicating potential interactions with these molecules. Furthermore, the DPPH assay demonstrated the potent antioxidant activity of this compound. We used in silico molecular docking to clarify the binding affinity between lantabetulic acid and a particular receptor. Furthermore, molecular dynamic simulation studies also explored the binding interaction. As well, MM/GBSA calculations corroborate the simulation results and the stability of the complex. Docking and dynamics studies revealed promising binding scores, suggesting further investigation into their potential therapeutic applications. Geometric parameters and the absorption spectrum of compound 1 were also determined using the DFT approach and compared with experimental findings.

Primary hyperoxalurias (PHs) represent rare diseases associated with disruptions in glyoxylate metabolism within hepatocytes. Impaired glyoxylate detoxification in PH patients results in its accumulation and subsequent conversion into oxalate, a process catalyzed by the hepatic lactate dehydrogenase A enzyme (hLDHA). Targeting this enzyme selectively in the liver using small organic molecules emerges as a potential therapeutic strategy for PH. However, achieving selective hepatic inhibition of hLDHA poses challenges, requiring precise delivery of potential inhibitors into hepatocytes to mitigate adverse effects in other tissues. Our recent efforts focused on the design of polymeric micelle nanocarriers tailored for the selective transport and release of hLDHA inhibitors into liver tissues. In this study, we synthesized and assessed the internalization and disaggregation dynamics of chitosan-based polymeric micelles in both hepatic and nonhepatic cell models using live-cell imaging. Our findings indicate that lactonolactone residues confer internalization capacity to the micelles upon exposure to cells. Moreover, we demonstrated the intracellular disaggregation capacity of these nanocarriers facilitated by the cystamine redox-sensitive linker attached to the polymer. Importantly, no cytotoxic effects were observed throughout the experimental time frame. Finally, our results underscore the higher selectivity of these nanocarriers for hepatic HepG2 cells compared to other nonhepatic cell models.

In this study, urea–formaldehyde resins containing different phosphate-based flame retardants (FRs) were prepared to produce wood-based panels (medium-density fiberboard, particleboard, and veneer board), and their flammability properties were investigated. The changes in the gelation times were investigated when the phosphate-containing FRs used in different amounts were mixed with the resin. Chemicals that have both hardener and flame-retardant properties at the same time have been studied. In addition, the pH and thermal analyses of the resin and flame-retardant mixtures prepared in this study were performed by a pH meter and thermogravimetric analysis, respectively. The limiting oxygen index, UL-94 vertical burning, and cone calorimetry tests on the samples with the best combustion characteristics were carried out by sizing the particleboards in accordance with the standards and applying the prepared flame-retardant resins on them. The distribution of flame-retardant resin on the particleboard surface was investigated for the samples prepared by scanning electron microscopy. As a result of the analyses, it was determined that the samples containing 20% ammonium polyphosphate had good nonflammability properties.

In response to challenges such as the rapid rise of water content, the rapid decline of periodic production, and the serious intrusion of edge and bottom water in heavy oil reservoirs after multicycle profile control, the flue gas-assisted steam huff and puff technology is proposed. By focusing on Block Cao128 in the L Oilfield as a research subject, the feasibility of applying the flue gas-assisted steam huff and puff technology in heavy oil reservoirs has been verified through the establishment of a three-dimensional geological model. Additionally, the injection and production parameters in steam huff and puff have been optimized. The research results indicate that when the cyclic steam injection volume is 1000 t, the maximum net oil increment can be achieved, reaching 6308 × 10⁴ t. Furthermore, when the cyclic flue gas injection volume is 9 × 10⁴ Nm³, the efficacy of the flue gas-assisted steam huff and puff is enhanced. The optimal injection method is to inject flue gas in the early stage of steam huff and puff, and the oil–gas ratio is increased to 1.77. The introduction of flue gas can enhance production significantly and exert a significant impact on early-stage production. The earlier the injection time of flue gas, the better the development effect. Flue gas-assisted steam huff and puff technology improves energy utilization efficiency and reduces pollutant emission. It has a significant positive impact on environmental protection and sustainable development.

Despite considerable progress in using lipid nanoparticle (LNP) vehicles for gene delivery, achieving selective transfection of specific cell types remains a significant challenge, hindering the advancement of new gene or gene-editing therapies. Although LNPs have been equipped with ligands aimed at targeting specific cellular receptors, achieving complete selectivity continues to be elusive. The exact reasons for this limited selectivity are not fully understood, as cell targeting involves a complex interplay of various cellular factors. Assessing how much ligand/receptor binding contributes to selectivity is challenging due to these additional influencing factors. Nonetheless, such data are important for developing new nanocarriers and setting realistic expectations for selectivity. Here, we have quantified the selective, targeted transfection using two uniquely engineered cell lines that eliminate unpredictable and interfering cellular influences. We have compared the targeted transfection of Chinese ovary hamster (CHO) cells engineered to express the human transferrin receptor 1 (hTfR1), CHO-TRVb-hTfR1, with CHO cells that completely lack any transferrin receptor, CHO-TRVb-neo cells (negative control). Thus, the two cell lines differ only in the presence/absence of hTfR1. The transfection was performed with pDNA-encapsulating LNPs equipped with the DT7 peptide ligand that specifically binds to hTfR1 and enables targeted transfection. The LNP’s pDNA encoded for the monomeric GreenLantern (mGL) reporter protein, whose fluorescence was used to quantify transfection. We report a novel LNP composition designed to achieve an optimal particle size and ζ-potential, efficient pDNA encapsulation, hTfR1-targeting capability, and sufficient polyethylene glycol sheltering to minimize random cell targeting. The transfection efficiency was quantified in both cell lines separately through flow cytometry based on the expression of the fluorescent gene product. Our results demonstrated an LNP dose-dependent mGL expression, with a 5-fold preference for the CHO-TRVb-hTfR1 when compared to CHO-TRVb-neo. In another experiment, when both cell lines were mixed at a 1:1 ratio, the DT7-decorated LNP achieved a 3-fold higher transfection of the CHO-TRVb-hTfR1 over the CHO-TRVb-neo cells. Based on the low-level transfection of the CHO-TRVb-neo cells in both experiments, our results suggest that 17–25% of the transfection occurred in a nonspecific manner. The observed transfection selectivity for the CHO-TRVb-hTfR1 cells was based entirely on the hTfR1/DT7 interaction. This work showed that the platform of two engineered cell lines which differ only in the hTfR1 can greatly facilitate the development of LNPs with hTfR1-targeting ligands.

Herewith, we propose a comprehensive study of the vibrational response of chemical doping of free-standing graphene (Gr). Complementary insights on the increased metallicity have been demonstrated by the emerging plasmon excitation in the upper Dirac cone, observed by inelastic electron scattering and core-level photoemission. The electron migration in the π* upper Dirac band unveils an electron–phonon coupling of contaminant-free K-doped Gr, as evidenced by advanced micro-Raman spectroscopy in ultrahigh vacuum ambient. The vibrational response of potassium-doped Gr correlated with the charge injected in the upper Dirac cone, and the Fermi level shift unravel a notable electron–phonon coupling, which is stronger than that observed for gate voltage-doped Gr.

Per- and polyfluoroalkyl substances (PFAS) are a group of environmental pollutants that have been linked to a variety of health problems in humans, including the disruption of thyroid functions. Herein, for the first time, the impact of PFAS on thyroid hormone synthesis is shown. Mid- to long-chain PFAS impact thyroid hormone synthesis by changing the local hydrogen bond network as well as the required orientation of hormonogenic residues, stopping the production of thyroxine (T4). Furthermore, the toxic effects of sulfonic PFAS are more prominent than those of carboxylic PFAS, highlighting that the exposure to these specific compounds can pose greater problems for thyroid homeostasis.

Interferon-stimulated gene-15 (ISG15) is an interferon-induced protein with two ubiquitin-like (Ubl) domains linked by a short peptide chain and is a conjugated protein of the ISGylation system. Similar to ubiquitin and other Ubls, ISG15 is ligated to its target proteins through a series of E1, E2, and E3 enzymes known as Uba7, Ube2L6/UbcH8, and HERC5, respectively. Ube2L6/UbcH8 plays a central role in ISGylation, underscoring it as an important drug target for boosting innate antiviral immunity. Depending on the type of conjugated protein and the ultimate target protein, E2 enzymes have been shown to function as monomers, dimers, or both. UbcH8 has been crystallized in both monomeric and dimeric forms, but its functional state remains unclear. Here, we used a combined approach of small-angle X-ray scattering (SAXS) and nuclear magnetic resonance (NMR) spectroscopy to characterize UbcH8’s oligomeric state in solution. SAXS revealed a dimeric UbcH8 structure that could be dissociated when fused N-terminally to glutathione S-transferase. NMR spectroscopy validated the presence of a concentration-dependent monomer–dimer equilibrium and suggested a back-side dimerization interface. Chemical shift perturbation and peak intensity analysis further suggest dimer-induced conformational dynamics at the E1 and E3 interfaces, providing hypotheses for the protein’s functional mechanisms. Our study highlights the power of combining NMR and SAXS techniques to provide structural information about proteins in solution.

β-Naphthol and triarylcarbonium colorants were often used by modern and contemporary artists in materials such as inks and paints. Their poor stability and ability to fade upon exposure to light make their identification in artworks crucial for planning exhibitions and preventive conservation. Secondary ion mass spectrometry with MeV primary ions (MeV SIMS) is necessary when analyzing synthetic organic colorants (SOCs) with similar molecular structures due to its advantages in high sensitivity and soft ionization, which causes a low fragmentation of organic molecules. In this work, we applied MeV SIMS with 5 MeV Si⁴⁺ to identify selected β-naphthol and triarylcarbonium colorants from the 19th/20th century Materials Collection kept at the Academy of Fine Arts Vienna. The collection contains SOCs from renowned companies, such as I.G. Farben and I.C.I., and serves as a unique source of reference materials in the analysis of artworks. Previous research on these colorants with X-ray fluorescence analysis (XRF), micro-Raman, and Fourier transform infrared (FTIR) spectroscopies failed in the case of colorant mixtures. Similar spectral features of the SOCs within one chemical class and their low concentrations in mixtures did not lead to their identification using these techniques. MeV SIMS detected molecular ions or protonated molecules in the positive-ion mode. In the negative-ion mode, the functional groups (NO₂^– and SO₃^–) of β-naphthol lakes/pigments and heteropolyacid species (WO₃^– and MoO₃^–) characteristic of triarylcarbonium toners were determined. The results demonstrate that MeV SIMS is highly effective for identifying β-naphthol and triarylcarbonium colorants in mixtures and distinguishing between pigments, toners, lakes, and dyes.

Plastic waste accumulation is a significant threat to the environment and humans. Pyrolysis is a promising method for recycling plastic waste since all of the yields are useful, reducing the associated environmental risks of plastic waste. Energy recovery from used plastic waste can help restore ecosystems by utilizing waste as fuel while addressing the environmental problem of plastic disposal. This study experimentally investigates the application of oil obtained by the pyrolysis of waste high-density polyethylene (HDPE) as a viable energy source for diesel engines, offering a unique solution to the issues of plastic waste and energy sustainability. The catalytic pyrolysis method was employed to convert used HDPE plastics into a fuel called used polymer pyrolysis oil (UPO). The UPO was blended at 20% and 40% on a volume basis with mineral diesel. The graphite nanoadditives of 50 and 100 ppm were doped to enhance the properties of the UPO20 blend. The results showed that UPO20n100 blends exhibited a 2.79% increase in brake thermal efficiency and an 11.6% reduction in specific fuel consumption compared to diesel. Utilizing the UPO20n100 blend as a diesel engine fuel resulted in reductions of hydrocarbon, carbon monoxide, and smoke emissions by 8.9%, 9.9%, and 8.9%, respectively, compared with diesel operation. These findings provide a pathway for reducing plastic pollution and reliance on fossil fuels, with significant implications for the development of sustainable energy solutions. Additionally, this study presents a novel application of graphite nanoadditives in fuel blends prepared from used plastics, highlighting their significant impact on enhancing engine efficiency and reducing emissions.

