ASAP (As Soon As Publishable)

CO₂ chemisorption using amine-based sorbents is one of the most effective techniques for carbon capture and storage. Solid CO₂ sorbents with amines immobilized on their surface have been attracting attention due to the easy collection of sorbents and reusability. In this study, we developed a solid CO₂ adsorbent by co-condensation of a silanizing reagent having a chloroalkyl group and tetraethyl ethoxysilane, followed by alkylation of the chloroalkyl group with diamine. The fabricated amine-immobilized silica with a high density of amino groups on its surface achieved the chemical adsorption of 400 ppm of CO₂ with 4.3 wt_CO2 % loading, CO₂ release upon heating at 80 °C, and reusability for adsorption and desorption cycles with high amine utilization efficiency (0.20 mol_CO2/mol_–N). This surface modification method is applicable to various amines bearing more than two amino functional groups, enabling the development of solid CO₂ sorbents for the selective capture of low-concentration CO₂ directly from the air.

The electrochemically induced reaction between alkenes, bearing an allylic hydrogen atom, and N-hydroxyphthalimide was investigated. Cross-dehydrogenative C–O coupling with phthalimide-N-oxyl radical, derived from N-hydroxyphthalimide, occurs instead of oxidation of the allylic site, with the formation of a carbonyl group or functionalization of the double C═C bond. The discovered transformation proceeds in an undivided electrochemical cell equipped with a carbon felt anode and a platinum cathode. Coupling products were obtained with yields up to 79%. The developed process is based on the abstraction of hydrogen atom from the allylic position for functionalization while the C═C bond remains unreacted. The method exploits the ability of the phthalimide-N-oxyl radical to abstract hydrogen atoms with the following interception of the intermediate C-centered radical.

The demand for compact energy storage devices necessitates the development of high-performance anode materials directly integrated with current collectors, minimizing or eliminating the need for binders or additives. With its layered structure and high theoretical capacity, molybdenum disulfide (MoS₂) is regarded as a promising anode material for lithium-ion batteries (LIBs). Here, we report chemical vapor deposition (CVD) growth of self-integrated, vertically aligned MoS₂ nanosheets with embedded molybdenum dioxide (MoO₂) directly on a molybdenum foil and explore its potential as an anode material for LIBs. The results show that the formation of the MoO₂/MoS₂ hybrid structure occurs through partial conversion of the initially grown MoO₂ crystals to MoS₂ layers under controlled sulfurization reactions. The self-integrated hybrid material, devoid of additional conductive or binder agents, exhibits remarkably efficient transfer of ions and electrons, facilitated by the high electrical conductivity of MoO₂ and exposed active sites of MoS₂. Electrochemical studies reveal an impressive areal capacity of 253 μA h cm^–2 for the MoO₂/MoS₂ hybrid material on a molybdenum foil. In addition, the Li-ion diffusion coefficient value is estimated to be 0.798 × 10^–10 and 1.14 × 10^–10 cm²/s for the delithiation and lithiation processes, respectively. The capacity of LIBs can be significantly enhanced by engineering the MoO₂/MoS₂ anode material, making it a promising candidate for overcoming the limitations of single-anode materials. Our findings show that CVD can be a potential approach toward the fabrication of binder and conducting agent-free anodes directly on current collectors for advanced LIBs.

Targeting nonapoptotic cell death offers a promising strategy for overcoming apoptosis resistance in cancer. In this study, we developed Tat-Ram13, a 25-mer peptide that fuses the NOTCH1 intracellular domain fragment RAM13 with a cell-penetrating HIV-1 TAT, for the treatment of T-cell acute lymphoblastic leukemia with aberrant NOTCH1 mutation. Tat-Ram13 significantly downregulated NOTCH1-target genes in T-ALL cell lines. Furthermore, the peptide had potent cytotoxic effects on various human leukemia and lymphoma cell lines. However, it did not affect normal lymphocytes and monocytes, some subsets of leukemia cells, or adherent tumor cells. This cell-selective cytotoxic activity was closely correlated with the peptide uptake via macropinocytosis in leukemia cells. In leukemia cells, Tat-Ram13 triggered rapid cell death. This cell death involved mitochondrial membrane depolarization and extracellular release of lactate dehydrogenase and high-mobility group box-1 protein without activation of caspase-3 or cleavage of PARP-1. These results suggest that Tat-Ram13 cell death is nonapoptotic and mediated by rapid plasma membrane rupture. Moreover, alanine scanning analysis identified four critical hydrophobic amino acids in the RAM13 domain essential for its cytotoxicity. Consequently, these results suggest that Tat-Ram13 is a tumor-selective, nonapoptotic cell death-inducing agent for treating refractory leukemia and lymphomas with apoptosis resistance.

There has been a marked increase in interest in high-temperature superconductors over the past few years, sparked by their potential to revolutionize multiple fields, including energy generation and transportation. A particularly promising avenue of exploration has emerged in the form of ternary superhydrides, compounds composed of hydrogen along with two other rare-earth elements. Our investigation focuses on the search for Y–Th–H ternary compounds; employing an evolutionary search methodology complemented by electron–phonon calculations reveals a stable superhydride, P6̅m2-YThH₁₈, capable of exhibiting a critical temperature (T_c) as high as 222 K at 200 GPa along a few low-T_c novel hydrides. Our analysis explores the possibility of alloyed structure formation from the disordered condition of Th-doped YH₉ and establishes that the P6̅m2-YThH₁₈ is indeed a structurally ordered structure. This opens up an exciting avenue for research on multinary superhydrides, which could facilitate experimental synthesis and provides potential implications for high-temperature superconductivity research.

Indoor environments are particularly vulnerable to microplastics (MPs) and associated copollutants due to limited air circulation and particulate matter accumulation. Continuous monitoring is essential to evaluate exposure levels and health risks. We propose using indoor spider webs as passive monitors for MPs and their copollutants. MPs were found in both web and dust samples with nonuniform distribution (p < 0.05), indicating contamination hotspots. Web samples had significantly higher MP levels (138–33,570 MPs/g) compared to dust samples (59–9324 MPs/g). A strong positive correlation (r = 0.93, p < 0.05) between MPs in dust and webs suggests that spider webs are effective bioindicators of indoor MP contamination. The study also revealed the presence of Bisphenol A and various phthalic acid esters (PAEs). Co-pollutant concentrations ranged from 52.02–1971.78 μg/kg in webs and 43.18–518.42 μg/kg in dust. Diethyl phthalate (DEP) was more common in webs, while Dibutyl phthalate (DBP) predominated in dust. These findings highlight spider webs’ potential as both effective biomonitoring tools and significant sinks for MPs and their cocontaminants in indoor environments.

Erythritol is a latent heat storage material suitable for the utilization of unused heat in the medium temperature range of 100–250 °C. However, the supercooling characteristic of sugar alcohols reduces the energy utilization efficiency. In this study, erythritol and its fluorine analogues are mixed to suppress supercooling. Erythritol mixed with 2,3-difluorobutane-1,4-diol at a weight ratio of 1% is determined to be effective in suppressing supercooling. This indicates the possibility of utilizing energy more efficiently.

Hydrophobic materials have been fabricated by DLP vat photopolymerization of isobornyl acrylate-based resins with chemical modification and/or surface geometry engineering. Fluorinated and polydimethylsiloxane (PDMS)-based acrylic monomers are used for chemical modification and are incorporated into the printed materials. The water wettability was significantly reduced and plateaued with as low as 5% (w/w) of the auxillary hydrophobic monomer. Regarding surface geometry, meshes with different pore sizes are 3D printed, and the surface hydrophobicity increased with the pore size. We compare the oil–water separation efficiency of the 3D-printed meshes hydrophobized by these three approaches. It was found that the isobornyl acrylate-based resin already demonstrated separation at the optimum pore size. Modification with PDMS showed a further improvement in separation efficiency, whereas no significant increase was observed by use of the fluorinated monomer. This highlights that careful design of surface geometry should be considered to avoid the use of environmentally unfriendly and potentially toxic chemicals when making hydrophobic materials.

Cancer is characterized by uncontrolled cell growth and spreading throughout the body. This study employed computational approaches to investigate 18 naturally derived anticancer piscidinol A derivatives (1–18) as potential therapeutics. By examining their interactions with 15 essential target proteins (HIF-1α, RanGAP, FOXM1, PARP2, HER2, ERα, NGF, FAS, GRP78, PRDX2, SCF complex, EGFR, Bcl-xL, ERG, and HSP70) and comparing them with established drugs such as camptothecin, docetaxel, etoposide, irinotecan, paclitaxel, and teniposide, compound 10 emerged as noteworthy. In molecular dynamics simulations, the protein with the strongest binding to the crucial 1A52 protein exceeded druglikeness criteria and displayed extraordinary stability within the enzyme’s pocket over varied temperatures (300–320 K). Additionally, density functional theory was used to calculate dipole moments and molecular orbital characteristics, as well as analyze the thermodynamic stability of the putative anticancer derivatives. This finding reveals a well-defined, potentially therapeutic relationship supported by theoretical analysis, which is in good agreement with subsequent assessments of their potential in vitro cytotoxic effects of piscidinol A derivatives (6–18) against various cancer cell lines. Future in vivo and clinical studies are required to validate these findings further. Compound 10 thus emerges as an intriguing contender in the fight against cancer.

Hydrogen (H₂) is a viable alternative as a sustainable energy source, however, new highly efficient electrocatalysts for water splitting are still a research challenge. In this context, metal–organic frameworks (MOFs)-derived nanomaterials are prominent high-performance electrocatalysts for hydrogen production, especially in the oxygen evolution reaction (OER). Here, a new synthesis of two cerium oxide (CeO₂) electrocatalysts using Ce-succinates MOFs as templates is proposed. The cerium succinates polymorphs ([Ce₂(Succ)₃(H₂O)₂], Succ = succinate ligand) were obtained via hydrothermal reaction and room temperature crystallization, adopting monoclinic (C/2c) and triclinic (P1̅) crystalline structures, respectively, confirmed by X-ray diffraction (XRD). MOFs-Ce were also characterized by infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). CeO₂ electrocatalysts were obtained via MOFs-Ce calcination at 350 °C in air, and characterized by XRD with Rietveld refinement, HRTEM, SEM, FT-IR, and Raman spectroscopy, UV–vis spectroscopy, X-ray photoelectron spectroscopy. Electrocatalytic performances were investigated in KOH 1.0 M solution, and overpotentials were η = 326 mV (for CeO₂ (H) from monoclinic MOF-Ce) and η = 319 mV (for CeO₂ (RT) from the triclinic MOF-Ce) for a current density of 10 mAcm^–2. The Tafel slope values show the adsorption of intermediate oxygenated species as the rate-determining step. The high values of double-layer capacitance, the presence of oxygen vacancies, and low charge transfer resistance agree with the high performance in OER. Additionally, the materials were stable for up to 24 h, according to chronopotentiometry results.

Aluminum-air batteries (AABs) are considered among high-power battery systems with various potential applications. However, the strong self-corrosion of Al in alkaline electrolytes negatively affects its Coulombic efficiency and significantly limits their large-scale application. This work presents the use of cetylpyridinium chloride (CPC) as an inexpensive and environmentally benign electrolyte additive in alkaline AABs. Hydrogen evolution test, electrochemical measurement, and surface analysis techniques were used to investigate the inhibition effects of CPC additive for the Al anode. The potentiodynamic polarization data indicated that the effectiveness of the CPC in inhibiting corrosion increased proportionally with higher CPC concentration. The maximum inhibition efficiency of 53.6% was achieved at a CPC dosage of 5 mM. The hydrogen evolution experiment revealed that the rate of hydrogen evolution decreased from 0.789 mL cm^–2 min^–1 for the pristine NaOH solution to 0.415 mL cm^–2 min^–1. The combination of X-ray photoelectron spectroscopy (XPS) and ab initio molecular dynamics (AIMD) provides conclusive evidence that CPC may adhere to the surface of Al and create a protective film. These findings indicate that CPC is successful in preventing the self-corrosion of the Al anode. Additionally, the Al anode has improved electrochemical characteristics, including a high specific capacity of 2041 mAh g^–1 and a high energy density of 2874 Wh kg^–1. This work focuses on the inhibition of self-corrosion of Al and provides novel insights for the design and development of effective additives for AABs.

Carbon nanotubes (CNTs) have emerged as one of the most capable and interesting materials in recent decades and have extraordinary mechanical properties (MPs) and resourceful applications in bioengineering and medicine. Equilibrium molecular dynamics simulations have been performed to investigate the structural and MPs of armchair, chiral, and semiconducting and metallic zigzag single-walled CNTs (SWCNTs) under varying temperature T (K) and compressive and tensile strains ±γ (%) with reactive bond-order potential. New results elaborate on the buckling and deformation mechanisms of the SWCNTs through deep analyses of density profiles, radial distribution functions, structural visualizations, and stress–strain interactions. Density profile and structural visualizations of SWCNTs provide the understanding of atomic arrangements and structural changes under varying ±γ (%) strains. The structure of SWCNT configurations is changed at varying ±γ (%) and T (K) and radial distribution functions present the appropriate peaks for buckling and deformation states. It has been shown that the mechanical responses of different chirality of the SWCNTs clarify the variations in tensile strength in terms of T (K) and chirality. Stress–strain analyses reveal that the metallic zigzag and armchair SWCNTs have superior tensile strength as compared to chiral ones, having the lowest tensile strength. Simulation results show that yield strength, ultimate tensile strength, and Young’s modulus are higher for metallic zigzag and armchair SWCNTs at room T (K) and overall decrease with increasing T (K). However, the ultimate strain of semiconducting zigzag and armchair SWCNTs is higher as compared to other configurations, and it reflects the MPs of SWCNTs have to shed light on potential applications in nanotechnology and material sciences.

Exposure to high temperatures during indoor and outdoor activities increases the risk of heat-related illness such as cramps, rashes, and heatstroke (HS). Fatal cases of HS are ten times more common than serious cardiac episodes in sporting scenarios, with untreated cases leading to mortality rates as high as 80%. Enhancing thermal comfort can be achieved through heat loss in enclosed spaces and the human body, utilizing heat transfer mechanisms such as radiation, conduction, convection, and evaporation, which do not require initial energy input. Among these, two primary mechanisms are commonly employed in the textile industry to enhance passive cooling: radiation and conduction. The radiation approach encompasses two aspects: (1) reflecting solar spectrum (SS) wavelengths and (2) transmitting and emitting in the atmospheric window (AW). Conduction involves dissipating heat through materials with a high thermal conductivity. Our study focuses on the combined effect of these radiative and conductive approaches to increase thermal energy loss, an area that has not been extensively studied to date. Therefore, the main objective of this project is to develop, characterize, and evaluate a nanocomposite polymeric textile system using electrospinning, incorporating graphene oxide (GO) nanosheets and titanium dioxide nanoparticles (TiO₂ NPs) within a recycled polyethylene terephthalate (r-PET) matrix to improve thermal comfort through the dissipation of thermal energy by radiation and conduction. The textile system with a 5:1 molar ratio between TiO₂ NPs and GO demonstrates 89.26% reflectance in the SS and 98.40% transmittance/emittance in the AW, correlating to superior cooling performance, with temperatures 20.06 and 1.27 °C lower than skin temperatures outdoors and indoors, respectively. Additionally, the textile exhibits a high thermal conductivity index of 0.66 W/m K, contact angles greater than 120°, and cell viability exceeding 80%. These findings highlight the potential of the engineered textiles in developing high-performance sports cooling fabrics, providing significant advancements in thermal comfort and safety for athletes.

Janus micro- and nanoparticles, featuring unique dual-interface designs, are at the forefront of rapidly advancing fields such as optics, medicine, and chemistry. Accessible control over the position and orientation of Janus particles within a cluster is crucial for unlocking versatile applications, including targeted drug delivery, self-assembly, micro- and nanomotors, and asymmetric imaging. Nevertheless, precise mechanical manipulation of Janus particles remains a significant practical challenge across these fields. The current predominant methods, based on fluid flow, thermal gradients, or chemical reactions, have their precision and applicability limited by the properties of their background fluids. Therefore, this study proposes electrostatics to deliberately control the local orientation of optically asymmetric Janus particles (spherical and matchstick-like hybrid metal–dielectric objects) within a cluster to overcome the aforementioned restraints. We introduce a sophisticated multiphysics platform and employ it to explore and unveil the infrastructural physics behind the mechanical behavior of the particles when subjected to electrostatic stimuli in an ionic environment. We investigate how different deterministic and stochastic variables affect the particles’ short- and long-term responses. By judicious engineering of amplitude, direction, and polarization of the external excitation, we demonstrate that the particles tend to undergo the desired rotational motion and converge to favorable orientations. The functionality of our approach is showcased in the context of an asymmetric imaging system based on optically asymmetric Janus particles. Our findings suggest a viable platform for adequate mechanical manipulation of Janus particles and pave the way for enabling numerous state-of-the-art applications in various fields.

Mercury (Hg) determination in marine sediment is an analytical challenge due to the toxicity of this element even at low concentrations (up to 130 μg kg^–1 in marine sediments) and complex matrices. Therefore, it is necessary to use analytical techniques that have high sensitivity, selectivity, and low limits of quantification (LoQ). In this study, two methods that require sample treatment and one method with direct sampling were studied. The techniques studied were inductively coupled plasma mass spectrometry (ICP-MS), inductively coupled plasma optical emission spectrometry with cold vapor generation (CV-ICP-OES), and atomic absorption spectrometry with thermodecomposition and amalgamation (TDA AAS) for Hg determination in marine sediment samples. Since ICP-MS has more studies in the literature, optimization with design of experiments was developed for CV-ICP-OES and TDA AAS. Although it was found to have low levels of instrumental LoQ for all three techniques, differences were found once the method LoQ was calculated. The calculation for method LoQ considers all analytical procedures executed, including sample treatment, which provides a 100-fold dilution for ICP-MS and CV-ICP-OES. The method LoQ obtained were 1.9, 165, and 0.35 μg kg^–1 for ICP-MS, CV-ICP-OES, and TDA AAS, respectively. Comparing marine sediment sample analyses, Hg concentrations had no statistical difference when determined by ICP-MS and TDA AAS. It was not possible to determine Hg in marine sediment samples by CV-ICP-OES due to the high method LoQ obtained (165 μg kg^–1). Although ICP-MS has the advantage of being a multielemental technique, it is high-value equipment and needs a large volume of argon, which has a high cost in the market, and it requires sample treatment. On the other hand, TDA AAS-based spectrometer DMA-80 performs direct sampling, avoiding the pretreatment stage, and has a relatively lower cost, both in terms of initial investment and maintenance, while maintaining the high sensitivity, accuracy, and precision required for Hg determination on marine sediment samples.

FcγRI plays a crucial role in the effector function of IgG antibodies, interacting with the lower hinge region of IgG1 with nanomolar affinity. Binding occurs specifically in domain 2 (D2) of the FcγRI ectodomain, while domain 3 (D3) is a flexible linker. The D3 domain is positioned away from the IgG binding site on the FcγRI and does not directly contact the Fc region. This study investigates the structural and functional properties of FcγRI D3 using 200 ns classical MD simulations of two models: (1) a full FcγRI ectodomain complex with Fc and (2) a truncated model excluding D3. Our findings suggest that the D3 ectodomain provides additional structural flexibility to the FcγRI–Fc complex without altering the C backbone motion or flexibility of the KHR binding motif in the FG loop. Critical residues involved in binding and contributing to complex stability were evaluated regarding changes in intramolecular interactions and destabilization tendency upon D3 truncation. Truncation did not significantly alter interactions around glycan-interacting residues in Fc chains or FcγRI–Fc binding interfaces. These findings provide valuable insights into the role of FcγRI D3 in modulating the structural dynamics of the FcγRI–Fc complex. While D3 does not directly contact Fc, its mobility and positioning may modulate the receptor’s affinity, accessibility, and ability to bind IgG immune complexes. We suggest that a truncated FcγRI construct lacking the D3 domain may be a promising candidate for biosensor or capturing agents’ development and optimization, offering improved performance in IgG capture assays without compromising critical binding interactions.

To investigate the quality and safety difference between agricultural standardization bases and small-scale farmers, we carried out a three-year investigation of asparagus from seven production sites of different sizes in Pinghu city, Zhejiang Province, China, from 2021 to 2023. We documented trace elements (Fe, Zn, Mn, and Cu), quality indicators (vitamin B1, vitamin B2, vitamin C, total sugar, and proteins), and pesticide residues. The evaluation indicated that the quality of asparagus in standardization bases 1–4 was higher than that in small farmer sites 5–7. The detection rate of pesticides in asparagus was 23.81% (15/63), with a low concentration range of 0.001–0.130 mg mL^–1. Low pesticide levels reflect Pinghu’s effective green pest control measures. Results showed that the quality and safety of asparagus at the standardization bases are superior to those at small-scale farmer sites, and our findings may inform better management practices for both large-scale and small-scale asparagus farmers.

The fly ash generated by coal combustion is one of the main sources of PM2.5, so the particulate matter removal technology of coal-fired boilers is receiving increasing attention. Turbulent agglomeration has emerged as a powerful tool for improving the efficiency of removing fine particulates from environments, sparking interest in its study. Our research meticulously investigated the influence of cylindrical vortex wakes on particle flow, agglomeration patterns, and the dynamics between fluids and particles. By employing a novel hybrid computational approach that integrates the discrete element method (DEM) with large Eddy simulation (LES), we were able to accurately simulate particle–particle interactions. The study focused on understanding how particles with different diameters (2, 5, 10, and 20 μm), densities (2,500, 5,000, 7,500, and 10,000 kg·m^–3), and surface energies (0.01, 0.1, and 1 J·m^–2) behaved within transitioning shear layer flow conditions. Our findings revealed that particles tended to congregate in areas of lower vorticity, with larger and denser particles demonstrating greater agglomeration efficiency due to their resilience against turbulent forces. Conversely, particles of lower density formed smaller agglomerates as their susceptibility to shear forces increased. Additionally, the study discovered that higher surface energies enhance adhesion, leading to the formation of larger agglomerates.

This study optimizes immunofluorescence techniques using gold nanoparticles (AuNPs) to improve visualization of endothelial nitric oxide synthase (eNOS) in gill tissue. Two types of AuNP dispersions, stabilized in phosphate buffered saline (PBS) and citrate buffer (CB), were evaluated for their imaging performance. AuNPs suspended in PBS provided significantly better optical contrast due to uniform distribution and effective tissue attachment, whereas citrate-suspended AuNPs exhibited aggregation, resulting in reduced contrast. These results highlight the influence of suspension media on AuNP performance, particularly in balancing fluorescence signals to improve contrast. The PBS suspension allowed clearer visualization of eNOS, highlighting the role of AuNP compatibility in improving immunofluorescence results. This study highlights the importance of strategic selection of AuNP dispersions in contrast agent design and provides insights for advanced imaging applications where sensitivity and accurate localization of biomolecules are essential. By refining the use of AuNPs as contrast enhancers, this approach offers potential improvements in bioimaging accuracy, facilitating more precise visualization in complex tissue environments.

The use of peptides for cancer immunotherapy is a promising and emerging approach that is being intensively explored worldwide. One such peptide, GK-1, has been shown to delay the growth of triple-negative breast tumors in mice, reduce their metastatic capacity, and reverse the intratumor immunosuppression that characterizes this model. Herein, it is demonstrated that GK-1 is taken up by bone marrow dendritic cells in a dose-dependent manner 15 min after exposure, more efficiently at 37 °C than at 4 °C, implying an entrance into the cells by energy-independent and -dependent processes through clathrin-mediated endocytosis. Theoretical predictions support the binding of GK-1 to the hydrophobic pocket of MD2, preventing it from bridging TLR4, thereby promoting receptor dimerization and cell activation. GK-1 can effectively activate cells via a TLR4-dependent pathway based on in vitro studies using HEK293 and HEK293-TLR4-MD2 cells and in vivo using C3H/HeJ mice (hyporesponsive to LPS). In conclusion, GK-1 enters the cells by passive diffusion and by activation of the transmembrane Toll-like receptor 4 triggering cell activation, which could be involved in the GK-1 antitumor properties.

The Chepaizi Uplift, situated on the western edge of the Junggar Basin in northwestern China, has recently become a significant target area for in situ leach sandstone-type uranium exploration. The Neogene Shawan Formation, a newly identified uranium-bearing layer, has gained considerable attention for its potential. This study utilizes scanning electron microscopy (SEM), X-ray powder diffraction (XRD), whole-rock geochemistry, and electron probe microanalysis (EPMA) of uranium minerals. Combined with sedimentological and tectonic background analysis, these methods were applied to investigate geochemical characteristics and uranium mineralization processes. The sandstones in the Shawan Formation are primarily lithic sandstone and subarkose, with the provenance dominated by felsic rocks from the upper crust. Coffinite is the predominant uranium mineral, accompanied by titanium–uranium oxides and minor amounts of pitchblende. Coffinite appears as colloidal coatings around framboidal pyrite, in short-prismatic aggregates corroding albite, and as banded structures within calcite cement. Elemental ratios indicate that the Shawan Formation’s paleo-hydrological environment was arid, continental, and brackish, with paleo-redox conditions reflecting a hot, dry climate. Uranium mineralization occurred in two stages: initially, uranium-containing oxygenated waters migrated laterally across slope zones, forming a redox transition zone and resulting in the pre-enrichment of uranium. Subsequently, hydrocarbons migrated along faults and unconformities, leading to secondary reduction of the interlayer oxidation zone and resulting in uranium enrichment and mineralization at the interface of grayish-green and gray sandstone layers.