Nanostructured LiCoPO₄ (LCP) microspheres were successfully synthesized by one-step spray pyrolysis, adding an appropriate amount of diammonium hydrogen citrate (DHC) additive to the precursor solution. Comprehensive physical characterization confirmed that the obtained LCPs exhibited a desirable orthorhombic olivine structure with nanostructured morphology and a significant increase in specific surface area. This enhancement was attributed to the dispersion effect due to the carboxyl group and the evolution of the ammonium group of DHC during the pyrolysis process. The resultant LCP delivered a high initial discharge capacity of 132 mA h g^–1 with 63.3% capacity retention (vs 103 mA h g^–1 and 37.1% of bare-LCP) after 50 cycles at 0.1 C using the conventional electrolyte. Moreover, the electrochemical performance showed additional enhancement when a fluorinated electrolyte was introduced, resulting in initial and 50th discharge capacities of 141 and about 100 mA h g^–1, respectively, at 0.1 C.

This study addresses the environmental pollution and safety hazards associated with the cyanide leaching process in gold mining, proposing a more environmentally friendly and cost-effective potassium chlorate leaching method. The feasibility of this method was verified through thermodynamic analysis. Building upon single-factor experiments, the study utilized a response surface methodology to investigate the effects of potassium chlorate dosage, liquid-to-solid ratio, reaction temperature, and reaction pH on leaching efficiency. Results indicate that the order of influence on leaching efficiency is KClO₃ dosage > liquid-to-solid ratio > temperature > pH, with significant interactions observed between KClO₃ dosage and temperature. Optimal process parameters were determined as follows: initial potassium chlorate dosage of 21 g, liquid-to-solid ratio of 8.2/1, reaction temperature of 34 °C, and initial reaction pH of 12, achieving a gold leaching rate of 86.37%. To further optimize leaching efficiency, potassium carbonate was introduced to maintain system pH stability, promoting the formation of soluble iron carbonate complexes to reduce the re-encapsulation of minerals by Fe(OH)₃ and prevent gold from existing as Au(OH)₃, thus hindering gold leaching. Electrochemical studies revealed that increasing the potassium carbonate dosage enhances the dissolution of the passivation film. Under conditions of a potassium carbonate dosage of 0.75 mol/L and initial pH of 12, the gold leaching rate increased to 91.69%, with the system pH maintained above 11.68. Therefore, the addition of potassium carbonate effectively reduces the re-encapsulation of gold during leaching, further improving leaching efficiency.

Nucleic acid testing with high sensitivity and specificity is of great importance for accurate disease diagnostics. Here, we developed an in situ one-tube nucleic acid testing assay. In this assay, the target nucleic acid is captured using magnetic silica beads, avoiding an elution step, followed directly by the polymerase chain reaction (PCR) and clustered regularly interspaced short palindromic repeats (CRISPR)-Cas12a detection. This assay achieved visual readout and a sensitivity of 120 copies/mL for detecting SARS-CoV-2. More importantly, the assay demonstrated over 95% sensitivity and 100% specificity compared to the gold standard real-time quantitative PCR (RT-qPCR) test by using 75 SARS-CoV-2 clinical samples. By integrating nested PCR and Cas12a, this all-in-one nucleic acid testing approach enables ultrasensitive, highly specific, and cost-effective diagnosis at community clinics and township hospitals.

This study reports, first, on the preparation and cross-linking of multilayers composed of poly(2-isopropyl-2-oxazoline-co-ethyleneimine) (PiPOX-PEI) and tannic acid (TA). PiPOX was synthesized by cationic ring-opening polymerization (CROP) and partially hydrolyzed, yielding a random copolymer PiPOX-PEI. It was then coassembled at the surface with TA using the layer-by-layer (LbL) technique. Multilayers were exposed to NaIO₄ solution to induce covalent bond formation between PEI units of PiPOX-PEI and TA. Cross-linking with NaIO₄ enhanced the stability of the multilayers, especially under basic conditions. Second, the potential of PiPOX-PEI and TA multilayers as a stimuli-responsive dual drug-releasing platform was examined using curcumin (CUR) and doxorubicin (DOX) as model drugs. These drugs were chosen as they can act in a combinatorial manner to increase cell death. The surface of CUR-containing CaCO₃ microparticles was modified with PiPOX-PEI and TA multilayers and postloaded with DOX. We found that LbL particles could release DOX in a pH-responsive manner, whereas temperature-induced release was observed only when the temperature was raised above 40 °C. The DOX and CUR released from the LbL particles could act synergistically on HCT-116 cells. Cross-linking increased the DOX release from LbL particles but decreased the CUR release from the core. Corroborating the release data, the synergy observed with the non-cross-linked particles was lost with the cross-linked particles, and the decrease in the viability of HCT-116 cells was attributed mainly to the release of DOX. Overall, we describe here NaIO₄-induced cross-linking of PiPOX-PEI/TA LbL films, the effects of pH, temperature, and cross-linking on DOX and CUR release from multilayers, and comparison of the combinatorial effect of DOX and CUR for cross-linked and non-cross-linked LbL microparticles through cell viability assays.

Long-chain fatty acid (LCFA) degradation primarily involves several species of Syntrophomonas and hydrogenotrophic methanogens, constituting the rate-limiting step in anaerobic digestion. It is crucial to augment their abundance to enhance LCFA degradation. Utilizing microbial carriers presents an effective strategy to maintain the microorganisms on the surface and prevent their washout from the digester. In this study, we aimed to identify a suitable microbial carrier with a superior adsorption capacity for LCFA-degrading microorganisms. We tested various polymers, poly(vinyl alcohol) (PVA), polypropylene (PP), polyethylene glycol (PEG), and polyvinylidene chloride (PVDC), adding them to the sludge at the concentration of 28.25 g L^–1 and incubating with olive oil. The amplicon sequencing analysis revealed that PVDC retained Syntrophomonas more abundantly than the other polymers. Remarkably, PVDC predominantly adsorbed LCFA-degrading S. sapovorans and S. zehnderi, whereas medium- to short-chain fatty acid-degrading S. wolfei was abundant in the sludge. Moreover, hydrogenotrophic Methanospirillum hungatei was detected at 2.3–9.5 times higher abundance on PVDC compared to the sludge. Further analysis indicated that not only these LCFA-degrading syntrophic microbial communities but also Propionispira and Anaerosinus, which are capable of lipid hydrolysis and glycerol degradation, became dominant on PVDC. Actually, chemical analysis confirmed that adding PVDC promoted the olive oil degradation. These results underscore the potential of PVDC in promoting anaerobic LCFA degradation.

The current study focuses on the idea of “Energy from Waste” that intends to address energy crises and manage waste. Fruit waste is one of the most common forms of organic waste due to its inedible portion and perishable nature. In Pakistani regions, an extensive amount of mango pulp (MP)/juice waste is produced due to excessive consumption during summers, which poses huge environmental challenges. The study aims at effective valorization of perishable waste and elimination of deteriorating waste that causes a polluting environment. Experimental work has been conducted to evaluate the sucrolytic potential of Bacillus cereus FA3 for the bioconversion of sucrose from mango waste into reducing sugars for ethanologenesis. The Plackett–Burman model was designed to analyze enzymatic hydrolytic parameters for sugar conversion. The model was significant for reducing sugars with F and p values of 43.99 and 0.0013 correspondingly. 11.43 ± 0.068 g/L maximum reducing sugars were analyzed in MP after hydrolysis with 12.58 IU of crude enzyme dosage of B. cereus FA3 at 30 °C within 5 days with a 22% enzyme conversion rate. Additionally, the ethanologenic potentials of experimental Metschnikowia cibodasensis Y34 and standard Saccharomyces cerevisiae K7 yeasts were investigated from mango hydrolyzate when subjected to central composite design as a statistical optimization tool. These findings exhibited significantly higher response outcomes and good development for waste management.

The perovskite device, incorporating a modified nanostructure of TiO₂ as the electron transport layer, has been investigated to enhance its performance compared to the pure TiO₂ device. Various materials undergo electrochemical doping or treatment on TiO₂ to improve their photocatalytic application, thereby enhancing the current density, minimizing recombination, and improving device stability. In this study, a numerical SCAPS simulation was employed to validate experimental findings from the literature. According to the literature, this marks the first instance of doping Al³⁺ and Mg²⁺ on TiO₂ due to their ionic radius comparable to that of Ti⁴⁺, at different doping concentrations. The device was modeled and simulated with the experimental parameters of bandgap, series, and shunt resistances for pure TiO₂, aluminum-doped TiO₂ (Al-TiO₂), and magnesium-doped TiO₂ (Mg-TiO₂). From the validated results, the Al-TiO₂ and Mg-TiO₂-based devices’ configurations with minimum percentage errors of 0.427 and 2.771%, respectively, were selected and simulated across nearly 90 (90) configurations to determine the optimum device model. Optimizing absorber thickness, bandgap, doping concentration, metal electrode, as well as series and shunt resistance resulted in enhanced device performance. According to the proposed model, Al-TiO₂ and Mg-TiO₂ configurations achieved higher power conversion efficiency values of 19.260 and 19.860%, respectively. This improvement is attributed to the reduction in recombination rates through the injection of a higher photocurrent density.

A 4 Å zeolite prepared under the synergistic effect of intense ultrasound and a high-voltage electrostatic field had an octahedral structure rather than a conventional hexahedral structure. XPS and XRD analyses showed that the ratio of silicon to aluminum, 2θ peak position, and the corresponding crystal planes were the same as those in traditional hexahedral 4 Å zeolite, but some crystal planes were more prominent. SEM imaging showed that the octahedral zeolites had a larger particle size. Porosimetry (BET surface area and BJH analysis) showed that the octahedral zeolite had become a mesoporous zeolite, and its specific surface area increased and its pore size expanded, which was conducive to loading catalytically active materials and thus improving its catalytic performance. In this paper, the mechanism of formation of hierarchical LTA zeolite is discussed, and the octahedral hierarchical LTA zeolite is used to catalyze the epoxidation of styrene, giving very good results. It is concluded that the (600), (622), (642), and (644) crystal planes played a decisive role in the styrene epoxidation reaction, providing a realistic basis for explaining the crystal plane catalysis effect of the 4 Å zeolite. This new zeolite prepared under the synergistic effect of intense ultrasound and a high-voltage electrostatic field, being the first time to prepare the octahedral hierarchical LTA zeolite, is simple to produce, green, and environmentally friendly and has good economic development prospects compared to the use of templating agents, which not only provides ideas and simpler methods for optimizing the performance of traditional zeolites and developing new zeolites with better performance but also enhances the theoretical basis for preparing new zeolites.

Phosphogypsum (PG) constitutes a form of solid byproduct emanating from the manufacturing process of wet-process phosphoric acid. The fabrication of one metric ton of wet-process phosphoric acid entails the generation of approximately five tons of phosphogypsum, a highly prolific and economically viable waste stream. If we can effectively solve the problem of poor hydrophobicity of phosphogypsum, it is possible to replace cement and other traditional cementitious materials. In this way, we can not only improve the utilization rate of phosphogypsum but also obtain significant economic and environmental benefits. In the present investigation, hydrophobic surface coatings were synthesized and applied onto the surface of α-hemihydrate phosphogypsum (α-HPG) utilizing sol–gel processing and impregnation techniques. After hydroxylating α-HPG with alkaline solution (OH-α-HPG), titanium dioxide nanoparticles (TiO₂) hybridized with perfluorodecyltriethoxysilane (PFDTS) were grafted on its surface. The assessment of the hydrophobic properties of the coatings was conducted through water contact angle measurements, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) analyses. The contact angle remained above 124.2° after strong acidic and alkaline immersion and 50 tape adhesion experiments with good chemical stability and durability, and the mechanism of surface hydrophobicity modification was discussed. The experimental outcomes demonstrated a notable increase in the hydroxyl group concentration on the α-HPG surface following hydroxylation, significantly enhancing the attachment rate of PFDTS and TiO₂ onto the HPG surface. PFDTS and TiO₂ can undergo chemical interaction with hydroxyl groups, facilitating their robust adsorption onto the surface of OH-α-HPG through chemisorption mechanisms. After bonding the OH-α-HPG surface with PFDTS and TiO₂ via hydrogen bonding, the otherwise hydrophilic α-HPG surface acquired excellent hydrophobicity (OH-α-HPG-PT, contact angle (CA) = 146.7°). The surface modification of α-HPG through hydroxylation and hydrophobicity enhancement significantly augmented the compatibility and interfacial interplay between α-HPG and PT. This research successfully enhanced the hydrophobic properties of α-HPG, profoundly showcasing its immense potential within the construction industry and the realm of comprehensive solid waste utilization.

As synthetic and nonbiodegradable compounds are becoming a great challenge for the environment, developing polymer electrolytes using naturally occurring biodegradable polymers has drawn considerable research interest to replace traditional aqueous electrolytes and synthetic polymer-based polymer electrolytes. This study shows the development of a highly conducting ionic liquid (1-hexyl-3-methylimidazolium iodide)-doped corn starch-based polymer electrolyte. A simple solution cast method is used to prepare biopolymer-based polymer electrolytes and characterized using different electrical, structural, and photoelectrochemical studies. Prepared polymer electrolytes are optimized based on ionic conductivity, which shows an ionic conductivity as high as 1.90 × 10^–3 S/cm. Fourier transform infrared spectroscopy (FTIR) confirms the complexation and composite nature, while X-ray diffraction (XRD) and polarized optical microscopy (POM) affirm the reduction of crystallinity in biopolymer electrolytes after doping with ionic liquid (IL). Thermal and photoelectrochemical studies further affirm that synthesized material is well stable above 200 °C and shows a wide electrochemical window of 3.91 V. The ionic transference number measurement (t_ion) confirms the predominance of ionic charge carriers in the present system. An electric double-layer capacitor (EDLC) and a dye-sensitized solar cell (DSSC) were fabricated by using the highest conducting corn starch polymer electrolyte. The fabricated EDLC and DSSC delivered an average specific capacitance of 130 F/g and an efficiency of 1.73% in one sun condition, respectively.

This study investigates the synthesis of monoglycerides (MGs) and diglycerides (DGs) from glycerol (G) and fatty acid methyl ester (FAME) using a static mixer reactor (SMR), which combines a static mixer (SM) with a reactor tank. The SMR integrates Kenics static mixers (KSM) and low-pressure drop static mixers (LPDSM) with varying length-to-diameter ratios (L/D = 1.0 and 1.5). Keys glycerolysis parameters, including the G:FAME molar ratio of 2:1–3:1, 2–3 wt % potassium hydroxide (KOH), and reaction time of 30–90 min at 150 °C were systematically explored. The SMR design allows precise control over the reaction time without altering the feed flow rate or tube length and avoiding agitator leakage. The optimal operating conditions, determined through a face-centered central composite design, resulted in 71.35% MGs and 14.20% DGs at a 3:1 molar ratio of G to FAME, 3 wt % KOH, 60 min, and 150 °C using an LPDSM with an L/D of 1.5. In comparison, an LPDSM with an L/D of 1 achieved 79.28% MGs and 10.17% DGs under the same conditions. When applied to purified crude glycerol, these conditions yielded 61.09% MGs and 23.44% DGs. The study found that a lower L/D ratio improved the mixing efficiency but increased the pressure drop. The SMR demonstrated superior performance in glycerolysis compared with conventional stirred tank reactors and ultrasonic probe reactors, indicating its potential for enhanced industrial application.

The importance of selectively oxidizing aniline into value-added chemicals azoxybenzene and nitrobenzene is well-recognized in organic synthesis. However, the lack of control over selectivity and the complex synthesis of costly catalysts significantly hinder these reactions' industrial applications. In this work, an environmentally friendly approach was developed for the selective oxidization of substituted anilines. This method involves adjusting the strength of alkalinity with peroxide as the oxidant, without the addition of any metals or additives. A mild base (NaF) facilitated azoxybenzene formation, while a stronger base (NaOMe) enabled the synthesis of nitroaromatics. These protocols are user-friendly and scalable, accommodating various substitution patterns and functional groups, yielding products with high to excellent yields. The findings of this work present a framework for investigating base catalysis in organic synthesis and provide a viable and effective approach for selectively oxidizing aniline.

Flow assurance is a long-term challenge for oil and gas exploration as it plays a key role in designing safe and efficient operation techniques to ensure the uninterrupted transport of reservoir fluids. In this regard, the sensitive monitoring of the scale formation process is important by providing an accurate assessment of the minimum inhibitor concentration (MIC) of antiscale products. The optimum dosage of antiscale inputs is of pivotal relevance as their application at concentrations both lower and higher than MIC can imply pipeline blockages, critically hindering the entire supply chain of oil-related inputs and products to society. Using a simple and low-cost impedimetric platform, we here address the monitoring of the scale formation on stainless-steel capillaries from its early stages under real topside (ambient pressure and 60 °C) and subsea (1000 psi and 80 °C) sceneries of the oil industry. The method could continuously gauge the scale formation with a sensitivity higher than the conventional approach, i.e., the tube blocking test (TBT), which proved to be mandatory for avoiding misleading inferences on the MIC. In fact, whereas our sensor could entail accurate MICs, as confirmed by scanning electron microscopy, TBT suffered from negative deviations, with the predicted MICs being lower than the real values. Importantly, the impedance measurements were performed through a hand-held, user-friendly workstation. In this way, our method is envisioned to deliver an attractive and readily deployable platform to combat the scale formation issues because it can continuously monitor the salt precipitation from its early stages and yield the accurate determination of MIC.

PARP-1 (poly(ADP-ribose)-polymerase 1) inhibitors are vital in synthetic lethality, primarily due to their specificity for PARP-1 over PARP-2 (PARP-1 > PARP-2). This specificity is crucial as it allows precise inhibition of PARP-1 in tumor cells with Breast Cancer 1 protein (BRCA1) or BRCA2 deficiencies. The development of highly specific PARP-1 inhibitors not only meets the therapeutic needs of tumor treatment but also has the potential to minimize the adverse effects associated with nonselective PARP-2 inhibition. In this study, a series of novel 2,3-dichloro-5,8-dihydroxy-1,4-naphthoquinone (DDNO) derivatives were synthesized, characterized, and evaluated regarding their PARP-1 inhibitory and cytotoxic activity. Compound 3 exhibited the highest cytotoxic potential against all cell lines, except for MDA-MB-231 cells. The inhibitory potential of these molecules against PARP-1 was evaluated through in silico molecular docking and molecular dynamics studies. Notably, compounds 5, 9, and 13 exhibited significant inhibitory activity in silico results, interacting with critical amino acids known to be important for PARP-1 inhibition during simulations. These compounds exhibited target-specific and strong binding profiles, with docking scores of −7.17, −7.41, and −7.37 kcal/mol, respectively, and MM/GBSA scores of −52.51, −43.77, and −62.87 kcal/mol, respectively. These novel compounds (DDNO derivatives) hold promise as potential PARP-1 inhibitors for the development of targeted therapeutics against cancer.

Explosion venting is an effective method to reduce the explosion damage; in order to study the mechanism of an explosion venting process in internal and external space, this paper investigates the influence of vent parameters on hydrogen–air explosion in a rectangular duct through numerical simulation. The model including the internal and external space is first constructed, and then the explosion dynamic behaviors of the full flow field are analyzed under different vent pressures and sizes. The study aims to reveal the coupling effect of the flame, pressure, and flow field on hydrogen explosion venting. The results indicate that the explosion intensity increases with the growth of the vent pressure and the reduction of the vent size. The maximum external overpressure increases to 2.6 and 2.3 times as the vent pressure increased to 10 times or vent size reduced by 90%. The flame and combustible gas mixture evolve from a mushroom cloud into a jet form as the vent size decreases, and vortexes formed at the flame front suppress flame propagation. However, the flame speed increases significantly as the flame passes the vent under the impact of larger pressure gradient, which results in a more violent turbulence intensity and secondary external explosion.

The vinasse waste was effectively converted to nanoporous carbon (NPC) via hydrothermal carbonization with potassium hydroxide (KOH) activation. The nanoporous carbon (NPC) exhibited a maximum surface area of 1018 m²/g and it was utilized as a catalyst for the conversion of palm oil into green diesel fuel. The supported NPC catalyst was fabricated via a wet impregnation technique, where finely distributed iron phosphide (FeP) particles were cemented. The FeP/NPC catalyst was evaluated for its physicochemical characteristics using various techniques including X-ray diffraction (XRD), nitrogen sorption analyzer, transmission electron microscopy (TEM), and energy dispersive X-ray spectrometry (EDS) mapping. An investigation was conducted to examine the effects of different temperatures (ranging from 280 to 360 °C) on the conversion of palm oil through deoxygenation reactions. The FeP/NPC catalyst exhibited remarkable particle dispersion and surface area. At a reaction temperature of 340 °C, the FeP/NPC catalyst had the best selectivity for green diesel, reaching 68.5%. The finding implies that FeP catalysts, when supported, hold significant promise for converting triglycerides into renewable diesel fuel. Moreover, they provide the advantage of being more cost-effective than valuable metals, while demonstrating excellent catalytic efficiency in the production of biofuels. Furthermore, it has been shown that the FeP/NPC catalyst can be recycled by subjecting it to heat treatment to remove impurities and obtain reduction.