The escalating global water scarcity demands innovative solutions, one of which is hydroponic vegetable cultivation systems that increasingly use reclaimed wastewater. Nevertheless, even treated wastewater may still harbor various emerging organic contaminants, including pharmaceuticals. This study aimed to comprehensively assess the impact of pharmaceuticals, focusing on bioconcentration factors (BCFs), translocation factors (TFs), pharmaceutical persistence in aqueous environment, ecotoxicological end points, and associated environmental and health risks. Lettuce (Lactuca sativa) was cultivated hydroponically throughout its entire growth cycle, exposed to seven distinct concentration levels of contaminants ranging from 0 to 500 μg·L^–1 over a 35-day period. The findings revealed a diverse range of BCFs (2.3 to 880 L·kg^–1) and TFs (0.019–1.48), suggesting a high potential of pharmaceutical uptake and translocation by L. sativa. The degradation of 20 pharmaceuticals within the water-lettuce system followed first-order degradation kinetics. Substantial ecotoxicological effects on L. sativa were observed, including increased mortality, alterations in root morphology and length, and changes in biomass weight (p < 0.05). Furthermore, the estimated daily intake of pharmaceuticals through L. sativa consumption suggested considerable health risks, even if lettuce would be one of the many vegetables consumed. It is hypothetical, as the values were calculated. Moreover, this study assessed the environmental risk associated with the emergence of antimicrobial resistance (AMR) in aquatic environments, revealing a significantly high risk of AMR emergence. In conclusion, these findings emphasize the multifaceted challenges posed by pharmaceutical contamination in aquatic environments and the necessity of proactive measures to mitigate associated risks to both environmental and human health.

We have investigated the Raman spectrum and excitonic effects of the novel 2D Ta₂Ni₃Te₅ structure. The monolayer is an indirect band gap semiconductor with an electronic band gap value of 0.09 and 0.38 eV, determined using GGA-PBE and HSE06 exchange-correlation functionals, respectively. Since this structure is energetically, dynamically, and mechanically stable, it could be synthesized as a free-standing material. We identify 10 Raman- and 10 infrared-active modes for various laser energies, including those commonly used in Raman spectroscopy experiments. It was also observed that the contribution of Ni atoms is minimal in most Raman vibrational modes. In contrast, most infrared vibrational modes do not involve the vibration of the Ta atoms. As far as the optical properties are concerned, this monolayer shows a robust linear anisotropy, an exciton binding energy of 287 meV, and a high reflectivity in the ultraviolet region, which is more intense for linear light polarization along the x direction.

Soft robots have developed gradually in the fields of portability, high precision, and low noise level due to their unique advantages of low noise and low energy consumption. This paper proposes an electromagnetically driven elastomer, using gelatin and glycerol (GG) as matrix materials and a mixture of multiwalled carbon nanotubes (MWCNTs) and Ag NWs (MA) as the conductive medium. Inchworm-inspired and spider-inspired soft robots have been developed, demonstrating fast movement speed, flexibility, and loading performance. The GG/MA elastomer with a 1:1.2 ratio shows a low elastic modulus and easy demolding. With a 1:1 mixing ratio of MWCNT and Ag NWs, the elastomer exhibits excellent conductivity, torsional stability, and fatigue resistance. The inchworm-inspired soft robot achieves an average speed of 3 mm/s, while supporting weights of grains and capsule at 2.5 and 2.3 mm/s, respectively. The spider-inspired soft robot demonstrates a maximum carrying capacity of 22 g, showcasing its load-bearing capabilities. Overall, the GG/MA elastomer-based soft robot exhibits exceptional flexibility, adaptability, and reliability, with potential in various fields such as goods transportation, safety monitoring, and disaster relief.

Photocatalysts composed of ZnSe nanorods were prepared by using a glancing angle deposition technique facilitated by electron beam evaporation equipment. To enhance the photocatalytic efficiency of ZnSe, a vulcanization process was introduced. The impact of various parameters, including curing temperature, duration, and nanorod length, on the photocatalytic performance was systematically examined. Comprehensive analysis using X-ray diffraction, scanning electron microscopy, and photocurrent density–potential curves identified optimal vulcanization conditions at 300 °C for 45 min for 170 nm ZnSe nanorods. Under these conditions, the photocurrent reached 44.53 μA/cm², approximately 7-fold greater than that of untreated ZnSe nanorods. Furthermore, the degradation efficiency of Rhodamine B increased by 50%. Detailed analysis of the photocatalytic mechanism revealed that sulfurization not only enhances light absorption but also facilitates the separation of photogenerated carriers through the formation of ZnS.

In the past decades, iron has been one of the intensively studied biodegradable metals due to its suitable mechanical properties, but it suffers from slow degradation in a physiological environment and low bioactivity. In this work, the beneficial properties of ceramic and polymer coatings were merged to enhance the corrosion properties and biological compatibility of Fe-based biomaterials. A new bilayer coating for Fe-based biomaterials that speeds up degradation while offering controlled, localized drug release to prevent infections was prepared. In addition, bioactive coatings with an incorporated antibiotic (gentamicin, Ge) were produced to introduce antibacterial properties into the prepared biomaterials and thus increase their bioactivity. The calcium phosphate (CaP) coating layer as well as a bioactive coating layer of CaP doped with gentamicin was electrochemically deposited onto an iron substrate. A layer of poly(ethylene glycol) was subsequently applied to the selection of prepared specimens to create a bilayer ceramic/polymer coating. Electrochemical and immersion corrosion tests revealed that the application of a bilayer coating allowed achieving the desired acceleration of degradation, while the application of only a ceramic coating led to a reduction in the corrosion rate. A slight increase in the corrosion rate was observed for samples with bioactive drug-containing coatings compared to samples with drug-free coatings. Higher viability of human fibroblastic cells cultured in the extracts of the tested samples was noted for samples with a bilayer coating compared to a ceramic coating. The addition of gentamicin in the bioactive coatings had no significant effect on the viability value. Antibacterial tests proved the antibacterial activity of samples with a gentamicin-loaded coating layer against Escherichia coli and Staphylococcus aureus strains. A detailed study of the release of gentamicin from the prepared coatings revealed a different mechanism of drug release from the ceramic and the ceramic/polymer coating. Furthermore, it was found that the drug was released more slowly and uniformly from the bilayer coating. It is therefore possible to adjust the amount and duration of drug release from the bioactive coating by the thickness of the upper polymer layer. Incorporation of an antibiotic in a combined ceramic/polymer coating enabled the creation of a high-performance bioactive coating for Fe bone implants with the possibility to release a drug in the vicinity of the implant in a controlled manner to address the needs of the patient.

Herein, quasi-two-dimensional (Q-2D) (PEA)₂MA₄Pb₅I₁₆ (prepared by a two-step process) and hole transport layer of a solar cell were fabricated in a high relative humidity (25 ± 5%) environment. The PSC behavior of most Q-2D perovskites is worse than that of three-dimensional perovskites owing to the horizontal alignment of the innate characteristic organic plates on the substrate. Using hybrid immersion solvents (HISs), we have improved vertical alignment in an appropriate ratio to enhance the efficiency of charge transfer and the high coverage of the first priming layer (first step). The grazing incidence X-ray diffraction pattern of the optimized structures revealed a preferential orientation for the vertical alignment of (111), which improved the charge transfer in PSCs and micrometer-level grain size growth. The second step was processed in a high-humidity environment (50 ± 5%) (methylammonium iodide solution embedded), and Q-2D (PEA)₂MA₄Pb₅I₁₆ demonstrated distinct grain boundaries. The power conversion efficiency (PCE, 13.09%) of the champion device of the first priming layer prepared using the HIS system increased by >55% compared to the single-immersion solvent (8.3%). The PCE of the ion-modified ETL PSCs was 16.02% (CsF-3) and 14.58% (CsCl-3) and demonstrated 22 and 11% improvement, respectively. The ion-modified electron transport layer (ETL) was deposited in the air, which reduced the power consumption of preparing perovskite solar cells (PSCs). Finally, all Q-2D PSCs were stored in the air, and three PSCs (DMF/DMSO, CsF-3, and CsCl-3) using HIS exhibited long-term stability for 1 month maintaining 80–88% of PCE, demonstrating the importance of the HIS system to improve the first step of growth orientation, which enhances the stability and photovoltaic properties of PSCs.

Natural marañon nutshell extract was obtained by mechanical compression. The extract was combined with ethanol and a nonionic surfactant, and it was labeled as EES. The EES inhibitor effect on S135 carbon steel, exposed to a simulated marine-coastal environment (SME), was deduced by mass loss measurement, adsorption isotherm, electrochemical measurements, and surface analysis. The Langmuir adsorption isotherm suggested that a monolayer of the marañon extract was attached by physical–chemical interaction with the steel surface. The increase in the protective efficiency of the adsorbed EES inhibitor was ascribed to the gain of the surface coverage as a function of the inhibitor concentration. It was considered an antioxidant activity of the inhibitor, attributed mostly to the Fe-ion capture by anacardic acid and the posterior ion chelation. This fact was collaborated by the negative zeta potential of the marañon nutshell extract, added to the SME. Electrochemical impedance spectroscopy (EIS) diagrams revealed that the steel polarization resistance (R_p) increased as a function of the inhibitor concentration, while the thickness (d) of the Fe-oxide layer was reduced to ≈0.50 nm.

HCl-catalyzed C-glycosylation was described herein for the convenient preparation of N-heteroaryl C-glycosides and polyhydroxylated alkanes with diaryl groups using hetereoaryl amines and unprotected sugars as starting materials. The reaction temperature and the amounts of aryl amines and HCl had significant effects on reactions. The method provided a highly efficient and environmentally friendly route for constructing C-glycosides at low cost.

The preanalytical handling of plasma, how it is drawn, processed, and stored, influences its composition. Samples in biobanks often lack this information and, consequently, important information about their quality. Especially metabolite concentrations are affected by preanalytical handling, making conclusions from metabolomics studies particularly sensitive to misinterpretations. The perturbed metabolite profile, however, also offers an attractive choice for assessing the preanalytical history from the measured data. Here we show that it is possible using Orthogonal Projections to Latent Structures Discriminative Analysis to divide plasma NMR data into a multivariate “original sample space” suitable for further less biased metabolomics analysis and an orthogonal “preanalytical handling space” describing the changes occurring from preanalytical mishandling. Apart from confirming established preanalytical effects on metabolite levels, e.g., the consequent changes in glucose, lactate, ornithine, and pyruvate, the sample preparation protocol involved methanol precipitation which allowed the observation of reversible changes in short-chain fatty acid concentrations as a function of temperature.

Glycyrrhetin urea has emerged as a privileged scaffold with anti-inflammatory activity for the treatment and prevention of acute kidney injury (AKI). In this study, structural modifications of the A ring of glycyrrhetinic acid yielded a series of urea derivatives, among which compound 7o exhibited the most promising anti-inflammatory activity. 7o was confirmed to interact with STING through a cellular heat shift assay and to inhibit the STING/NF-κB pathway in RAW264.7 cells. It acted on the STING pathway, inhibited NF-κB phosphorylation, and subsequently reduced the level of release of inflammatory factors. Additionally, 7o significantly increased the survival rate of renal tubular epithelial cells, demonstrating a protective effect against cisplatin-induced cell death and mitigating inflammation activation. The in vivo AKI mouse model showed that 7o significantly downregulated serum creatinine (Scr), blood urea nitrogen (BUN), and levels of inflammatory factors (IL-1β, IL-6, and TNF-α), thereby improving renal function. Morphological analysis revealed that 7o attenuated the cisplatin-induced renal tubular injury. Therefore, 7o represents a promising lead for the prevention and treatment of AKI.

Organic semiconductors have been widely studied owing to their potential applications in various devices, such as field-effect transistors, light-emitting diodes, solar cells, and image sensors. However, they have a limitation of significantly lower carrier mobility compared to silicon, which is a widely used inorganic semiconductor. Therefore, to address such limitations, these molecules should be further explored. Hole reorganization energy has been known to influence carrier mobility; that is, lower energy results in higher mobility. This study uses Bayesian optimization (BO) to identify molecules with low hole reorganization energies. While several acquisition functions (AFs), including probability of improvement, expected improvement, and mutual information, have been proposed for use in BO, it is well established that the performance of AFs can vary depending on the data set. We evaluate the performance of AFs applied to a data set of organic semiconductor molecules and propose a novel approach that alternates the use of AFs in the BO process. Our findings conclude that alternating AFs in BO enhance the stability of the search for molecules with low reorganization energy.

Despite their wide usage in reducing tumors and improving patients’ survival, chemotherapeutic drugs or natural compounds are facing the development of cancer resistance. Many experimental data and clinical trials have shown that combinatorial treatment could be an efficient solution for some resistance problems. In this study, we aimed to evaluate the synergistic effects of combining prodigiosin (PG), a natural compound with known anticancer properties, with the commonly used chemotherapy drugs 5-fluorouracil (5-FU), oxaliplatin, and paclitaxel. The primary objective was to identify the most potent combination that could enhance tumor cytotoxicity while minimizing drug resistance. In vitro experiments using three cancer cell lines (LoVo, HCT-116, and A549) were conducted to assess the impact of these combinations on the cell viability and proliferation. Recorded data demonstrated that the combination of 20 μM PG with 1/2 IC50 of 5-FU showed the most significant decrease in cell viability, with remaining viabilities of 28, 32, and 43% for LoVo, HCT-116, and A549 cells, respectively. This combination resulted in a notable increase in the proportion of cells in the G0/G1 phase and a decrease in the S phase of the cell cycle. These findings indicated that this combination effectively induced cell-cycle arrest. In contrast, other combinations such as PG with paclitaxel or oxaliplatin were less effective. Furthermore, molecular docking studies revealed that PG targets Akt1, a key protein in the PI3K/Akt survival pathway, providing a possible explanation for its proapoptotic effects. These findings suggested that the combination of PG with 5-FU enhanced tumor cell sensitivity to chemotherapy, potentially offering a more effective treatment strategy for overcoming drug resistance. In conclusion, the current study highlighted the promising potential of PG in combination with 5-FU as a therapeutic approach for colorectal and lung cancers, warranting further investigations in preclinical and clinical settings.