TiO₂ nanoparticles are full of porosity that can be impregnated with a strong alkaline catalyst CH₃ONa to form a TiO₂/CH₃ONa catalyst. TiO₂ of the anatase phase, which is a semiconductor material, has been a prominent photocatalyst due to its excited photocatalyst activity, chemical and biological stability, and nontoxicity. The CH₃ONa compound has been widely used as a catalyst for transesterification. Although the synthesized photocatalyst TiO₂ powder with CH₃ONa is anticipated to greatly enhance the transesterification efficiency, leading to improving biodiesel properties, relevant studies have not been found. After the photocatalyst was prepared, a reactant mixture of palm oil, methanol, and heterogeneous catalyst TiO₂/CH₃ONa was illuminated by ultraviolet (UV) light from light-emitting diode (LED) lamps. The experimental results revealed that the formation of fatty acid methyl esters was significantly increased to 98.4% with ultraviolet-light illumination for the molar ratio of methanol/palm oil equal to 6 and 3 wt % catalyst addition. The decrease of the catalyst amount to 2 wt % resulted in a slight decrease of the fatty acid methyl esters to 97.06 wt %. The lowest kinematic viscosity and acid value and the highest distillation temperature, heating value, and cetane index were observed under the above reaction conditions. The distillation temperature and cetane index were increased while the acid value was decreased under ultraviolet illumination on the reactant mixture. Consequently, the optimum preparing conditions for biodiesel production were 6 and 3 wt % for the molar ratio of methanol/palm oil and catalyst addition under UV-light irradiation.

Multiwalled carbon nanotubes find applications in many fields due to their extraordinary properties. However, depending on their synthesis method, they show no or a poor response to the presence of a magnetic field. This limits their usability in magnetic applications. In this study, the maximum induced magnetization of multiwalled carbon nanotubes was increased by deposition of magnetic nanoparticles, which were produced by nanosecond pulsed laser deposition under inert low-pressure conditions using iron (Fe), magnetite (Fe₃O₄), cobalt (Co), and nickel (Ni) targets. Extensive chemical and physical characterization of the added nanoparticles was performed. It was found that for the same synthesis conditions, Fe and Fe₃O₄ targets resulted in the formation of larger, asymmetrical magnetic Fe nanoparticles with a Fe₃O₄ shell (Fe@Fe₃O₄) (3.2–8.6 nm) and Fe₃O₄ (6.0–12.4 nm) nanoparticles, respectively. Smaller, more spherical Co@CoO (2.1–5.0 nm) and Ni@NiO (1.4–3.5 nm) nanoparticles were obtained from the Co and Ni targets, respectively. The highest increase in maximum induced magnetization was observed for multiwalled carbon nanotubes with Fe@Fe₃O₄ (5.37 ± 0.15 emu/g) or Co@CoO nanoparticles (4.29 ± 0.01) compared to pristine multiwalled carbon nanotubes (2.46 ± 0.08 emu/g) and nanotubes with Fe₃O₄ (3.79 ± 0.38 emu/g) or Ni@NiO nanoparticles (2.85 ± 0.06 emu/g). Finally, superior adhesion of the Fe@Fe₃O₄ and Fe₃O₄ nanoparticles to multiwalled carbon nanotubes compared to the Ni@NiO and Co@CoO nanoparticles was identified.

The advancement of Internet of Things and associated technologies has led to the widespread usage of smart wearable devices, greatly boosting the demand for flexible antennas, which are critical electromagnetic components in such devices. Additive manufacturing technologies provide a feasible solution for the creation of wearable and flexible antennas. However, performance reliability under deformation and radiation safety near the human body are two issues that need to be solved for such antennas. Currently, there are few reports on compact, flexible ultrawideband (UWB) antennas with more notch numbers, reliable bendability, and radiation safety. In this paper, a UWB antenna with trinotched characteristics for wearable applications was proposed and developed using printable conductive silver materials consisting of silver microflakes or silver nanoparticles. The antenna has a compact size of 18 × 20 × 0.12 mm³ and adopts a gradient feeder and a radiation patch with three folding slots. It was fabricated on transparent and flexible poly(ethylene terephthalate) film substrates, using screen printing and inkjet printing. The measurement results demonstrated that the fabricated antennas could cover the UWB band (2.35–10.93 GHz) while efficiently filtering out interferences from the C-band downlink satellite system (3.43–4.21 GHz), wireless local area networks (4.66–5.29 GHz), and X-band uplink satellite system (6.73–8.02 GHz), which was consistent with the simulation results. The bendability and radiation safety of the antennas were evaluated, proving their feasibility for usage under bending conditions and near the human body. Additionally, it was found that the screen-printed antenna performed better after bending. The research is expected to provide guidance on designing flexible antennas that are both safe to wear and easily conformable.

This study investigates the impact of sodium channel protein type 1 subunit alpha (SCN1A) gene knockout (SCN1A KO) on brain development and function using cerebral organoids coupled with a multiomics approach. From comprehensive omics analyses, we found that SCN1A KO organoids exhibit decreased growth, dysregulated neurotransmitter levels, and altered lipidomic, proteomic, and transcriptomic profiles compared to controls under matrix-free differentiation conditions. Neurochemical analysis reveals reduced levels of key neurotransmitters, and lipidomic analysis highlights changes in ether phospholipids and sphingomyelin. Furthermore, quantitative profiling of the SCN1A KO organoid proteome shows perturbations in cholesterol metabolism and sodium ion transportation, potentially affecting synaptic transmission. These findings suggest dysregulation of cholesterol metabolism and sodium ion transport, with implications for synaptic transmission. Overall, these insights shed light on the molecular mechanisms underlying SCN1A-associated disorders, such as Dravet syndrome, and offer potential avenues for therapeutic intervention.

Fipronil, malathion, and permethrin are widely used insecticides in agriculture, public areas, and residential spaces. The globally abused application of these chemicals results in residues surpassing established maximum residue levels, giving rise to potential toxicity in unintended organisms. Long-term exposure and the persistent accumulation of these insecticides in animals and humans pose threats such as neurotoxicity, liver and kidney damage, and microbiota dysbiosis. Despite the known risks, the specific impact of these insecticides on gut microbiota and their metabolic processes, as well as the subsequent effects on host health, remain largely unknown. This study aimed to address this gap by utilizing nonpathogenic Escherichia coli as a representative of human gut bacteria and examining its growth and metabolic perturbations induced by exposure to fipronil, malathion, and permethrin. Our research showed that exposure of E. coli to fipronil, malathion, and permethrin at physiologically relevant concentrations resulted in significant growth inhibition. Furthermore, we have observed the biodegradation of fipronil and permethrin by E. coli, while no biodegradation was found for malathion. Thus, E. coli is capable of degrading fipronil and permethrin, thereby enabling the removal of those substances. Next, we studied how insecticides affect bacterial metabolism to understand their influence on the functions of the microbes. Our metabolomics analysis revealed chemical-dependent alterations in metabolic profiles and metabolite compositions following insecticide exposure. These changes encompassed shifts in carboxylic acids and derivatives, organooxygen compounds, as well as indoles and their derivatives. To gain a deeper insight into the systematic changes induced by these insecticides, we conducted a metabolic pathway analysis. Our data indicated that fipronil, compared with malathion and permethrin, exhibited opposite regulation in glycine, serine, and threonine metabolism and valine, leucine, and isoleucine biosynthesis. In summary, our study demonstrates the capability of E. coli to degrade fipronil and permethrin, leading to their removal, while malathion remains unaffected. Additionally, we reveal chemical-dependent alterations in bacterial metabolism induced by insecticide exposure, with specific impacts on metabolic pathways, particularly in pathways related to amino acid metabolism.

11-acryloylamino undecanoic acid (AAUA) is a versatile polymerizable surfactant that has been applied to coat medical devices, and these applications can benefit from a fundamental understanding of its interaction with a metal substrate. Cyclic voltammetry and in situ scanning tunneling microscopy (STM) were used to examine the adsorption configuration of AAUA molecules on an ordered Au(111) electrode and their mutual interactions, as AAUA was adsorbed from a methanol dosing solution. In addition to the van der Waals force between the aliphatic groups, the hydrogen bonding between the carboxylic acid and acrylamide groups was also important to guide the spatial arrangement of AAUA admolecules on the Au electrode. The −COOH group of AAUA admolecule likely dissociated in neutral media to −COO^–, which formed hydrogen bonds with H₂PO₄^– in phosphate buffer solution (PBS). This interaction between the AAUA admolecules and ions in the electrolyte resulted in different electrochemical characteristics observed in phosphate buffer solution (PBS) and potassium sulfate (K₂SO₄). Molecular-resolution STM imaging revealed distinctly different AAUA spatial structures on the Au electrode in PBS and K₂SO₄. Shifting the potential positively to 0.5 V (versus Ag/AgCl) led to lifting of the reconstructed Au(111) to the (1 × 1) phase and the dissolution of the ordered AAUA film, suggesting that the orientation of the AAUA admolecule was altered. The ordered AAUA adlayer could be partially recovered by shifting the potential negatively.

Deep vein thrombosis (DVT) affects vascular health and can even threaten life; however, its pathogenesis remains unclear. Cardiovascular disease (CVD) and DVT share common risk factors, such as dyslipidemia, aging, etc. We aimed to investigate the loci of published CVD susceptibility genes and their association with environmental factors that might be related to DVT. Genotyping by Kompetitive Allele Specific PCR (KASP), collection of lifestyle information, and determination of blood biochemical markers were performed in 165 DVT cases and 164 controls. The impact of six single nucleotide polymorphisms (SNPs) and additional potential variables on DVT morbidity was evaluated using unconditional logistic regression (ULR). To explore the high-order interactions related to genetics and the body’s internal environment exposure that affect DVT, ULR, crossover analysis, and multifactor dimensionality reduction/generalized multifactor dimensionality reduction (MDR/GMDR) were employed. Sensitivity analyses were performed using the EpiR package. The polymorphisms of FGB rs1800790 and PLAT rs2020918 were significantly associated with DVT. The optimum GMDR interaction model for gene–gene (G × G) consisted of THBD rs1042579, PLAT rs2020918, and PON1 rs662. The PLAT rs2020918 and MTHFR rs1801133 polymorphisms together eliminated the maximum entropy by the MDR method. The optimum GMDR interaction model for gene–environment (G × E) consisted of MTHFR rs1801133, FGB rs1800790, PLAT rs2020918, PON1 rs662, and total homocysteine (tHcy). Those with high tHcy levels and three risk genotypes significantly increased the DVT risk. In conclusion, certain CVD-related SNPs and their interactions with tHcy may contribute to DVT. These have implications for investigating DVT etiology and developing preventive treatment plans.

Rubber composites with a high gas barrier and mechanical properties have received considerable attention due to their potential applications. Constructing complex filler networks in a rubber matrix is an effective strategy to simultaneously enhance the gas barrier and mechanical properties. In this work, graphene oxide layered double hydroxide (GO@LDHs) hybrids were obtained by the electrostatic self-assembly method. A unique interspersed and isolated structure was formed in GO@LDHs hybrids due to the chemical interactions between the functional groups on GO sheets and the metal cations on LDH layers. Subsequently, the GO@LDHs hybrids were incorporated into a styrene–butadiene rubber (SBR) matrix using a green latex compounding method. The results showed that the GO@LDHs hybrids were uniformly embedded in the SBR matrix, constructing an overlapped filler network and forming physical bonding points that reduced the free volume of the composites. The electrostatic interactions between GO@LDHs hybrids facilitated energy dissipation during stretching, thereby improving the mechanical performance of the rubber composites. More importantly, the N₂ gas permeability and fracture toughness of GO@LDHs/SBR composites decreased by 52.2% and increased by 845%, respectively, compared to those of a pure SBR matrix. The construction of GO@LDHs hybrids offers new insights for designing rubber composites with a high gas barrier and mechanical properties.

In this study, we utilized a stress-sensitive superconductor MgB₂ in combination with a flexible muscovite, a layered silicate, to demonstrate that materials in a reduced-dimension environment could be influenced by external strain. MgB₂ nanocrystals were inserted into the muscovite interlayers using gas phase intercalation, creating a two-dimensional cavity-like structure. Several experiments confirmed that the cavity-induced static pressure from the intercalation effect and the external dynamic bending effect can affect the physical properties of MgB₂. The results of analyzing the changes in superconducting critical temperature (T_c) indicate that the dynamic bending effect corresponds to an applied pressure of approximately 1.2 GPa. This method demonstrates that muscovite intercalation serves as a versatile platform for evaluating the stress effects on functional materials in reduced dimensions under ambient conditions.

Lithium-ion batteries (LIBs) serve as the backbone of modern technologies with ongoing efforts to enhance their performance and sustainability driving the exploration of new electrode materials. This study introduces a new type of alloy-conversion-based gallium ferrite (GFO: GaFeO₃) as a potential anode material for Li-ion battery applications. The GFO was synthesized by a one-step mechanochemistry-assisted solid-state method. The powder X-ray diffraction analysis confirms the presence of an orthorhombic phase with the Pc2₁n space group. The photoelectron spectroscopy studies reveal the presence of Ga³⁺ and Fe³⁺ oxidation states of gallium and iron atoms in the GFO structure. The GFO was evaluated as an anode material for Li-ion battery applications, displaying a high discharge capacity of ∼887 mA h g^–1 and retaining a stable capacity of ∼200 mA h g^–1 over 450 cycles, with a Coulombic efficiency of 99.6 % at a current density of 100 mA g^–1. Cyclic voltammetry studies confirm an alloy-conversion-based reaction mechanism in the GFO anode. Furthermore, density functional theory studies reveal the reaction mechanism during cycling and Li-ion diffusion pathways in the GFO anode. These results strongly suggest that the GFO could be an alternative anode material in LIBs.

The ability of CDK1 to compensate for the absence of other cell cycle CDKs poses a great challenge to treat cancers that overexpress these proteins. Despite several studies focusing on the area, there are no FDA-approved drugs selectively targeting CDK1. Here, the study aimed to develop potential CDK1 selective inhibitors through drug repurposing and leveraging the structural insights provided by the hit molecules generated. Approximately 280,000 compounds from DrugBank, Selleckchem, Otava and an in-house library were screened initially based on fit values using 3D QSAR pharmacophores built for CDK1 and subsequently through Lipinski, ADMET, and TOPKAT filters. 10,310 hits were investigated for docking into the binding site of CDK1 determined using the crystal structure of human CDK1 in complex with NU6102. The best 55 hits with better docking scores were further analyzed, and 12 hits were selected for 100 ns MD simulations followed by binding energy calculations using the MM-PBSA method. Finally, 10 hit molecules were tested in an in vitro CDK1 Kinase inhibition assay. Out of these, 3 hits showed significant CDK1 inhibitory potential with IC₅₀ < 5 μM. These results indicate these compounds can be used to develop subtype-selective CDK1 inhibitors with better efficacy and reduced toxicities in the future.

Inorganic host matrices provide a tunable luminescence environment for lanthanide ions, allowing for the modulation of upconversion luminescence (UCL) properties. AREF₄ (A = alkali metal, RE = rare earth) have a low phonon energy and a high optical damage threshold, making them widely used as the host matrix for UCL materials. However, the impact mechanism of alkali metal ions and lanthanide lattice ions on transient UCL dynamics in AREF₄ remains unclear. This study utilized a high-power nanosecond-pulsed laser at 976 nm to excite Yb–Er codoped NaLnF₄ and LiLnF₄ (Ln: Y, Lu, and Gd) microcrystals (MCs). All samples exhibit multiband emission, and the transient UC dynamics are discussed in detail. Compared with LiLnF₄, NaLnF₄ has higher UC efficiency and red to green (R/G) ratio. Lanthanide ions (Y, Lu, and Gd) affect the energy transfer (ET) distance in Yb–Er codoped systems, thereby altering UC efficiency and the R/G ratio. The energy level coupling between Gd³⁺ and Er³⁺ prolongs the duration of the UC emission. Specifically, the red emission lifetime of NaGdF₄ is five times longer than that of NaYF₄. Our research contributes to exploring excellent alternative host matrices for NaYF₄ in the fields of rapid-response optoelectronic devices, micro–nano lasers, and stimulated emission depletion (STED) microscopy.

A straightforward and effective chromatographic method has been created for the analysis of progesterone from human plasma using a composite based on polypyrrole/magnetic nanoparticles in the sample preparation procedure. The quantification of progesterone is necessary due to its importance in human development and fertility. The employed conditions used acetonitrile:ultrapure water (70:30, v/v) as the mobile phase at 1.0 mL min^–1 and an octadecyl silane column (Phenomenex Gemini, 250 mm × 4.6 mm, 5 μm) at a wavelength of 235 nm. The composite and its precursors were synthesized and properly characterized by X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy/energy dispersive spectroscopy, thermogravimetric analysis, and point of zero charge. The main factors affecting the extraction recovery of progesterone from pool human plasma samples employing magnetic solid phase extraction have been studied, such as sample pH (without adjustment), sample volume (1000 μL), washing solvent (ultrapure water), eluent (acetonitrile), eluent volume (1000 μL), and amount of adsorbent (10 mg). The extraction recoveries ranged from 98% to 102%, and linearity ranged from 5 to 3000 ng mL^–1. The correlation coefficient (r) was ≥0.99, and acceptable relative standard deviation (precision), relative error (accuracy), and p-values (robustness) were observed. Lastly, the plasma samples from pregnant women were successfully analyzed by the validated method.

In situ liquid-cell transmission microscopy has attracted much attention as a method for the direct observations of the dynamics of soft matter. A graphene liquid cell (GLC) has previously been investigated as an alternative to a conventional SiN_x liquid cell. Although GLCs are capable of scavenging radicals and providing high spatial resolutions, their production is fundamentally stochastic, and a significant compositional change in liquids encapsulated in GLCs has recently been pointed out. We found that graphene-based liquid cells were formed in nano- to micrometer sizes with high reproducibility when the concentration of the encapsulated aqueous salt solution was high. In contrast, when we revisited conventional fabrication methods, water-encapsulated GLC was formed with low yield, and any electron diffraction spots from ice were not confirmed by a cooling experiment. The reason for this was the presence of intrinsic defects in the graphene, the presence of which we confirmed by the etch-pit method. The shrinkage of a water-encapsulated cell and a decrease in the bubble area in an aqueous (NH₄)₂SO₄ solution cell suggested that volatile water molecules and gas molecules can leak from the cells during the fabrication and observation processes. Further revision of the conditions for the formation of liquid cells and a reduction in the number of intrinsic graphene defects are expected to lead to the provision of graphene-based liquid cells capable of encapsulating dilute aqueous solutions or pure water.

1,4,7-Triazacyclononane (TACN)-based chelators, such as NOTA and NODAGA, have shown great promise as bifunctional chelators for [M(CO)₃]⁺ cores (M = ^99mTc and ¹⁸⁶Re) in radiopharmaceutical development. Previous investigations of TACN-based chelators bearing pendent acid and ester arms demonstrated the important role the pendent arms have in successful coordination of the [M(CO)₃]⁺ core with the TACN backbone nitrogens. In this work, we introduce three TACN-based bifunctional chelators bearing amide, alcohol, and ketone pendent arms and evaluate their (radio)labeling efficiency with the [M(CO)₃]⁺ core as well as the in vitro stability and hydrophilicity of the resulting radiometal complexes. Following their synthesis and characterization, the amide (2) and alcohol (3) chelators were successfully labeled with the [M(CO)₃]⁺ cores (M = ^natRe, ^99mTc, and ¹⁸⁶Re), while the ketone (4) was not successfully labeled. Radiometal complexes M-2 and M-3 demonstrated hydrophilic character in logD_7.4 studies as well as excellent stability in phosphate-buffered saline (pH 7.4), l-histidine, l-cysteine, and rat serum at 37 °C through 24 h. While the hydrophilicity and stability of these radiocomplexes are attractive, future TACN chelator design modifications to increase radiolabeling yields under milder reaction conditions would improve their potential for use in development of [M(CO)₃]⁺ radiopharmaceuticals.

The so-called Distributed Activation Energy Model (DAEM) has been used extensively, mainly to analyze pyrolysis reactions of solid reactants. The model expresses many parallel first-order reactions using the distributions of activation energy f(E) and frequency factor k₀(E). Miura and Maki presented a method to estimate both f(E) and k₀(E) in the DAEM in 1998. This model has been used successfully by many researchers. In this paper more general basic equations are derived for describing an infinite number of parallel first-order reactions by extending the basic equations for the finite number of parallel first-order reactions. Revisiting the Miura–Maki method based on the general basic equations, a graphical analysis method that may be called “Pseudo Master Curve Analysis” is presented. The method not only supplements the Miura–Maki method but gives the underlying concept of the Miura–Maki method clearly. It is also shown that the graphical method can be applicable to analyze single reactions and the experimental data obtained using isothermal reaction techniques. Next, a method that improves the estimation accuracy of k₀(E) is presented. Practical examples analyzing several experimental data are also given to show the usefulness and validity of the Miura–Maki method and the graphical method. Through the examination, it is proposed that the DAEM should be renamed, for example, as the Distributed Rate Constant Model (DRCM).

The bacterium Actinoplanes missouriensis belongs to the genus Actinoplanes, a prolific source of useful natural products. This microbe forms globular structures called sporangia, which contain many dormant spores. Recent studies using transmission electron microscopy have shown that the A. missouriensis sporangium membrane has an unprecedented three-layer structure, but its molecular components remain unclear. Here, we present multimodal (spontaneous Raman scattering, coherent anti-Stokes Raman scattering, second harmonic generation, sum frequency generation, and third-order sum frequency generation) label-free molecular imaging of intact A. missouriensis sporangia. Spontaneous Raman imaging assisted with multivariate curve resolution–alternating least-squares analysis revealed a novel component in the sporangium membrane that exhibits unique Raman bands at 1550 and 1615 cm^–1 in addition to those characteristic of lipids. A plausible candidate for this component is an unsaturated carbonyl compound with an aliphatic moiety derived from fatty acid. Furthermore, second harmonic generation imaging revealed that a layer(s) of the sporangium membrane containing this unknown component has an ordered, noncentrosymmetric structure like fibrillar proteins and amylopectin. Our results suggest that the sporangium membrane is a new type of biological membrane, not only in terms of architecture but also in terms of components. We demonstrate that multimodal molecular imaging with Raman scattering as the core technology will provide a promising platform for interrogating the chemical components, whether known or unknown, of diverse biological structures produced by microbes.

Psychedelics are psychoactive substances that produce changes in thoughts and feelings and modifications in perceptions of reality. The most potent psychedelic is also the first semisynthetic hallucinogen (lysergic acid diethylamide). Psychedelics have been investigated for decades because of their potential therapeutic effects in the treatment of neuropsychiatric diseases and also because these drugs are useful in controlling addictions to other substances. In this investigation, we analyze 27 psychedelic molecules. These compounds are serotonergic psychedelics; that is, they are serotonin agonists. We analyze the electron transfer properties to better understand the mechanism of action of these substances. We found that the electron acceptance capacity is related to the potency of the drugs: the best electron acceptor is also the most potent drug. We also used global softness as a parameter of reactivity. Molecules with greater global softness are more polarizable and also have greater potency. These results are useful to continue our understanding of the mechanism of action of psychotropic drugs.