Detection of nucleobases is of great significance in DNA sequencing, which is one of the main goals of the Human Genome Project. The synthesis of Hachimoji DNA, an artificial genetic system with eight nucleotide bases, has induced a transformative shift in genetic research and biosensing. Here, we present a systematic investigation of the adsorption behavior and electronic transport properties of natural and modified DNA bases on a Janus molybdenum sulfur hydride (MoSH) monolayer using density functional theory (DFT) and nonequilibrium Green’s function (NEGF) methods. Our results demonstrate that the S side of the MoSH monolayer is more effective as a sensing platform compared to the H side, which undergoes significant structural distortions due to chemisorption. The S side selectively distinguishes natural bases A and T from G and C, and modified bases S and Z from others. However, the negligible changes in current after base adsorption highlight the limitations of relying solely on current sensitivity for detection. Our findings provide valuable insights into the design of MoSH monolayer-based sensing platforms for selective DNA base detection, with potential applications in next-generation DNA sequencing technologies.

The delivery of active functional molecules across the skin is laborious due to its structural intricacy and exceptional barrier characteristics. Developments in nanotechnology yielded innovative transport vehicles derived from nanomaterials to reinforce the skin’s ability to interact with active ingredient molecules and increase its bioavailability. The current study employed crystalline inorganic two-dimensional double hydroxides (LDHs) as an efficient carrier and delivery vehicle for folic acid (FA) in a topical skincare formulation. FA was incorporated into the interlayer region of Mg/Al LDHs utilizing a coprecipitation procedure to produce a nanohybrid. The nanohybrid was characterized by XRD and FTIR. FA intercalation into the interlayer galleries of the nanohybrid was confirmed by an XRD diffractogram, which established a shift of the basal d₍₀₀₃₎ reflection of LDHs to lower 2θ angles. FTIR of the nanohybrids revealed the characteristic absorption frequencies of FA, indicating the existence of FA within the LDH matrix. The FA-intercalated nanohybrid showed antioxidant activity similar to that of free FA. A topical formulation was prepared by dispersing FA-intercalated LDH nanohybrid in an oil-in-water (o/w) emulsion, and it was used to evaluate its properties further. Rheological property evaluation showed that the presence of the nanohybrid resulted in better flow behavior and higher yield stress of the formulation, implying improved stability and quality. The nanohybrid also enhanced the storage modulus and, thus, the dynamic rigidity of the formulation. The test compounds expressed no cytotoxicity in HaCaT cells, as cell viability significantly increased in monolayer cultures after a 24-h incubation period. Release studies conducted in vitro using the nanohybrid showed a pH-dependent controlled release of FA. Transdermal permeation experiments using Franz diffusion cells demonstrated a direct correlation between the concentration of penetrated FA with time, which signified a gradual and effective transfer of FA from the LDH matrix into the oil/water emulsion, demonstrating its efficacy. Thus, the study revealed excellent prospects for the nanohybrid as a multifunctional active ingredient in topical applications.

A methodology for predicting proximate and ultimate analysis data was developed by using near-infrared spectroscopy (NIR) combined with chemometric methods. The quantitative model has high accuracy, as evidenced by low root-mean-square-error of prediction (RMSEP) values (e.g., 0.41% for volatile matter and 0.29% for carbon). The model was further applied to tobaccos with distinct aroma profiles, and the predicted ultimate and proximate data lead to aroma classification with 86.6% accuracy. This methodology can be expanded to the aroma discrimination of imported tobaccos from Brazil, the United States, Canada, and Zimbabwe, demonstrating its broad reliability. Compared with traditional analyses, this NIR-based approach offers a fast and accurate method for large-scale tobacco evaluation, highlighting its potential for enhancing tobacco quality characterization through a quantifiable, digital, and high-throughput process.

The application of an electric field to demulsification of oil-in-water (O/W) emulsions has received extensive attention. However, microcosmic information about the effect of surfactant type on the demulsification of an O/W emulsion under an electric field is still rare. In this work, the effects of cationic surfactant cetyltrimethylammonium bromide (CTAB) and anionic surfactant sodium dodecyl sulfate (SDS) on oil droplet demulsification in an emulsion under a pulsed-DC electric field were studied by molecular dynamics (MD) simulation. The MD simulation results show that oil droplets underwent directional movement under the action of an electric field. The larger the electric field strength, the shorter the time required for the oil droplets to coalesce. However, the movement direction of the oil droplets in the electric field was different depending on the type of surfactant. Compared to oil droplets containing SDS, oil droplets containing CTAB molecules exhibited faster deformation and easier migration coalescence under low electric field strength. It was mainly attributed to the fact that the deformation of oil droplets will be accelerated when oil droplets contain asphaltene molecules and surfactant molecules with different electronegativities under an electric field. During the demulsification of oil droplets containing CTAB molecules, CTAB molecules generated electrostatic attraction with asphaltene molecules in adjacent oil droplets, strengthened the interaction between oil droplets, and promoted the demulsification of oil droplets. In the process of oil droplet demulsification containing SDS molecules, the potential energy of the electrostatic interaction between oil droplets did not change, and the demulsification mainly depended on the van der Waals force between oil droplets.

Rechargeable aqueous zinc–ion batteries (ZIBs) are poised as a promising solution for large-scale energy storage and portable electronic applications. Their appeal lies in their affordability, abundant materials, high safety standards, acceptable energy density, and eco-friendliness. Vanadium-based compounds stand out as potential cathode materials due to their versatile phases and variable crystal structures, empowering design flexibility to affect the theoretical capacity. However, challenges, such as V dissolution and substantial capacity degradation, have hindered their widespread use. Recent breakthroughs in crafting innovative V-based materials for aqueous ZIBs, by preintercalating guest species, have significantly bolstered structural stability and facilitated faster charge migration, leading to enhanced capacity and stable cycling. This review delves into the latest advancements in vanadium-based cathodes with preintercalated guest species, examining their altered crystal structures and the mechanisms involved in Zn²⁺ ion storage. It also investigates how different guest materials within these cathodes impact the electrochemical capacity. Additionally, this assessment identifies key obstacles impeding progress and proposes potential solutions while also anticipating the future trajectory of aqueous ZIBs. These insights are invaluable to researchers and manufacturers alike, offering a roadmap for commercialization.

Partitioning and transmutation are important strategies for closing the nuclear fuel cycle. The diglycolamide extractant TODGA has played a major role in the development of solvent extraction processes for nuclear fuel reprocessing due to its good extraction performance, its hydrolytic and radiolytic stability, and its compliance with the CHON principle. However, due to drawbacks such as the tendency to form a third phase during extraction if no phase modifiers are used, continued research on diglycolamide-type extractants has led to the development of diglycolamides with decreased symmetry. In this study, it is shown that the recently developed diglycolamide, N,N-diisopropyl-N′,N′-didodecyldiglycolamide (iPDdDGA), is a potential alternative to TODGA with improved separation between Am and Cm or the Ln. Using the AmSel system as a reference, the extraction kinetics, influence of the acid concentration, influence of the iPDdDGA concentration, and influence of temperature were evaluated. Slope analysis indicates similar average stoichiometries for iPDdDGA and TODGA complexes, but the extraction efficiency of iPDdDGA is orders of magnitude higher. The feasibility of selective americium stripping in combination with the hydrophilic sulfonated bis-triazinyl bipyridine SO₃-Ph-BTBP complexant was demonstrated. Selective stripping of americium was found to be possible, and the use of iPDdDGA gave an unexpected improvement in Am/Cm separation, with SF_Cm/Am values of up to 3.0. This represents a small but significant improvement compared to the 2.5 value typically found for TODGA, and it demonstrates the potential of this solvent extraction system to improve existing processes based on diglycolamide-type extractants.

Metal halide perovskite nanowires are widely studied due to their unique electronic and optical characteristics, making them promising for light emitting and detection applications. We developed a ligand-free method to grow vertically aligned free-standing CsPbBr₃ nanowires from anodized aluminum oxide nanopore substrates. Here, we investigate the growth process using in situ microscopy with ultraviolet and visible light excitation, revealing a highly dynamic process with pronounced fluorescence at locations where high-density free-standing nanowires could be found. The yield of the growth is strongly improved by using a growth reactor with controlled N₂ flow, increasing from 17 to 60%. We systematically investigated the growth dependence on the temperature and N₂ flow rate and identified optimal parameters at 70 °C and 0.8 L/min, respectively. The improved control over the growth of free-standing nanowires expands opportunities for their integration into optoelectronic devices.

After many years of mining in the Fang2 block of the Songfangtun oilfield, the conventional water drive development method can no longer meet the requirement of greatly improving the recovery rate, and ternary composite drive (TCD) technology is adopted for this purpose. TCD is one of the most important methods to further improve crude oil recovery, and it has entered the industrialization and promotion stage, but there are still problems of fouling in the injection and extraction system and high production and maintenance costs. In order to reduce formation damage and improve recovery in the Songfangtun oilfield, an alkali-free microemulsion system was developed by replacing the weak base sodium carbonate with sodium chloride, but its emulsification capacity was weak and the recovery enhancement value was lower than that of the weak base TCD. In order to improve the emulsification performance of the alkali-free microemulsion and enhance the effect of oil repulsion, an alkali-free microemulsion oil-repellent system was developed on the basis of the alkali-free ternary system by using the compounding of surfactant, alcohol, and sodium chloride. Through indoor physical modeling experiments, it was concluded that the SDBS alkali-free microemulsion system had the best effect on improving crude oil rheology and viscosity reduction, and the lowest interfacial tension of 9.4 × 10^–4 mN/m in the solution system when the mass fraction was 4%, with the maximum recovery rate of 47.03%, and the decrease in water content of 9.3%. Through molecular dynamics simulation and microemulsion oil-repellent coefficient, it is concluded that the alkali-free SDBS microemulsion system can greatly reduce the interaction force between crude oil and rock, with the lowest peak value of radial distribution function of 4.21, and the oil-repellent coefficient of F_p of 5.85; CMG reservoir numerical simulation software is adopted to verify the chemical repellent numerical simulation of Fang2 block, which shows that the recovery degree of SDBS alkali-free microemulsion system is 24.8% higher than that of water repellent, with the cumulative increase of 213.6 thousand tons of oil. The developed alkali-free microemulsion system not only realizes the goal of ternary composite alkalinity-free but also achieves the purpose of greatly improving the recovery rate and reducing the cost and increasing efficiency. It has a broad application prospect and can also provide a technical reference for the efficient development of other old oilfields with land-phase sandstone.

Pickering emulsions stabilized by surfactant-modified SiO₂ nanoparticles demonstrate good stability against droplet coalescence, showing application potential for enhanced oil recovery in high-temperature and high-salinity environments. Adjusting the adsorption ratio of surfactant on the nanoparticles significantly affects the wettability of nanoparticles and therefore regulates the microstructure and properties of Pickering emulsions. In this study, a saturated monolayer adsorption occurs at a surfactant-to-nanoparticles ratio of 0.1:1.0%, where an optimal hydrophilic–hydrophobic balance is achieved. However, below or above this ratio, the SiO₂ nanoparticles become more hydrophilic with the decreasing or increasing surfactant concentration. Pickering emulsions stabilized by the intermediate wet nanoparticles exhibit the best stability and highest viscosity. Laser confocal scanning microscopy and cryo-scanning electron microscopy reveal that the SiO₂ nanoparticles can form a bridge-structure network among the droplets of these emulsions. Microfluidic experiments and sand pack experiments show that Pickering emulsions provide greater permeation resistance than conventional emulsions stabilized solely by surfactant solely. In addition, microscopic experiments show that Pickering emulsions enhance oil recovery by 20% after second waterflooding, compared to a 12% recovery rate with conventional emulsions. It is found that the Pickering emulsions with bridge-structures may be accumulated in and plug channels much larger than their droplets, which results in higher properties of conformance control.

A significant issue encountered in smelting operations is the corrosion of refractory materials that come into direct contact with the molten slag. Magnesia-based refractories are commonly used in nonferrous smelting operations. On the other hand, alumina-based refractories emerge as a possible alternative, particularly when dealing with the unpredictable slag compositions, owing to alumina’s amphoteric characteristic. Nevertheless, prolonged interaction with aggressive slag can lead to substantial degradation of the refractory material. The research on the use of alumina-based refractories in tin smelting is not well known. Hence, this paper focuses on slag–refractory interaction in the tin smelting process at Al₂O₃ saturation. A series of thermodynamic simulations and laboratory-scale experiments were conducted. The software FactSage 8.2 was employed to simulate the solubility of Al₂O₃ in slag and the ratio of Sn content in slag to Sn content in metal under the conditions relevant to tin concentrate smelting and tin slag reduction stages. The experiments utilized synthetic slag composed of SnO-FeO_x-CaO-SiO₂-Al₂O₃, conducted in a vertical tube furnace at a temperature of 1300 °C for 2 h. The experimental parameters that were varied were the Fe/SiO₂ ratio in slag (0.3–1.6), CaO/SiO₂ ratio in slag (0.3–1.6), and Sn content in slag (3–20%). The simulation results revealed that the solubility of Al₂O₃ during the tin concentrate smelting and tin slag reduction stages was significantly influenced by temperature, Fe/SiO₂, and CaO/SiO₂, whereas the ratio of the Sn content in slag to the Sn content in the metal appeared to be independent of these variables, being primarily influenced by the oxidation condition. Experimental results at 1300 °C showed that varying Fe/SiO₂ within the range of 0.3–1.6 led to an initial increase in Al₂O₃ solubility in slag at lower Fe/SiO₂ ratios, followed by a decrease in Al₂O₃ solubility in slag at higher Fe/SiO₂ ratios. A similar trend was observed with variations in CaO/SiO₂ within the same range, accompanied by the formation of new solid phases, such as hercynite spinel at lower CaO/SiO₂ ratios and melilite at higher CaO/SiO₂ ratios. Moreover, under constant CaO/SiO₂ and Fe/SiO₂ ratios of 0.3, reducing the Sn content in the slag was found to increase the solubility of Al₂O₃ due to the creation of a more aggressive slag toward Al₂O₃ solid.

This study describes the synthesis of new carboxylated merocyanine dyes by Knoevenagel condensation between 4-carboxybenzaldehyde and indolium/benzoindolium- and benzothiazolium-based coupling compounds. The condensations were performed in the presence of ammonium acetate, and the products were obtained in good yields after simple purification. These merocyanines exhibit UV-A-to-blue absorption and blue-to-green fluorescence emission, characterized by relatively large Stokes shift values (∼5000 cm^–1). In addition, quantum chemical calculations were conducted to better explore the electronic and photophysical properties of the merocyanines under study. Thermal analysis via thermogravimetric analysis (TGA) revealed distinct decomposition stages for the merocyanines, with stability up to 200 °C. Cyclic voltammetry revealed irreversible waves for donor oxidation and acceptor reduction. On the basis of the onset potentials, the highest occupied molecular orbital (HOMO) energies were estimated to be between −5.38 and −5.47 eV, and the lowest unoccupied molecular orbital (LUMO) energies were calculated to range from −3.20 to −3.24 eV. These values suggest a narrow electrochemical band gap of 2.07 to 2.13 eV. Finally, fluorescence quenching experiments using the intrinsic fluorescence of the Trp residues in BSA were successfully applied to these compounds, indicating strong interactions with this protein via a static mechanism. The docking simulations corroborated the interaction between the merocyanines and BSA.

Bi₂S₃ holds immense potential to be promoted as an anode material for lithium-ion batteries (LIBs), owing to the high theoretical gravimetric and volumetric capacities. However, the poor electrical conductivity and volume expansion during cycling hinder the practical applications of Bi₂S₃. Therefore, through subsequent heat treatment, the nitrogen-doped carbon film was successfully loaded on the nanosphere Bi₂S₃, which we call nitrogen-rich carbon layer-coated Bi₂S₃ (NC@Bi₂S₃). Hence, the nanosphere Bi₂S₃ uniformly covered by a nitrogen-rich carbon layer was successfully coated on the Bi₂S₃ surface (NC@Bi₂S₃) through post-treatment. Due to the effective interaction between glutathione and inorganic materials, dopamine hydrochloride molecules are introduced and polymerized on the surface of the spherical Bi₂S₃ structure and then converted into a nitrogen-rich carbon layer with an average thickness of 10.0 nm. The electrochemical tests reveal that the discharge specific capacities of Bi₂S₃ and NC@Bi₂S₃ reach 340.99 and 645.13 mAh/g after 300 cycles at 100 mA/g, respectively. Kinetic analysis shows that the contribution of pseudocapacitance behavior increases by about 10% after the nitrogen-rich carbon layer is coated. These results suggest the potential of NC@Bi₂S₃ as a high-performance anode material for LIBs; the stability can be enhanced by core–shell structures.

We report on the synthesis of lead(II) carbonate-containing nanoparticles using the polyol process under high-energy ultrasound or microwave irradiation as alternate energization methods. Five carbonate source precursors are used in the reaction, and the precipitation reactions generate four different crystal products, depending on the precursor. More alkaline precursors produce the hydroxy-carbonate structures (abellaite, or its potassium analog, and hydrocerussite), while the less alkaline precursors produce the simple carbonate structure (cerussite). Ultrasonication or microwave irradiation during the arrested precipitation ensures the formation of nanoparticles <100 nm in diameter in a mostly single crystalline phase in all cases, bar one. The products were characterized by powder X-ray diffraction, dynamic light scattering, electron microscopy, infrared spectroscopy, and thermal analysis. These nanoparticles are targeted as X-ray contrast agents for biological imaging, particularly of fine vasculature where small particle size is essential.

Two types of bismuth films (micro-Bi and nano-Bi) were prepared, and their electrocatalytic behavior was studied in terms of reduction current and product selectivity in a potential range of −0.776 to −1.376 V vs RHE. CO₂ and H₂O molecules competed with each other for reduction on the surfaces of both types of films, and formate and H₂ were the respective major products of reductive reactions. Under the same conditions, nano-Bi exhibited lower selectivity for formate and higher selectivity for H₂ compared to the respective micro-Bi cases with bismuth films of similar thickness. This can be attributed to the higher hydrophilicity of bismuth film surfaces of nano-Bi due to surface nanoscale roughness and lower surface-carbon content compared with those of micro-Bi. Our results suggest a new strategy for controlling the selectivity of electrocatalytic CO₂ reduction under aqueous electrolytes through the use of surface engineering.

In this study, comprehensive density functional theory calculations were conducted to investigate the molecular mechanism of electrocatalytic proton reduction using group 9 transition metal bpaqH (2-(bis(pyridin-2-ylmethyl)amino)-N-(quinolin-8-yl)acetamide) complexes. The goal was to explore how variations in the structural and electronic properties among the three metal centers might impact the catalytic activity. All three metal complexes were observed to share a similar mechanism, primarily characterized by three key steps: heterolytic cleavage of H₂ (HEP), reduction protonation (RPP), and ligand-centered protonation (LCP). Among these steps, the heterolytic cleavage of H₂ (HEP) displayed the highest activation barrier for cobalt, rhodium, and iridium catalysts compared to those of the RPP and LCP pathways. In the RPP pathway, hydrogen evolution occurred from the M^II–H intermediate using acetic acid as a proton donor at the open site. Conversely, in the LCP pathway, H–H bond formation took place between the hydride and the protonated bpaqH ligand, while the open site acted as the spectator. The enhanced activity of the cobalt complex stemmed from its robust σ-bond donation and higher hydride donor ability within the metal hydride species. Additionally, the cobalt complex demonstrated a necessary negative potential in the first (M^III/II) and second (M^II/I) reduction steps in both pathways. Notably, M^III/II–H exhibited a more crucial negative potential for the cobalt complex compared to those of the other two metal complexes. Through an examination of kinetics and thermodynamics in the RPP and LCP processes, it was established that cobalt and rhodium catalysts outperformed the iridium ligand scaffold in producing molecular hydrogen after substituting cobalt metal with rhodium and iridium centers. These findings distinctly highlight the lower-energy activation barrier associated with LCP compared to alternative pathways. Moreover, they offer insights into the potential energy landscape governing hydrogen evolution reactions involving group 9 transition metal-based molecular electrocatalysts.

The Triassic Montney Formation hosts major oil and gas resources in Western Canada. Despite significant historical development of these resources, the origin of its hydrocarbons remains unclear, partly due to limited evidence of primary organic matter within the formation. Most of the hydrocarbons in the Triassic Montney Formation are trapped in low-permeability siltstone facies. For the purposes of this study, however, we investigated the lesser-known and understudied organic- and clay-rich mudstone beds, typically ranging from 2 to 8 cm in thickness, which are interbedded with the siltstone reservoir facies. Petrographic and organic geochemical analyses were conducted on core samples from a well located in west-central Alberta with thermal maturity of 0.95–1.16%Ro. Petrographic analysis, including kerogen maceral composition and fluorescence of petroleum fluid inclusions, reveals that the organic matter in the Montney Formation is closely linked to its host lithology. Organic-rich mudstone facies, with TOC values up to 3.5 wt %, contain primary kerogen (32–74 vol %) and solid bitumen (29–68 vol %). In contrast, the more organic-lean siltstone facies (TOC < 0.8 wt %) contain primarily pore-filling solid bitumen and lack structured kerogen. Kerogen within the organic-rich mudstone facies is mainly composed of liptinite macerals, including amorphinite, liptodetrinite, and alginite, subordinate amounts of acritarch and sporinite, and traces of inertinite and vitrinite macerals. The primary organic matter in the mudstone facies is presumed to be derived from marine sources (i.e., phytoplanktonic algae and bacterial biomass). Its preservation may result from the balance between periodic high productivity (potentially driven by river floods), rapid sedimentation to bury and preserve organic matter, and low dilution by siliciclastic material. Organic petrology analysis suggests an in situ generation of hydrocarbons in the mudstone beds and a potential subsequent short-distance migration to adjacent siltstone beds. Biomarker analysis supports the genetic linkage between rock extracts from these beds. Additionally, three families of petroleum fluid inclusions were systematically observed (using fluorescence microscopy) in several sets of contiguous siltstone and mudstone beds. These findings suggest that the organic-rich mudstone facies partially contributed to the present-day hydrocarbons of the Middle Montney Member in the study area.

An Isoindolinedione-benzamide pyridinium derivatives were designed through a structure-based strategy and synthesized as novel multifunctional anti-Alzheimer agents. The inhibitory activities of all 17 derivatives against acetylcholinesterase and butyrylcholinesterase were evaluated. Results exhibited that compound 7j displayed promising AChE inhibitory activity with an IC₅₀ value of 0.26 ± 0.07 μM, and compound 7c exhibited an IC₅₀ value of 0.08 ± 0.01 μM against BChE with 132-fold better inhibitory activity in comparison with positive control. Next, the enzyme kinetics studies and detailed binding mode via molecular docking were performed for the most potent compounds. Additionally, molecular dynamics simulations were accomplished to further investigate the potent compound’s interaction, orientation, and conformation over the related enzymes. The neurotoxicity of the most potent derivative was executed against SH-SY5Y, and the mRNA levels of GSK-3α and GSK-3β after treatment with 7c on SH-SY5Y were evaluated. Results exhibited the mRNA levels of GSK-3β were decreased compared to the control group. All these results indicate that 7c is a good starting point for developing a multifunctional anti-Alzheimer compound.

In recent years, there has been a notable shift toward exploring plant and animal extracts for the fabrication of tissue engineering structures that seamlessly integrate with the human body, providing both biological compatibility and physical reinforcement. In this particular investigation, we synthesized bilayer wound dressings by incorporating snail (Helix aspersa) secretions, comprising mucus and slime, into chitosan matrices via lyophilization and electrospinning methodologies. A nanofiber layer was integrated on top of the porous structure to mimic the epidermal layer for keratinocyte activity as well as acting as an antibacterial barrier against possible infection, whereas a porous structure was designed to mimic the dermal microenvironment for fibroblast activity. Comprehensive assessments encompassing physical characterization, antimicrobial efficacy, in vitro bioactivity, and wound healing potential were conducted on these bilayer dressings. Our findings revealed that the mucus and slime extract loading significantly altered the morphology in terms of nanofiber diameter and average pore size. Snail extracts loaded on a nanofiber layer of bilayer dressings showed slight antimicrobial activity against Staphylococcus epidermidis and Escherichia coli. An in vitro release study of slime extract loaded in the nanofiber layer indicated that both groups 1 and 2 showed a burst release up to 6 h, and a sustained release was observed up to 96 h for group 1, whereas slime extract release from group 2 continued up to 72 h. In vitro bioactivity assays unveiled the favorable impact of mucus and slime extracts on NIH/3T3 fibroblast and HS2 keratinocyte cell attachment, proliferation, and glycosaminoglycan synthesis. Furthermore, our investigations utilizing the in vitro scratch assay showcased the proliferative and migratory effects of mucus and slime extracts on skin cells. Collectively, our results underscore the promising prospects of bioactive snail secretion-loaded chitosan constructs for facilitating skin regeneration and advancing wound healing therapies.