In the context of growing global energy demands and the need for efficient extraction techniques, this research, based on numerical analysis, addresses the high-energy demands of in situ conversion by introducing a two-stage development strategy. The strategy begins with an initial continuous heating stage, followed by a thermal stabilization stage. It culminates in a hydrocarbon production stage, which is divided into primary recovery and water injection-enhanced recovery. The findings demonstrate that the reservoir temperature continues to increase even after the stop of heating. Consequently, the reactions within the reservoir persist, leading to increased hydrocarbon generation. The heating stage also helps restore reservoir pressure, enabling high production rates of hydrocarbons during the first year of primary recovery. However, natural depletion subsequently occurs, requiring an enhanced oil recovery (EOR) method. While water injection is a viable EOR method, it proves less effective due to high water breakthroughs in the producer well. Additionally, a comprehensive analysis reveals that hydrocarbon generation and production are closely related to the calibration of energy input and the duration of injection. These results underscore the critical importance of precise energy management and injection timing in optimizing hydrocarbon recovery. By enhancing our understanding of the thermal dynamics and reaction kinetics within the reservoir, this research contributes to the development of more efficient and sustainable extraction technologies, ultimately improving the feasibility of commercial shale oil production.

The coal is affected by the latent heat of the phase change of in situ and migrating water and the exothermic heat of gas adsorbed by the coal during the freezing process, which leads to different temperatures at different locations and times inside the coal. Relying on the independently developed simulation platform for the freezing response characteristics of gas-containing coal, simulation experiments on the internal temperature change of the coal freezing process under different ambient cryogenic treatment temperatures were carried out, and the effects of the phase change latent heat of the in situ water and migrating water and the exothermic heat of gas adsorbed by the coal on the freezing coal temperature field were taken into account, so as to establish a temperature field model of the cryogenic treatment process of the coal under the influence of the thermal effect of the water and gas and construct the internal heat transfer model of the freezing coal with the aid of COMSOL. The internal heat transfer of frozen coal was constructed with the help of COMSOL, and the mathematical model of temperature field proposed in this paper was simulated and verified. The results show that the change in temperature with time in the coal cryogenic treatment process is consistent with the experimental law. It is generally divided into four stages: rapid decline, short stabilization, slow decline, and relative stability, and the maximum error between the simulation temperature and the experimentally measured temperature is 0.85 K. The rate of temperature decrease of coal during the cryogenic treatment process is accelerated with the decrease of ambient freezing temperature, and the duration of short stabilization of temperature is shortened in the stage of water phase change. The mathematical model proposed in this article can be used to simulate and characterize the temperature field distribution and changes during the cryogenic treatment process of water-containing gas-containing coal.

In this study, a new combined process of hydrodynamic cavitation (HC) and a hydrogen peroxide/vitamin C (H₂O₂/Vc) system was proposed for the degradation of methylene blue (MB) in wastewater. An impact-jet hydraulic cavitator was used as the cavitation generation equipment, and H₂O₂/Vc was selected as a homogeneous oxidation system. The degradation characteristics of MB were investigated. The results showed that the degradation effect of HC in combination with the H₂O₂/Vc system was more effective than that of the individual HC or H₂O₂/Vc system. A maximum degradation rate of 87.8% was achieved under the following conditions: H₂O₂ concentration of 0.03 mol/L, Vc concentration of 0.021 mol/L, inlet pressure of 0.3 MPa, initial solution concentration of 4 μmol/L, solution volume of 150 mL, and reaction time of 10 min. The synergy index was 1.615, indicating a synergistic effect between the HC and H₂O₂/Vc system. The data of the hydroxyl radical (·OH) yield under the conditions of HC, the H₂O₂/Vc system, and the HC + H₂O₂/Vc system were fitted and analyzed. A correlation equation for ·OH yield was established, further revealing the synergistic mechanism of the HC and H₂O₂/Vc system. The intermediate products of MB degradation were detected based on LC-MS, and three possible degradation pathways of MB degradation were proposed. The combined process of HC and H₂O₂/Vc systems exhibited relatively low energy efficiency and operating cost, indicating that it was in line with the development direction of wastewater treatment.

Hyaluronan (HA) is widely used in cosmetic and biomedical applications due to its excellent biocompatibility and potential to promote wound healing. Nanofibrous HA, mimicking the extracellular matrix (ECM), is considered promising for therapeutic and cosmetic applications. However, the electrospinning process of HA often necessitates cytotoxic solvents and chemical modifications, compromising its biocompatibility and advantageous properties. In this study, poly(ethylene oxide) (PEO) was added to an aqueous solution of natural HA to improve its spinnability, enabling HA to be electrospun into fibers. The HA was rendered water-insoluble by treatment with an acidic solution, and the amorphized PEO, achieved by heat-quenching, was removed through water washing. This method distinguishes it from previous reports of fibers blended with PEO or other water-soluble polymers. Consequently, the resulting HA gel fibers demonstrated suitability for mesenchymal stem cell adhesion due to the exposure of HA on the fiber surface. Additionally, HA fibers were successfully applied directly onto the skin using a hand-held electrospinning device, indicating the potential for point-of-care and home use applications.

Aquifer leakage recharge poses a prevalent challenge in coalbed methane (CBM) development, severely impeding its efficient production. This study focuses on the Sanjiao Block, located on the eastern margin of the Ordos Basin, and provides a comprehensive evaluation of the impact of aquifer leakage recharge on CBM well productivity, employing hydrochemical characteristics and numerical simulation. Fisher’s discriminant analysis reveals a close association between external water sources for CBM wells in the Taiyuan Formation and the hydrodynamic environment: in the western stagnant zone, hydrochemical characteristics resemble those from the Shanxi Formation; in the eastern strong runoff zone, water from the Taiyuan Formation directly contributes to CBM well development; in the central weak runoff zone, hydrochemical characteristics suggest mixed water sources from the Shanxi Formation and Taiyuan Formation. The numerical simulation employs orthogonal experiments to quantify the sensitivity of aquifer geological parameters to CBM production, ranked from strong to weak for aquifer types, leakage channel properties, and aquifer physical properties. The fundamental reason for disparities in the efficacy of leakage recharge lies in categorizing aquifers into finite and infinite recharges based on their water supply capacity. The properties of leakage channels, including the location and scale, manifest as effects on the magnitude and shape of gas production characteristics in infinite and finite recharge aquifers, respectively. Furthermore, a discriminant flowchart of CBM production is presented, delineating the production characteristics of CBM wells under the influence of aquifer leakage recharge into six patterns and illustrating their distribution in the study area. This discriminant process provides scientific guidance for analyzing CBM production characteristics and evaluating potential under the influence of aquifer leakage recharge.

Adipocytes play an important role in the regulation of systemic energy homeostasis and are closely related to metabolic disorders, such as type-2 diabetes and inflammatory bowel diseases. Particularly, there is an increasing need for a human adipocyte model for studying metabolic diseases and obesity. However, utilizing human primary adipocyte culture and stem-cell-based models presents several practical limitations due to their time-consuming nature, requirement for relatively intensive labor, and high cost. Here, we applied direct conversion of normal human dermal fibroblasts (NHDFs) into adipocyte-like cells using an adipogenic cocktail containing 3-isobutyl-1-methylxanthine (IBMX), dexamethasone, insulin, and rosiglitazone and confirmed prominent lipid droplet accumulation in the converted cells. For profiling the proteome changes in the converted cells, we conducted a comprehensive quantitative proteome analysis of both the intracellular and extracellular proteome fractions using data-independent acquisition mass spectrometry. We observed that several proteins, which are known to be highly expressed in adipocytes specifically, were dominantly increased in the converted cells. In this study, we suggest that NHDFs can be converted into adipocyte-like cells by an adipogenic cocktail and can serve as a useful tool for studying human adipocytes and their metabolism.

A combination of magnetic and noble metal nanoparticles (NPs) has recently emerged as a potential substance for rapid and sensitive immunosorbent assays. However, to make the assay an alternative method for Enzyme-linked immunosorbent assay, the individual role of each nanoparticle must be explored properly. In this work, an immunoassay has been proposed using two antibody-conjugated iron oxide nanoparticles (Fe₃O₄NPs) and gold–silver bimetallic nanoparticles (AuAgNPs) to enhance the sensitivity of virus detection by colorimetric TMB/H₂O₂ signal amplification. A synergistic effect is monitored between Fe₃O₄NPs and AuAgNPs, which is explored for colorimetric virus detection. The sensor exploits the synergistic effect between the nanoparticles to successfully detect a wide range of dengue virus-like particle (DENV-LP) concentrations ranging from 10 to 100 pg/mL with a detection limit of up to 2.6 fg/mL. In the presence of a target DENV-LP, a sandwich-like structure is formed, which restricts the electron transfer and the associated synergistic effect between the nanoparticles, restricting the TMB oxidation process. Therefore, the synergistic effect is the key to the present work, which accounts for the enhanced rate of the enzymatic reaction on TMB and makes the current method of virus detection more sensitive and reliable compared to the others.

Studying the structure and dynamics of nucleic acids and their complexes is crucial for understanding fundamental biological processes and developing therapeutic interventions. However, the limited availability of experimentally characterized nucleic acid structures poses a challenge for exploring their properties comprehensively. To address this, we developed a customizable mutagenesis tool, CHIMERA_NA, to manipulate nucleic acid structures and their complexes. Utilizing the user-friendly CHIMERA_NA, researchers can perform mutations in nucleic acid structures, enabling the exploration of diverse structural configurations and dynamic behaviors. The tool offers the flexibility to generate all possible combinations of mutations or specific user-defined mutations based on research requirements. CHIMERA_NA leverages the capabilities of UCSF Chimera software, a widely used platform for molecular structure analysis, to facilitate the generation of mutations in nucleic acids. Our tool modifies the reference structure of nucleic acids or their complexes to generate initial coordinates of mutated structures/complexes within seconds for further computational exploration. This capability allows users to extend their investigations beyond structural repositories, enabling the study of DNA/RNA drug recognition, nucleic acid–protein interactions, and the intrinsic structural and dynamic properties of nucleic acids. By providing a user-friendly and customizable approach to nucleic acid mutagenesis, CHIMERA_NA contributes to advancing our understanding of nucleic acid biology and facilitating drug discovery efforts targeting nucleic acid-based mechanisms. CHIMERA_NA is freely available in the Supporting Information of this article.

Optimization of electronic/magnetic behaviors of chemically decorated diamagnetic noble-metal gold nanoparticles (Au-NPs ≈5 at. %) on multiwalled carbon nanotubes (MWCNTs) and reduced graphene oxide (r-GO) is studied for future uses of optoelectronic/magnetic and biomedical applications. The changes between Au 4f_5/2 and Au 4f_7/2 ≈ 3.7 eV in X-ray photoelectron spectroscopy and 1.1 (±0.3) eV shifts in the C K-edge in X-ray absorption near edge structure spectroscopy confirm that the reduced form of Au⁰ was present in the Au-NP-decorated nanocomposites. The potential difference (ΔV) is built due to charge creations at the interface of r-GO/MWCNTs and Au-NPs and shifts in the Fermi level (ΔE_F) due to electronic transfer effects, and as a result, the work functions are reduced from 3.2 eV (MWCNTs) to 3.0 eV (MWCNTs:Au-NPs) and 3.1 (r-GO) to 2.8 eV (r-GO:Au-NPS), respectively. Negligible remanence/coercivity in MWCNTs/r-GO (/Au-NPs) with blocking temperature ≈300 K in MWCNTs:Au-NPs accounted for the existence of diamagnetic Au-NPs in these nanocomposites, which implies a superparamagnetic nature. These results furnish the evidence about the optimization of magnetic behaviors of r-GO/MWCNTs (/Au-NPs) that may possibly be altered as a novel contrast agent for clinical magnetic resonance imaging, drug delivery, and hyperthermia applications.