Sustainable poly(lactic acid) (PLA)/poly(propylene carbonate) (PPC) blends were compatibilized by the environmentally friendly epoxidized soybean oil (ESO) through the chemical reaction of epoxy functional groups on ESO with the terminated carboxyl and hydroxyl groups of PLA/PPC. The compatibilization effect of ESO was confirmed by Fourier transform infrared spectroscopy, rheological property testing, differential scanning calorimetry, and morphological observations. It was revealed that the molecular chain entanglement between PLA and PPC was significantly enhanced and the dispersed PPC phase size was decreased, which endowed the blend with high viscosity modulus, low tan δ, and great stretchability, especially for the blend containing 1.0 wt % ESO. The compatibilization effect dramatically reinforced the toughening modification of PPC on PLA, resulting in a great ductility with a fracture strain up to 187.3%, more than 20 times that of the pristine PLA, while maintaining a high strength of 44.5 MPa. Compared to the neat PLA and the PLA/PPC blend, the compatibilized blend showed a much larger draw ratio of up to 6.5 × 6.5 during biaxial stretching, producing a uniform film with balanced mechanical properties, high optical transparency, and good oxygen barrier performance. This work will be of vital importance for guiding the preparation of PLA-based films with superior comprehensive properties.

Paper mills inevitably produce various pollutants, including chlorolignin, chlorophenols, chloroguaiacol, furan, cyanide, and heavy metals. These pollutants cause significant threats to aquatic and terrestrial life. The pulp and paper industries are looking for eco-friendly solutions for the disposal of effluents during paper processing. Moreover, environmental management practices are a key concern that may be addressed by removing these effluents using suitable bioremediation techniques. Therefore, we have discussed several eco-friendly nanotechnology based sustainable bioremediation technologies like the use of nanoparticles, nanomaterials, nanocomposites, nanoadsorbents, and several advanced methods such as electrocoagulation and photocatalysis, which may be utilized for the elimination of hazardous pollutants from paper industry effluents. This review finally includes critical insight into the potential use of the above-mentioned nanotechnology based interventions for mitigation of contaminants from the paper industry. Nevertheless, there are a few limitations and challenges toward implementation of such technologies, which are also discussed in this review.

In this study, reproducible label-free detection and quantification of the antiretroviral drug emtricitabine (FTC) down to 78 ng/mL in human plasma by surface enhanced Raman spectroscopy (SERS) is presented. A novel plasma sample pretreatment method using silver nitrate and silver colloidal nanoparticles (Ag CNPs) was used to prepare the plasma samples for analysis. The pretreated plasma samples were evaporated to dryness on an aluminum surface and a computer-controlled Raman scanning system was used to collect spatially resolved SERS spectra of the entire surface. Calibration curves of commercial human plasma samples containing FTC in a concentration range of 5000 to 78 ng/mL were calculated using three different methods. First, a conventional approach was taken, where all the spectra collected for each concentration were averaged, then the SERS intensity of a known FTC peak (792 cm^–1) was used for calibrations (total population method). This approach was refined by utilizing a figure-of-merit (FOM) quality index (Q_i) to sample spectra from each concentration that contained the highest signal-to-noise (S/N), before averaging and calculating the SERS intensity of the 792 cm^–1 FTC peak (Q_i sample method). Finally, the distribution of all Q_i values for each concentration were modeled using cumulative distribution functions (CDFs) and were used for calibrations (CDF method). The CDF method exhibited the highest analytical sensitivity (slope = 3702.47) compared to the Q_i sample method (slope = 1591.05) and the total population method (slope = 754.21). The Q_i sample method exhibited the highest linearity (R² = 0.99) compared to the CDF method (R² = 0.95) and the total population average (R² = 0.97). The CDF method exhibited the highest S/N in the concentration range of 5000 to 312 ng/mL (S/N range of 31.5–16.6). The Q_i sample method exhibited the highest S/N for concentrations 156 and 78 ng/mL (S/N = 9.7 and 7.4, respectively). These results show that the Q_i sample method is advantageous over all other methods when approaching the LOQ while the CDF method is advantageous over all methods at higher concentrations. The LOQ (78 ng/mL) was confirmed by principal component analysis (PCA). Together these results show that statistical treatment of a large population of SERS spectra, where the analyte signal intensity follows an exponential distribution, is superior to standard methods of averaging populations of spectra in terms of analytical sensitivity, linearity, and S/N. Additionally, it was found that the background signal had no interference with the quantitative data calculated for the total population and Q_i sample methods after repeating both analyses with baseline-subtracted spectra. The results and methodology presented in this study establish a framework for integrating SERS into drug adherence monitoring for FTC-based treatment and prevention of infections by demonstrating consistent SERS detection and quantification of FTC in human plasma at therapeutically relevant concentrations.

The resistance of the Figaro Taguchi Gas Sensor (TGS) decreases when exposed to reducing gas enhancements. TGS gas response can be characterized by comparing measured resistance to a reference resistance, representative of sampling in identical environmental conditions but with no reducing gas enhancement. Thus, this resistance ratio (RR) allows for characterization of reducing gas response, independent of other environmental effects. This work presents controlled laboratory experiments, measurements, and modeling for an analysis on the effect of reducing gas cross-sensitivities on RR. The methane mole fraction ([CH₄]) was raised to approximately 9 ppm from a 0.492 ppm reference level, and carbon monoxide mole fraction ([CO]) was raised to approximately 4 ppm from a 0 ppm reference level, through multiple simultaneous steps. The independent effect of each gas on RR was directly multiplied, resulting in an inferior RR compared with measurements, implying an interdependence effect. For example, for one TGS unit, when deriving [CH₄] from RR, a 6 ppm [CH₄] measurement would be underestimated by 6% at 1 ppm [CO], but only by 1.6% at 0.1 ppm [CO]. A key implication of residual interdependence effects is that any gas characterization must be conducted with the same reference levels of each other reducing gas expected during field deployment, even if measuring a single gas. A first-order interdependence correction is proposed to account for such interdependence effects. Yet, each TGS behaves differently, and interdependence testing takes time. Therefore, the TGS best serves to detect single reducing gases, assuming all other reducing gases to remain constant at their reference levels.

An environmentally friendly flame retardant coating for polyurethane composed of ammonium polyphosphate(APP)/montmorillonite(MMT)/(3-aminopropyl)triethoxysilane(APTES) has been prepared by deposition on a polyurethane surface through a one-step immersion, enhancing its flame retardancy. The coating of APP/MMT/APTES on the polyurethane sample surface has been verified from XPS and FTIR analysis. In comparison to untreated polyurethane, the amount of char residue after combustion of the flame-retardant polyurethane increases significantly, with a 50.8% increase in limiting oxygen index (LOI). The cone calorimetry test shows that the peak heat release rate (PHRR) and total smoke production (TSP) decreased by 80.28% and 66.7%, respectively. The formation of a dense carbon layer on the polyurethane surface restricts heat feedback from the combustion zone and reduces emission of volatiles. The preparation of polyurethane flame retardant coatings is carried out in an aqueous solution; the process is environmentally friendly and an attractive technology for polymer flame retarding.

In tissue engineering, developing suitable printing inks for fabricating hydrogel scaffolds via 3D printing is of high importance and requires extensive investigation. Currently, gelatin methacryloyl (GelMA)-based inks have been widely used for the construction of 3D-printed hydrogel scaffolds and cell-scaffold constructs for human tissue regeneration. However, many studies have shown that GelMA inks at low polymer concentrations had poor printability, and printed structures exhibited inadequate fidelity. In the current study, new viscoelastic inks composed of gelatin methacryloyl (GelMA), sodium alginate (Alg), and cellulose nanocrystal (CNC) were formulated and investigated, with CNC being used to improve the printability of inks and the fidelity of printed hydrogel structures and Alg being used to form ionically cross-linking polymer networks to enhance the mechanical strength of printed hydrogel structures. Rheological results showed that GelMA/Alg/CNC inks with different Alg-to-CNC ratios possessed good shear-thinning behavior, indicating that GelMA/Alg/CNC inks were suitable for 3D printing. The quantitative evaluation of printability and fidelity showed that a high concentration of CNC improved the printability of GelMA/Alg/CNC inks and concurrently promoted the fidelity of printed GelMA/Alg/CNC hydrogels. On the other hand, compression tests showed that a high concentration of Alg could enhance the mechanical strength of GelMA/Alg/CNC hydrogels due to the increase in cross-link density. Furthermore, GelMA/Alg/CNC hydrogels exhibited good biocompatibility and could promote the proliferation of human dental pulp stem cells (hDPSCs), suggesting their great potential in dental tissue engineering.

Zinc (Zn) biofortification in food plants presents a good strategy to address inadequate Zn intake by humans, a major health concern. Unconventional food plants (UFPs), known for their rich nutritional profile, offer an accessible and nutritious alternative to the food system. This study evaluated the response of selected UFP species to Zn application. An experiment with a completely randomized design was conducted using a 5 × 3 × 2 factorial scheme with four replicates. Five UFP species: Lactuca cf. canadensis L (Lc), Pereskia aculeata (Pa), Rumex acetosa (Ra), Stachys byzantina (Sb), and Tropaeolum majus (Tm) were tested with three Zn doses (0, 2, and 10 kg ha^–1) and two application methods (soil and foliar). The parameters evaluated included leaf number, chlorophyll content, fresh and dry mass, moisture, and mineral content. Foliar application proved to be the more efficient method, with Ra and Sb showing the greatest Zn accumulation. Kohonen’s self-organizing maps efficiently explored correlations and groupings, revealing that Zn application influenced these attributes. Biofortified leaves of UFPs show strong potential in mitigating Zn nutritional deficiencies.

This study reports the demulsification activity of a newly developed nonionic demulsifier (NID) via the condensation of glycolic acid ethoxylate lauryl ether with amine. The demulsification performance of the developed NID was assessed under room and moderate temperatures (25 and 60 °C), while the concentrations of NID were varied from 100 to 700 ppm at both temperatures in order to observe their oil–water separation efficiency. The demulsification mechanism was expatiated by determining the viscosity and elastic modulus of emulsion in the presence and absence of the NID. Adsorption at the oil and water interface was analyzed through a series of interfacial tension measurements. Accordingly, under the aforementioned temperatures, the optimal demulsification efficiency of the NID was 95% (25 °C) and 99% (60 °C) at 500 ppm. Viscosity determination at both temperatures revealed a drastic reduction in emulsion viscosity in the presence of NID, and the viscosity drop was of high magnitude at moderate temperatures (60 °C). Likewise, the elastic modulus measurements in bulk rheology revealed that the presence of NID in the emulsion weakened the elastic strength. Again, the interfacial modulus test exhibited the percolation of NID at the oil–water interface and the displacement of asphaltenes. Interfacial tension (IFT) measurements of the oil–water system at different NID concentrations showed that the particles were adsorbed at the oil–water interface. The IFT values of the oil–water system in the presence of NID ranged from 1.84 to 3.02 mN/m as compared to that of the NID-free oil–water system recorded as 16.11 mN/m. It is envisaged that this new nonionic demulsifier would be very useful in oilfields and petrochemical industries.

Mayaro virus (MAYV) is an emerging mosquito-borne viral pathogen whose infection results in arthritogenic disease. Despite ongoing research efforts, MAYV biology is largely unknown. Physical virology can assess MAYV nanoparticle metastability, assembly/disassembly, and polymorphism, allowing us to understand virion architecture and dynamics. Here, we employ atomic force microscopy (AFM) and surface enhancement Raman spectroscopy (SERS) to assess MAYV nanomechanical properties, including maps of adhesion force and Young’s modulus on individual viral particles. We established topographic maps of MAYV in two and three dimensions, revealing the three-dimensional arrangement and distribution of charges on viral spikes at the virus surface. Furthermore, the organization of the densely packaged RNA, which affords the viral particle exceptional mechanical resistance compared to chikungunya (CHIKV), was observed using MAYV adsorption patterns. The vibrational signature of MAYV particles differs from CHIKV, with more intense protein modes matching the distribution of E1/E2 dimers and the nucleocapsid, which are well structured and suggestive of mechanical strength.

Schizophrenia (SCZ) is a multifactorial mental illness with limited knowledge concerning pathogenesis, contributing to the lack of effective therapies. More recently, the use of a nitric oxide donor named sodium nitroprusside (sNP) was suggested as a potential therapeutic drug for the treatment of SCZ. Despite the mixed results regarding the effectiveness of the sNP in reducing SCZ symptoms, successful trials on sNP in treatment-resistant SCZ were published. We have also demonstrated the power of evaluating the lipidic profiles of human clinical and animal model samples to identify the biomarkers of the pharmacological response to the diagnosis of mental disorders. Aim of this work is to evaluate the sNP effects in an animal model for SCZ studies through lipidomic profiles assessed by magnetic resonance spectroscopy (NMR). Lipidic profiling of serum from these animals indicated a more pronounced effect of sNP on lipids in the 0.50–6.00 ppm spectral region. Chemometric analysis also indicated an approximation of the lipidic profiling of SCZ animal model rats treated with sNP compared to that of the control group. In addition, we have compared the sNP treatment with other antipsychotics classically used in the clinic, such as haloperidol and clozapine, and the sNP treatment evaluated herein confirms the potential of sNP for the treatment of SCZ.

To immobilize the activity and bioavailability of soil Cd, the single treatment only flooding (F) and the combined treatments with flooding plus bauxite residue (F-B) or lime (F-L) were designed to investigate the impacts of different treatments on the toxicity and bioavailability of Cd in contaminated soil. Compared with the single treatment (F), the combined treatments (F-B and F-L) improved soil-associated organic functional groups and aggregated stability in soil. The average particle sizes of soil aggregates increased from 126 nm (F-treated soil) to 256 and 270 nm following F-B and F-L treatments, respectively. Relative to F treatment, the combined treatments (F-B and F-L) increased soil pH, soil EC, and residual Cd content in soil and reduced exchangeable Cd and acid-soluble Cd content in soil. The exchangeable Cd contents in soils were decreased to 3.17 and 3.42 mg/kg following F-B and F-L treatments in comparison with F-treated soils (4.31 mg/kg), respectively. For the soils with F-B and F-L treatments, soil residual Cd contents increased from 54% (F treatment) to 57 and 56%, respectively, and soil acid-soluble Cd contents decreased from 46% (F treatment) to 37 and 43%, respectively. A negative correlation was found in soil pH versus soil exchangeable Cd and soil acid-soluble Cd. In addition, the F-B treatment exhibited superiority in suppressing toxicity and bioavailability of soil Cd, owing to that F-B treatment is easy to induce neutralization reaction and immobilization effect in contaminated soil. The findings offer evidences that F-B treatment is a facile approach to suppress toxicity and bioavailability of soil Cd, which shows potential for immobilization of Cd in soil.

Influenza A and B viruses spread out worldwide, causing several global concerns. Discovering neuraminidase inhibitors to prevent influenza A and B viruses is thus of great interest. In this work, a machine learning model was trained and tested to evaluate the ligand-binding affinity to neuraminidase. The model was then used to predict the binding affinity of compounds from the CHEMBL database, which is a manually curated database of bioactive molecules with drug-like properties. The physical insights into the binding process of ligands to neuraminidase were clarified via molecular docking and molecular dynamics simulations. Experimental investigation on enzymatic activity validated our computational results and suggested that 2 compounds were potential inhibitors of neuraminidase of the influenza A and B viruses.

The connection between a structured environment and the decay kinetics of an embedded emitter is explored by copolymerizing a naphthalimide derivative within polystyrene-based nanoparticles. The nanoparticles spontaneously self-assemble into a crystalline colloidal array, resulting in a partial photonic bandgap, or rejection wavelength, in the visible regime. The rejection wavelength of the liquid ordered array can be shifted across the emission spectrum of the nanoparticles by dilution with deionized water, which increases the interparticle spacing of the array. Time-resolved fluorescence of the ordered array at various rejection wavelength conditions is monitored at high- and low-energy electronic transition frequencies across the emission spectrum of the naphthalimide-copolymerized nanoparticles. Careful attention is given to the reference systems that are used to quantify photonic effects, the wavelengths at which decay kinetics are monitored, and the quantum yield of the naphthalimide-derived emitter. Increased and decreased excited-state lifetimes are observed, depending on the position of the rejection wavelength in relation to the emission of the emitter and the monitored wavelength, revealing critical insights in the context of quantum light-matter interactions and opportunities for strategic control over emitter decay pathways.

A cutting-edge method that uses electromagnetic (EM) energy for the melt processing of thermoplastic polymer nanocomposites (TPNCs) is reported. The properties and microstructures of TPNCs produced via the proposed EM-processing method and TPNCs via conventional heat processing are contrasted. The EM-processed TPNCs prepared with EM-susceptible carbon nanotubes (CNTs) exhibited a significant enhancement in transport and mechanical properties, outperforming the conventionally processed TPNCs. Thus, the EM-processed TPNCs demonstrated an ultralow electrical percolation threshold (∼0.09 vol %) and a remarkable increase in volume electrical conductivity of 8 orders of magnitude (i.e., 1.1 × 10^–5 S/m) at only 1.0 wt % CNT loading, compared to their hot-pressed counterparts. This highlights the superior network formation, level of segregation, and structuring enabled by EM processing. Differential scanning calorimetry (DSC) and X-ray diffraction (XRD) revealed that EM-processed TPNCs exhibited higher crystallinity (∼9% higher) and a predominantly α crystal phase compared to the hot-pressed TPNCs. Microstructural inspection by electron microscopy disclosed that EM processing led to segregated but interconnected multiscale networks of a thin and well-defined CNT interphase that encompassed from the nanoscale of the CNTs to the macroscopic scale of TPNCs. In contrast, conventional processing developed a more diffused CNT interphase with less interconnectivity. The EM-processed TPNCs developed a statistically higher stiffness (+20%) and in certain cases, even better strength (+10%) than the hot-pressed TPNCs. However, the EM-processed TPNCs displayed significantly lower ductility, owing to their higher crystallinity, more brittle crystal α phase, and the potential formation of microvoids in the bulk of the TPNCs inherent to the unoptimized EM processing. This work provides an understanding of an alternative and unconventional processing method capable of achieving higher structuring in nanocomposites with advanced multifunctional properties.

Due to the increasing pressure of environmental protection and the depletion of oil resources, Eucommia ulmoides gum (EUG) as a natural renewable and degradable biopolymer has attracted more and more attention. In this work, multilayer carbon nanotube film (CNF)/EUG composite films were fabricated through the infiltration and hot-pressing process. By taking advantage of the elasticity of EUG and the specific strength of CNF, composite films exhibited much more improved mechanical strength (maximum tensile stress up to 108.4 MPa) compared with pristine EUG and CNF alone. In addition, composite films prepared with five CNF layers and five infiltration cycles of EUG solution with a thickness of 181 μm can achieve the highest total shielding effectiveness value of 88 dB in 15.6 GHz. Moreover, the folded composite film can recover quickly to the fixed permanent shape when exposed to infrared light, demonstrating fascinating infrared-triggered shape memory behavior. This work provides a facile and general method to fabricate CNF/EUG composite films and is beneficial for pushing forward the practical application of EUG materials.

Oxidative stress and inflammation are key pathological features of atherosclerotic plaques. Numerous nanomedicines have been developed to alleviate oxidative stress and reduce inflammation within plaques. However, nonbioactive carrier materials reduce the bioavailability of nanomedicines and may pose potential biological toxicity. In this study, we utilized the unique amphiphilic chemical structure of lipoic acid (LA) to prepare LA nanoparticles (LA NPs) via a self-assembly method. Leveraging the inherent anti-inflammatory and antioxidant properties of LA, these NPs were used for the treatment of atherosclerosis. In an inflammatory macrophage model, LA NPs exhibited superior anti-inflammatory activity compared to free LA. Through ultrasound imaging and pathological methods, we discovered that LA NPs demonstrated nice antiatherosclerotic effects in an atherosclerotic mice model. Immunofluorescence analysis further indicated that the antiatherosclerotic effects of LA were associated with the alleviation of oxidative stress within the plaques, reduced macrophage infiltration, and downregulation of inflammatory cytokine levels. Therefore, LA NPs offer a promising therapeutic strategy for the treatment of atherosclerosis.

Use of antibiotics is common practice in agriculture; however, they can be released into the environment, potentially causing antimicrobial resistance. Naturally mined diatomaceous earth with bentonite was tested as a remediation material for tylosin, chlortetracycline, and ceftiofur in wastewater from a beef cattle feedlot. Langmuir binding affinity in 10 mM sodium phosphate buffer at pH 6.7 was established prior to testing wastewater to determine binding potential. Chlortetracycline was found to have a binding affinity of 15.2 mM^–1 and a binding capacity of 123 mg per g of diatomaceous earth while ceftiofur showed a much lower binding affinity and loading at 7.8 mM^–1 and 3 mg per g of diatomaceous earth, respectively. From spiked wastewater, tylosin (50 μg mL^–1, pH 8) and chlortetracycline (300 μg mL^–1, pH 6) were removed (100 and 80%, respectively) when treated with 20 mg of diatomaceous earth while ceftiofur (300 μg mL^–1, pH 8) remained in solution. When the spiked wastewater was flocculated with aluminum sulfate, a change in pH from 8 to 4 was observed, and chlortetracycline was removed from the wastewater; tylosin and ceftiofur remained in solution. When subsequently treated with diatomaceous earth, ceftiofur and tylosin were completely removed by diatomaceous earth from the flocculated wastewater.

In this study, we report the design of a new guanylated, cholic-acid-based monomer (GM) to combat antimicrobial resistance. The microbial activity stems from the interfacial amphiphilicity of cholic acid, while guanidine shows a strong association with phosphate, which promotes binding to membrane phospholipids. The monomer showed strong antimicrobial activity; however, surprisingly, homopolymers synthesized by photoiniferter reversible addition–fragmentation chain-transfer (RAFT) polymerization of GM completely lost their activity likely due to the conformation of the polymer. In contrast, the design of GM copolymers with poly(ethylene glycol) methyl ether methacrylate (PEGMA) or 2-hydroxyethyl methacrylate (HEMA) allowed recovery of their antimicrobial activity. Due to the existence of cholesterol in cell membranes, hemolysis was highly dependent on the content of GM incorporated. This study highlights the unique and intriguing properties of this novel amphiphilic monomer and its polymers, providing valuable insights into the development of more potent antimicrobial materials.

The extracellular matrix (ECM) of spinal meninge tissue closely resembles the wealthy ECM content of the brain and spinal cord. The ECM is typically acquired through the process of decellularizing tissues. Nevertheless, the decellularization process of the brain and spinal cord is challenging due to their high-fat content, in contrast to the spinal meninges. Hence, bovine spinal cord meninges offer a promising source to produce ECM-based scaffolds, thanks to their abundance, accessibility, and ease of decellularization for neural tissue engineering. However, most decellularization techniques involve disruptive chemicals and repetitive rinsing processes, which could lead to drastic modifications in the tissue ultrastructure and a loss of mechanical stability. Over the past decade, supercritical fluid technology has experienced considerable advancements in fabricating biomaterials with its applications spreading out to tissue engineering to tackle the complications mentioned above. Supercritical carbon-dioxide (scCO₂)-based decellularization procedures especially offer a significant advantage over classical decellularization techniques, enabling the preservation of extracellular matrix components and structures. In this study, we decellularized the bovine spinal cord meninges by seven different methods. To identify the most effective approach, the decellularized matrices were characterized by dsDNA, collagen, and glycosaminoglycan contents and histological analyses. Moreover, the mechanical properties of the hydrogels produced from the decellularized matrices were evaluated. The novel scCO₂-based treatment was completed in a shorter time than the conventional method (3 versus 7 days) while maintaining the structural and mechanical integrity of the tissue. Additionally, all hydrogels derived from scCO₂-decellularized matrices demonstrated high cell viability and biocompatibility in a cell culture. The current study suggests a rapid, effective, and detergent-free scCO₂-assisting decellularization protocol for clinical tissue engineering applications.

The Chenghai area is a secondary structural unit within the Qikou sag of the Bohai Bay Basin, located in the southern part of the Dagang offshore area, known for its abundant oil and gas resources. Influenced by multiple episodes of tectonic activity, the Chenghai area exhibits a highly developed fault system, which significantly impacts oil and gas exploration in the region. To investigate the structural characteristics of fault zones in the Chenghai area and their petroleum geological significance, this study builds upon previous research by utilizing oilfield drilling data and relevant seismic information. Through methods such as fault growth index analysis, structural evolution history, and examination of typical oil and gas reservoir profiles, a detailed structural analysis of fault-controlled hydrocarbon accumulation in this petroleum region was conducted. The results reveal three types of fault classifications in the study area: basal-controlled continuously active faults, buried reactivated segmented growth-connected faults, and late-stage continuously active isolated growth faults. The structural evolution is divided into four stages: the pre-Paleogene basement formation stage, the Rifting I stage of intense extensional deformation, the Rifting II stage of extensional stress reversal and intense deformation, and the post-Eocene weak extensional deformation-stable burial stage. The fault-controlled accumulation models include three types: fault-guided longitudinal accumulation, lateral sealing fault masking accumulation, and far-source step-like fault-guided accumulation. The formation of fault zones and fault-controlled oil and gas reservoirs in the Chenghai area is primarily influenced by inherited development faults, which determine the overall macroscopic distribution of oil and gas. The formation of oil and gas reservoirs occurred relatively late, with a general trend of decreased fault activity during this period, facilitating the effective accumulation and sealing of hydrocarbons.

Ethidium bromide (Et–Br) is a widely used fluorescent dye in molecular biology and biotechnology laboratories for visualizing nucleic acids in agarose gel electrophoresis. However, concerns have been raised about its environmental impact and potential health risks due to its persistence and toxicity. The potential accumulation and long-term effects on the environment necessitate the removal of Et–Br from water. This study investigates the potential of novel cold plasma technology for the degradation of Et–Br. Cold atmospheric plasma (CAP) is an environmentally friendly technology that does not produce secondary pollutants and generates a variety of potent chemical reactive oxidants such as hydroxyl radicals (^•OH), H₂O₂, NO₂, and NO₃. In this study, Et–Br was treated with CAP for 15 min without the addition of any chemicals, resulting in substantial removal of Et–Br. The degradation kinetics revealed that the CAP-treated Et–Br followed a pseudo-first-order reaction, dependent on the treatment time of CAP. The degradation of Et–Br by CAP is distinctly evident through the results obtained from both high-performance liquid chromatography (HPLC) and liquid chromatography-mass spectrometry (LC-MS) analyses, providing clear evidence of the occurrence of degradation. Furthermore, toxicity analyses of the degradation products were conducted by evaluating the Et–Br intercalation ability with DNA before and after treatment of Et–Br with CAP. To supplement the assessment, the binding of Et–Br with BSA has also been studied before and after CAP treatment. The impact of CAP-treated Et–Br on the growth and colony-forming unit (CFU) counts of Escherichia coli was also evaluated. Results indicated an increase in bacterial growth with an increase in CAP treatment time, suggesting that the degradation products of Et–Br using CAP were nontoxic. This study highlights the potential of CAP as a clean and efficient technology for the degradation of Et–Br, presenting a promising solution for mitigating its environmental and health risks.