The high temperature requirement for the desorption of absorbed CO₂ is one of the issues for the widespread use of direct air capture (DAC), which is a promising technology to reduce atmospheric CO₂ concentration. This work realized a liquid diamine absorbent–solid carbamic acid (CA) phase-change DAC system with CO₂ desorption at a low temperature by using a MeOH solvent. The CA of isophoronediamine [3-(aminomethyl)-3,5,5-trimethylcyclohexylamine, CA-IPDA] readily desorbed CO₂ in MeOH at 50 °C, while IPDA showed the capacity to absorb low-concentration CO₂ from air with an IPDA/CO₂ ratio of 1:1. The CA-IPDA desorbed more than half of the absorbed CO₂ at 60 °C without any gas flow, proving that this system can condense low-concentration CO₂ in air to pure CO₂ with low energy requirements. The low-temperature desorption of CO₂ from CA-IPDA was owing to the high solubility of CA-IPDA in MeOH and the easy CO₂ transfer between carbamic acid and MeOH to form methyl carbonate ions. This solubility control in the liquid–solid phase-change system opens up the low-energy DAC systems.

Retinoblastoma (Rb) is a pediatric eye cancer which if diagnosed at later stages can lead to Rb invasion into the choroid, optic nerve, sclera, or beyond, with the potential of undergoing metastasis. Cancer cells, including Rb cells, reprogram their metabolic circuits for their own survival and progression, which provides a great opportunity to monitor the extent of Rb progression based on metabolic differences. Henceforth, the present study aims to map the metabolic variations in patients with invasive (primarily enucleated eyes with high-risk histopathological features) and noninvasive (eyes salvaged with treatment) unilateral retinoblastoma (Rb) using nuclear magnetic resonance (NMR) based serum metabolomics. Quantification of differential metabolites in the serum obtained from 9 patients with invasive and 4 with noninvasive unilateral Rb along with 6 controls (no retinal pathology) was carried out using ¹H NMR spectroscopy. A total of 71 metabolites, such as organic acids, amino acids, carbohydrates, and others, were identified in the serum obtained from 9 patients with invasive and 4 with noninvasive unilateral Rb. Partial least-squares discriminant analysis (PLS-DA) models depicted distinct grouping of invasive and noninvasive Rb patients and controls. Differential metabolic fingerprints were observed for invasive and noninvasive Rb patients based on their biostatistical analyses with respect to controls. Remarkable perturbation was observed among various metabolites such as 4-aminobutyrate, 2-phosphoglycerate, O-phosphocholine, proline, Sn-glycero-3-phosphocholine (Sn-GPC), and O-phosphoethanolamine in noninvasive and invasive Rb patients with most of the effects being heightened in the latter group. Metabolic changes unique to invasive and noninvasive Rb patients were also observed. Multivariate receiver operating characteristics (ROC) analysis unveiled the highest accuracy and potency of ROC models 2 and 5 to distinguish the noninvasive and invasive Rb from controls, respectively. Metabolites identified in the serum of patients with invasive and noninvasive Rb may aid in advancing our knowledge about Rb tumor biology. Differential aberrant metabolic variations in patients with invasive Rb compared to those with noninvasive Rb may guide the decision of enucleation versus globe salvage.

Soursop (Annona muricata L.) leaves are a rich source of bioactive compounds and antioxidant properties. However, they are non-economical and rapidly diminish due to insect damage and biochemical degradation. This study investigates the impact of different drying methods, including tray drying (TD), vacuum drying (VD), and freeze-drying (FD), on the phytochemical and antioxidant properties of soursop leaves at two maturity stages (young (YL) and mature (ML)). By analyzing their proximate composition, mineral content, color characteristics, pH, extraction yield, chlorophyll, ascorbic acid, total phenolics, flavonoids, and antioxidant activities, this study aims to optimize and select the appropriate drying techniques for soursop leaves. Results demonstrate that FD samples achieved the highest preservation of moisture-sensitive bioactive compounds and antioxidant properties followed by VD and TD. FD samples retained higher levels of chlorophyll (10.09–16.88 mg/g), ascorbic acid (15.91–19.89 mg/100g), phenolics (111.98–121.43 mg GAE/g), and flavonoids (68.91–72.45 mg QE/g) exhibited minimal browning and maintained stable pH (6.81–7.01) values. VD effectively reduced moisture content (3.03%) and preserved mineral concentrations, while TD led to significant nutrient loss despite its moisture removal efficiency. Additionally, ML consistently displayed higher nutrient and phytochemical concentrations than YL. This study highlights FD as the optimal method for preserving the health benefits of soursop leaves and suggests VD as a viable alternative when FD is not feasible. These findings are significant for developing cost-effective and efficient preservation strategies, enhancing the economic value of soursop leaves in various applications.

Coal damage accumulation and strength deterioration caused by mining-induced disturbances in deep mines are among the factors influencing the occurrence of dynamic disasters such as rock bursts. To study the mechanical deformation and failure characteristics of coal masses under both cyclic impact and confining pressure, SHPB experiments were performed to systematically analyze the behavior of coal samples under 1, 2, and 3 cycles at impact pressures of 0.25, 0.30, 0.35, 0.40, and 0.45 MPa. To study the influence of pressure and impact frequency on the dynamic mechanical failure of coal samples, a weakening effect model of coal samples under confining pressure was established, revealing the dynamic mechanical characteristics and failure mechanism of coal samples under different impact pressures and impact frequencies. The confining pressure SHPB results reveal that the number of cycles and impact pressure are inversely proportional to the peak stress and are proportional to the degree of weakening. The peak stress weakening coefficient of the coal samples under the different impact pressures ranged from 28.5 to 73.2%, and a linear weakening relationship with the number of cycles was obtained. The coal exhibited an end effect-controlled Y-shaped failure mode under both confining pressure and dynamic loading. This study provides an experimental reference for preventing the energy absorption and erosion of weak structures around rock bursts and improving the stability of supporting structures.

This study introduces a potentiometric pH sensor that is extremely sensitive and specifically designed for food and pharmaceutical applications. The sensor utilizes a pH-sensitive interface fabricated by electropolymerizing polyaniline (PANI) on carbon fiber cloth (CFC). Structural and morphological analyses of PANI-CFC and CFC have been conducted by using X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and X-ray photoelectron spectroscopy (XPS). The investigation of the functional groups was conducted by using Fourier transform infrared spectroscopy (FTIR) and Raman spectroscopy. The electrochemical characteristics were assessed by utilization of cyclic voltammetry (CV) and open-circuit potential (OCP) measurements in a three-electrode configuration. The sensor exhibited a sensitivity of 60.9 mV/pH, while retaining consistent performance within the pH range of 4 to 12. The repeatability and robustness of the sensors were verified. The accuracy of the PANI-CFC sensor was confirmed by validation using real samples, demonstrating its compatibility with commercially available pH sensors. The application of density functional theory (DFT) calculations revealed an interaction energy of −173.2886 kcal/mol, indicating a strong affinity of H⁺ ions towards PANI-CFC electrode. Further investigation was conducted to examine the chemical reactivity of PANI, revealing a HOMO–LUMO energy gap of −0.98 eV. This study highlights the PANI-CFC sensor as a reliable and efficient pH-sensing platform for food and pharmaceuticals applications, performing robustly in both laboratory and real-world settings.

Growing demands for rare earth elements (REEs) have prompted sustainability concerns worldwide. Given the need for sustainable extraction methods amidst REEs, ionic liquids (ILs) have been investigated as tunable extraction substitutes for conventional organic solvents, offering negligible volatility and diverse physical and chemical properties. Recent reports have shown that the introduction of extractants, like N,N,N′,N′-tetraoctyldiglycolamide (TODGA) or N,N-dioctyldiglycolamic acid (DODGAA), into ILs can provide high selectivity and affinity for REE capture. Precipitate formation has been observed in IL-extractant systems across several studies; however, the molecular interactions that drive this phenomenon have yet to be explored. This study investigates the coordination environment in the precipitate formed between [Yb³⁺], DODGAA, and the 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM⁺][PF₆^–]) IL. The composition of the precipitate was confirmed using several spectroscopic techniques and revealed an underlying hydrogen bonding interaction between the fluorine atom of [PF₆^–] anion and −OH of the Yb-DODGAA complex. Computational studies were also conducted to examine the coordination environment of the Yb-TODGA and Yb-DODGAA complexes. The binding affinity of the extractants toward [Yb³⁺] is analyzed by calculating the associated binding energy values. The results clearly show a stronger binding affinity of the extractants toward [Yb³⁺], supporting the observed high extraction efficiencies of DODGAA and TODGA.

As the main components of shale, inorganic minerals are important carriers for oil and gas adsorption, whose pore structures and surface properties have significant effects on the fluid adsorption capacity. In this study, slit nanopores (SNPs) were constructed by silica. To investigate the microscopic adsorption law of n-pentane in silica, the grand canonical Monte Carlo (GCMC) method was used to simulate the adsorption behaviors of n-pentane in silica nanoparticles. The effects of different surface wettability, pore size, temperature, and pressure values on the adsorption behavior of pentane were discussed, revealing the micro adsorption mechanism of pentane in silica with different pore sizes and wettability and evaluating the degree of oil and gas utilization. The research results indicate that the adsorption capacity of pentane is greatly affected by the temperature under low-pressure conditions. With the increase of the pore size, the adsorption capacity of pentane increases linearly, and the number of adsorbed pentane molecules gradually decreases. The availability of oil and gas increases, and the oil and gas are more easily extracted. As the surface hydrophobicity of minerals increases, the van der Waals force between minerals and pentane also increases, leading to an increase in the number of adsorbed states of pentane. The stronger the hydrophilicity of the wall, the fewer the pentane molecules adsorbed on the surface, which would improve the efficiency of oil and gas extraction. This study provides potential for the development of novel surfactants based on adsorption selectivity.

G protein-coupled receptors (GPCRs) play a central role in cellular signaling and are linked to many diseases. Accordingly, computational methods to explore potential allosteric sites for this class of proteins to facilitate the identification of potential modulators are needed. Importantly, the availability of rich structural data providing the locations of the orthosteric ligands and allosteric modulators targeting different GPCRs allows for the validation of approaches to identify new allosteric binding sites. Here, we validate the combination of two computational techniques, the residue interaction network (RIN) model and the site identification by ligand competitive saturation (SILCS) method, to predict putative allosteric binding sites of class A GPCRs. RIN analysis identifies hub residues that mediate allosteric signaling within a receptor and have a high capacity to alter receptor dynamics upon ligand binding. The known orthosteric (and allosteric) binding sites of 18 distinct class A GPCRs were successfully predicted by RIN through a dataset of 105 crystal structures (91 ligand-bound, 14 unbound) with up to 77.8% (76.9%) sensitivity, 92.5% (95.3%) specificity, 51.9% (50%) precision, and 86.2% (92.4%) accuracy based on the experimental and theoretical binding site data. Moreover, graph spectral analysis of the residue networks revealed that the proposed sites were located at the interfaces of highly interconnected residue clusters with a high ability to coordinate the functional dynamics. Then, we employed the SILCS-Hotspots method to assess the druggability of the novel sites predicted for 7 distinct class A GPCRs that are critical for a variety of diseases. While the known orthosteric and allosteric binding sites are successfully explored by our approach, numerous putative allosteric sites with the potential to bind drug-like molecules are proposed. The computational approach presented here promises to be a highly effective tool to predict putative allosteric sites of GPCRs to facilitate the design of effective modulators.

Metal complexes [FeL], [NiL]·H₂O, [CuL], and [CoL]·H₂O were formed by the ligand (L, 4-fluoro-N′-(2-hydroxybenzylidene)benzohydrazide) reacting with Fe(OAc)₂, Ni(OAc)₂·4H₂O, Cu(OAc)₂·H₂O, and Co(OAc)₂·4H₂O. The produced compounds were characterized using a variety of methods, such as NMR, UV–vis, FT-IR, magnetic susceptibility, elemental analysis, and molar conductivity. The spectrum of the data indicates that the geometry of the complex molecular structures is octahedral with six coordination sites. The ligand and its different metal complexes were tested in a human lung cancer cell line and a normal embryonic kidney cell line. A cytotoxic assay revealed that L-Cu is the most potent chelate against cancer cell lines. A computational study was performed to rationalize this finding. The binding potential of relatively active compounds to a suitable target was analyzed. For this purpose, a target that is known to be inhibited by small compounds with a scaffold similar to that of the synthesized compounds, lysine-specific demethylase 1 (LSD1), was first determined. Molecular docking studies demonstrated that L-Cu has a high binding potential to LSD1 at a level comparable to that of a standard ligand. Molecular dynamics (MD) simulations revealed that L-Cu and L form stable complexes with the enzyme. Furthermore, the MD simulation study showed that L-Cu remained inside the binding pocket of the enzyme during the 200 ns simulation period. Density functional theory (DFT) studies demonstrated that the chemical stability of L was higher than that of its chelate form, L-Cu.

The present study discloses the fabrication of efficient p–n heterojunctions using n-type polymeric bulk carbon nitride (b-CN, E_g = 2.7 eV) or exfoliated nanosheets of carbon nitride (NSCN, E_g = 2.9 eV) with p-type spinel ferrite CaFe₂O₄ (CFO, E_g = 1.9 eV) for photocatalytic hydrogen generation. A series of p–n combinations were fabricated and characterized by various techniques. The oxide–carbon nitride interactions, light absorption, band alignment at the interface, and water/H₃O⁺ adsorption capability were elucidated over heterojunctions and correlated with the photocatalytic hydrogen yield. The main developments in the present study are as follows: (1) All heterojunctions were more active than pure phases. (2) The photocatalytic activity trend validated an increase in the lifetime of charge carriers from TRPL. Pt(1 wt %)–CFO(1 wt %)/NSCN (481.5 μmol/h/g under ultraviolet (UV)–visible-simulated light, 147.5 μmol/h/g under CFL illumination for 20 h, τ_avg = 10.33 ns) > Pt–NSCN > Pt–CFO/b-CN > CFO/NSCN > CFO/b-CN > NSCN > Pt/b-CN > mechanical mixture (MM) of 1 wt %CFO + NSCN–MM > 1 wt %CFO + b-CN–MM > CFO > b-CN (τ_avg = 4.5 ns). (3) Pt–CFO/NSCN was most active and exhibited 250 times enhanced photocatalytic activity as compared to parent bulk carbon nitride, 6.5 times more active than CFO/NSCN, and twice more active than Pt–NSCN. Thus, enhanced activity is attributed to the smooth channelizing of electrons across p–n junctions. (4) NSCN evidently offered improved characteristics as a support and photocatalyst over b-CN. The exfoliated NSCN occupied a superior few-layer morphology with 0.35 nm width as compared to parent b-CN. NSCN allowed 57% dispersion of 6 nm-sized CFO, while b-CN supported 14% dispersion of 7.8 nm-sized CFO particles, as revealed by small-angle X-ray scattering spectroscopy (SAXS). Sizes of 2–4 nm were observed for Pt nanoparticles in the 1 wt %Pt/1 wt % CFO/NSCN sample. A binding energy shift and an increase in the FWHM of X-ray photoelectron spectroscopy (XPS) core level peaks established charge transfer and enhanced band bending on p–n contact in Pt–CFO/NSCN. FsTAS revealed the decay of photogenerated electrons via trapping in shallow traps (τ_1, τ₂) and deep traps (τ₃). Lifetimes τ₁ (3.19 ps, 42%) and τ₂ (187 ps, 31%) were higher in NSCN than those in b-CN (τ₁ = 2.2 ps, 42%, τ₂ = 30 ps, 31%), which verified that the recombination reaction rate was suppressed by 6 times in NSCN (k₂ = 0.53 × 10¹⁰ s^–1) as compared to b-CN (k₂ = 3.33 × 10¹⁰ s^–1). Deep traps lie below the H⁺/H₂ reduction potential; thus, electrons in deep traps are not available for photocatalytic H₂ generation. (5) The role of CFO in enhancing water adsorption capability was modeled by molecular dynamics. NSCN or b-CN both showed very poor interaction with water molecules; however, the CFO cluster adsorbed H₃O⁺ ions very strongly through the electrostatic interaction between calcium and oxygen (of H₃O⁺). Pt also showed a strong affinity for H₂O but not for H₃O⁺. Thus, both CFO and Pt facilitated NSCN to access water molecules, and CFO further sustained the adsorption of H₃O⁺ molecules, crucial for the photocatalytic reduction of water molecules. (6) Band potentials of CFO and NSCN aligned suitably at the interface of CFO/NSCN, resulting in a type-II band structure. Valence band offset (VBO, ΔE_VB) and conduction band offset (CBO, ΔE_CB) were calculated at the interface, resulting in an effective band gap of 1.41 eV (2.9 – ΔE_VB = 1.9 – ΔE_CB), much lower than parent compounds. The interfacial band structure was efficient in driving photogenerated electrons from the CB of CFO to the CB of NSCN and holes from the VB of NSCN to the VB of CFO, thus successfully separating charge carriers, as supported by the increased lifetime of charge carriers and favorable photocatalytic H₂ yield.

CARM1 is an arginine methyltransferase that has crucial roles in a number of cellular pathways and is being explored as a therapeutic target in diseases such as cancer and neurodegenerative disorders. Its deregulation at the protein level was found to have potential prognostic value, and as such, its protein levels are regularly assessed through the common practice of western blotting (WB). Our group uncovered that CARM1 has biochemical properties that complicate its analysis by standard WB sample preparation techniques. Here, we show that CARM1 has the ability to form SDS-resistant aggregates that effectively hinder gel migration in SDS-PAGE. CARM1 levels and the temperature at the denaturation step can both influence CARM1 aggregation, which prompts the use of additional measures to ensure representative detection at the protein level. We have demonstrated the formation of CARM1 aggregates in both cell and tissue extracts, making these findings an important consideration for any CARM1-related study. We also show how aggregate formation in models of CARM1 overexpression can hinder proteomic studies. Having identified factors that can induce CARM1 aggregation, we suggest alternative sample preparation techniques that allow for clear resolution of the protein in stringent denaturing conditions while avoiding aggregation.

l-asparaginase is an enzyme catalyzing the hydrolysis of l-asparagine into l-aspartate and ammonia, which is of great therapeutic importance in tumor treatment. However, commercially available enzymes are associated with adverse effects, and searching for a new l-asparaginase with better pharmaceutical properties was the aim of this work. The coding sequence for Mycobacterium smegmatis l-asparaginase (MsA) was cloned and expressed. The recombinant protein showed high activity toward l-asparagine, whereas none was detected for l-glutamine. The enzymatic properties (K_m = 1.403 ± 0.24 mM and k_cat = 708.1 ± 25.05 s^–1) indicate that the enzyme would be functional within the expected blood l-asparagine concentration, with good activity, as shown by k_cat. The pH and temperature profiles suggest its use as a biopharmaceutical in humans. Molecular dynamics analysis of the MsA model reveals the formation of a hydrogen bond network involving catalytic residues with l-asparagine. However, the same is not observed with l-glutamine, mainly due to steric hindrance. Additionally, the structural feature of residue 119 being a serine rather than a proline has significant implications. These findings help explain the low glutaminase activity observed in MsA, like what is described for the Wolinella succinogenes enzyme. This establishes mycobacterial asparaginases as key scaffolds to develop biopharmaceuticals against acute lymphocytic leukemia.

Manganese is a transition metal that is an essential trace element for human health. Manganese ions (Mn²⁺), which serve as one of the most common transition metal ions, play vital roles in enhancing innate immune responses. However, immune agonists based on Mn²⁺ are poorly utilized in clinical trials due to poor chemodynamics and adverse events. In this work, we designed a novel delivery carrier for loading manganese ions by constructing hFn-MT3(Mn²⁺) protein nanoparticles (termed as NPs(Mn²⁺)), which contained human ferritin heavy chain (hFn) and metallothionein-3 (MT3), induced by isopropyl β-d-thiogalactoside (IPTG) and manganese ions in the prokaryotic expression system. The NPs(Mn²⁺) protein nanoparticles could not only stimulate immune cell proliferation but also activate innate immune responses via the cGAS-STING-IRF3 signaling pathway. Collectively, our results unveil a candidate strategy for delivering metal ions beyond Mn²⁺ and may broaden metal ion clinical use in the field of immunotherapies.

The prominence of fentanyl and fentanyl analogues or Fentanyl Related Substances (FRS) has driven a nationwide crisis of opioid overdoses, which significantly presents an issue for public health and safety. Originally developed for medical purposes, fentanyl and FRS have become critical contributors to opioid overdose deaths due to their distribution, availability, and potency. This study examined toxicodynamic properties between butyrylcholinesterase (BChE) and fentanyl analogues via Ellman’s assay. The enzymatic function of BChE was significantly inhibited by each of the 5 fentanyl analogues tested, which indicates the potential for utilization of this interaction. This reaction can be immobilized for a portable, single-use kit to detect FRS directly from any surface on-site. This would immensely benefit society by reducing the frequency of exposure and overdoses by providing additional safety measures to law enforcement and first responders.

Surface-enhanced Raman spectroscopy (SERS) is a vibrational spectroscopic technique with molecular fingerprinting capability and high sensitivity, even down to the single-molecule level. As it is 50 years since the observation of the phenomenon, it has now become an important task to discuss the challenges in this field and determine the areas of development. Electromagnetic enhancement has a mature theoretical explanation, while a chemical mechanism which involves more complex interactions has been difficult to elucidate until recently. This article focuses on the 2D material-based platforms where chemical enhancement (CE) is a significant contributor to SERS. In the context of a diverse range (transition metal dichalcogenides, MXenes, etc.) and categories (insulating, semiconducting, semimetallic, and metallic) of 2D materials, the review aims to realize the influence of various factors on SERS response such as substrates (layer thickness, structural phase, etc.), analytes (energy levels, molecular orientation, etc.), excitation wavelengths, molecular resonances, charge-transfer transitions, dipole interactions, etc. Some examples of special treatments or approaches have been outlined for overcoming well-known limitations of SERS and include how CE benefits from the defect-induced physicochemical changes to 2D materials mostly via the charge-transport ability or surface interaction efficiency. The review may help readers understand different phenomena involved in CE and broaden the substrate-designing approaches based on a diverse set of 2D materials.