In the present work, artificial neural network (ANN)-based machine learning models are developed to predict biomass pyrolysis kinetics. Data sets of thermogravimetric analysis and feedstock characterization from a diverse range of biomasses were used to build and test the networks. The composition of the raw biomass material was classified and used as input parameters of ANN models. Three models, which use ultimate analysis, proximate analysis, and three components as input parameters, were developed in this study. A total of 32 types of biomass raw materials were used, and 270 sets of kinetic data were obtained according to different pyrolysis conversion rates ranging from 0.1 to 0.9. Results show that increasing the number of neurons can improve the prediction accuracy. The optimized neuron number is 7–11. The largest relative deviation between experimental and modeling results for the three models are 20.80%, 14.06% and 12.85%, respectively, which proves that using cellulose, hemicellulose, and lignin as input parameters of the neural network model can better predict the activation energy of pyrolysis at each reaction stage. The particle swarm optimization algorithm could significantly improve the prediction accuracy of the BP-ANN model. The largest deviation for activated energy prediction decreases from 12.85% to 6.72%.

The accurate quantification of T cell subtypes and their proportions is of great significance in cell-based biomanufacturing, diagnosis, and advanced therapy. The development and application of a cell reference material (RM) provide a solid foundation for reliable and consistent T cell quantification worldwide. However, creating a cell RM that is both accurate and practical remains a challenge. In this study, we have developed a series of T cell RMs with a certified subtype proportion based on traceable accurate quantification and stable long-term preservation. We developed a quantitative flow cytometry method for the ratio of T cell subtypes with improved accuracy by using the calibration of certified reference materials of polystyrene beads. The relative standard deviation (RSD) for the quantification of CD3⁺, CD4⁺, and CD8⁺ subtypes was 0.43%, 0.64%, and 1.31%, respectively. To ensure long-term stability, an innovative lyophilization preservation technique was developed for our T cell RMs. The morphology and surface antigens (CD45, CD3, CD4, and CD8) of T cell RMs were characterized after lyophilization using immunofluorescence, demonstrating their equally good integrity compared with fresh cells. Their stability at 4 °C was demonstrated by continuous monitoring over 12 months. The final value assignment of the RMs was performed through quantification using flow cytometry in different laboratories. One of our RMs has been applied for the calibration of 54 different flow cytometry instruments. The T cell RMs have outstanding potential in the quality control of multiparameter flow cytometry measurements, and we believe they have great application prospects for the establishment and validation of T cell assays.

The harmful effects of quinolone antibiotics on ecology and human health have attracted widespread attention. In this study, bamboo biochar synthesized at different pyrolysis temperatures was used to remove quinolone antibiotics (moxifloxacin (MFX), ciprofloxacin (CIP), and ofloxacin (OFLX) as models). The pyrolysis temperature of 700 °C led to a high pore volume and average pore size of biochar. The biochar produced at 700 °C presented high adsorption properties for MFX, CIP, and OFLX. The maximum adsorption capacities for MFX, CIP, and OFLX were 135.56, 151.31, and 116.40 mg/g, respectively. The adsorption performance could be described by the Langmuir isotherm model and pseudo-second-order kinetic model. Biochar produced from waste bamboo could be applied as low-cost environmental adsorbents for quinolone antibiotics removal.

Bedaquiline (BDQ), a diarylquinoline compound, is an inhibitor of mycobacterial ATP synthase, specifically with FDA approval as a treatment for multidrug-resistant tuberculosis (MDR-TB). M2 is the main metabolite of BDQ and is active against tuberculosis. The objective of this study was to establish and validate a sensitive and convenient ultraperformance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) approach to concurrently quantify BDQ and M2 in rat plasma and to examine whether resveratrol, a CYP3A4 inhibitor, could influence the pharmacokinetics of BDQ and M2 in rats. Plasma samples containing the internal standard (IS) linezolid were formulated by adding acetonitrile for a simple one-step protein precipitation, and the analytes in samples were quantified by the UPLC-MS/MS method. BDQ and M2 were successfully calibrated in the ranges of 0.5–1000 and 1.0–200 ng/mL, where the lower limit of quantification (LLOQ) was 0.5 and 1.0 ng/mL, respectively. The precisions and accuracies of BDQ and M2 were in compliance with the FDA analytical standards. Recoveries and matrix effects of the analytes were satisfactory, and the analytes remained stable under four different temperatures and conditions. The well-validated UPLC-MS/MS method was successfully applied to the study of the food-drug interaction in rats. Remarkably, resveratrol increased the level of exposure of BDQ. Furthermore, the effect of resveratrol on the metabolism of BDQ and M2 needs further clinical studies.

Two-dimensional organic–inorganic perovskites have been attracted as candidates for multiferroic materials that exhibit two or more ferroic orders such as ferromagnetism, ferroelectricity, ferroelasticity, and ferrotoroidicity. Here, we introduce the structure, ferroelastic domains and magnetic properties of the two-dimensional organic–inorganic perovskite [C₆H₉(CH₂)₂NH₃]₂FeCl₄ (CHEA-Fe) composed of 2-(1-cyclohexenyl)ethylammonium and FeCl₄^2–. CHEA-Fe underwent two ferroelastic phase transitions from tetragonal to orthorhombic at 332 K and to monoclinic at 232 K with decreasing temperature and exhibited ferroelastic domains under polarized light as a consequence of these ferroelastic phase transitions. Magnetization measurements exhibited two magnetization jumps at the transition temperature, which agrees with ferroelastic phase transitions. Furthermore, CHEA-Fe acted as canted antiferromagnetism below T_N = 85.7 K. The isothermal magnetization revealed a magnetic hysteresis when the magnetic field was applied along the stacking axis of the layers.

Electrically conductive films of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonic acid) (PEDOT:PSS) are usually formed by spin coating of aqueous dispersions with PEDOT:PSS nanoparticles. To better understand the film formation, the adsorption conditions are investigated using dip coating and a flow cell with different flow rates. Multilayer films are formed by sequential adsorption of oppositely charged macromolecules or nanoparticles. PEDOT:PSS serves as polyanion, and PDADMA is the polycation. In the dip coating process, the first layer consists of a ≈70 nm thick PEDOT:PSS nanoparticle monolayer. Subsequent PDADMA/PEDOT:PSS bilayers have a constant thickness (9.5 nm). Using the flow cell (0.2 mL/min) for film preparation led to constant PDADMA/PEDOT:PSS bilayer thickness (7.5 nm). PEDOT:PSS nanoparticle monolayers were only observed after PEDOT:PSS adsorption when the washing step was omitted. The electrical conductivity is independent of the number of deposition cycles for both preparation methods. Films prepared by dip coating show low conductivity (26 kS/m) and high surface roughness, whereas films prepared by flow cell show high conductivity (230 kS/m) and low roughness (2–4 nm). We propose that the adsorption in a flow cell leads to a flat orientation of the PEDOT molecules, which increases charge carrier mobility. It is hoped that a better understanding of the relationship between adsorption conditions and carrier mobility will further improve electrical conductivity.

Atherosclerosis (ASC) is characterized by foam cell-mediated plaque formation, vascular endothelial inflammation, and lipidosis and is the rudimentary cause of cardiovascular diseases. This is the pre-eminent global factor of mortality. This etiological paradigm is significantly influenced by several proteins, where 23 pivotal proteins involved in ASC were meticulously gleaned on the basis of literature studies. The crux of the present study was aimed to probe the drugability of four active phytochemicals from Crataegus oxyacantha (COC): epicatechin, gallate, tyramine, and vitexin against the selected 23 proteins. The molecular docking analysis was judiciously administered via Glide, the binding free energy was calculated in detail utilizing the prime molecular mechanics-generalized Born surface area (MM-GBSA) module, and a deeper comprehensive investigation of protein–ligand dynamic associations was elucidated through Desmond. Drawing from the upper echelons of our docking results, the molecular dynamics simulation outcomes revealed that the macrophage migration inhibitory factor and prethrombin-1 showed persistent binding nature with gallate. The bioactive compound known as gallate sourced from COC shows the best molecular association with pivotal proteins involved in ASC and has a promising therapeutic potential for drug development endeavors.

Diclofenac is an emerging contaminant widely detected in water and has had adverse effects on the biota. In this study, the adsorbents were prepared by reacting tetradecyl-(C₁₄), hexadecyl-(C₁₆), and octadecyltrimethylammonium (C₁₈) bromides with sodium vermiculite (Na-Ver) and used for the removal of the first time for diclofenac sodium from aqueous solution. Synthesis was carried out in a microwave-assisted reactor operating at 50 °C for 5 min, using proportions of organic salts in 100 and 200% of the phyllosilicate cation exchange capacity. The stability of loaded alkylammonium solids was evaluated under drug adsorption conditions. Adsorption was mainly influenced by the amount of surfactant incorporated into the clay mineral according to the thermogravimetric and CHN elemental analysis data. Samples prepared with 200% CEC presented lower stability at pH 6.0 and 8.0. Drug adsorption was more effective for C₁₄-Ver-200%, C₁₆-Ver-200%, and C₁₈-Ver-200% samples, with a maximum retention of 97.8, 110.1, and 108.0 mg g^–1, respectively. The adsorptive capacities of C₁₄-Ver-200%, C₁₆-Ver-200%, C₁₈-Ver-200%, C₁₄-Ver-100%, C₁₆-Ver-100%, and C₁₈-Ver-100% were reduced to 29.0, 36.8, 41.0, 61.0, 50.4, and 58.0%, respectively, compared with their initial value after three adsorption cycles. X-ray diffraction (XRD) patterns revealed that diclofenac was adsorbed into the interlayer region of organovermiculites. Fourier transform infrared spectroscopy (FTIR), Zeta potential results, and the pH study of adsorption indicated that van der Waals interactions are dominant in the adsorption mechanism.

The increasing concern over the negative impact of electromagnetic radiation and interference on humans has led to a growing interest in microwave-absorbing materials that are cost-effective, have a wide frequency range, and have high efficiency. In this paper, an Fe₃O₄ nanoparticle/carbonized hemp fiber composite was successfully prepared using hemp fibers as the primary material and template. By carefully regulating the concentration of the iron nitrate impregnation solution, accurate loading of Fe₃O₄ nanoparticles onto the carbonized hemp fiber was achieved. Due to its unique porous structure, the balance between impedance matching, and electromagnetic loss, the prepared Fe₃O₄ nanoparticle/carbonized hemp fiber composite exhibits light weight, high absorption strength, and broadband absorption characteristics. The broadest absorption bandwidth of 6.1 GHz can be achieved, covering the entire Ku-band, and the minimum refection loss is as low as −49.7 dB. More interestingly, the Fe3O4 nanoparticle/carbonized hemp fiber composite exhibits attractive microwave absorption performance in both the X-band and Ku-band even with a wide range of Fe₃O₄ nanoparticle loading. Furthermore, simulations of the radar cross section (RCS) have confirmed that the Fe₃O₄ nanoparticle/carbonized hemp fiber composite is effective in attenuating electromagnetic waves in a real environment. This work presents an economical and efficient method for the development of porous carbon-based absorbents.

V-domain immunoglobulin suppressor of T cell activation (VISTA), an inhibitory immune checkpoint present on both immune and tumor cells, has emerged as a highly promising target for cancer therapy due to its potential to overcome resistance encountered with existing immune checkpoint treatments. VSIG-3 is determined as an inhibitory ligand for VISTA, leading to the suppression of T cell proliferation. However, hotspots between VISTA/VSIG-3 protein–protein interaction remain ambiguous, mainly attributed to the lack of the structure of the VISTA/VSIG-3 complex. Therefore, in this study, in order to determine the energetic contributions of the interfacial residues on VISTA, we first constructed VISTA/VSIG-3 complex models by the protein docking method, followed by molecular dynamics simulations, binding free-energy decomposition, and alanine scanning. Results suggested that the putative hotspots in VISTA comprise residues His32, Tyr37, Thr35, Glu47, Val48, Gln49, Glu53, Arg54, Gln73, His122, and His126. Moreover, the distribution of the hotspots was clustered into two regions (hot regions I and II), and by using the TRAPP tool, transient subpockets within the hot regions were identified. Furthermore, conformational states of the binding pockets exhibiting druggability scores higher than those observed in the crystal structure were found. Overall, we hope that the findings outlined in this study can be used to facilitate the development of inhibitors targeting the VISTA/VSIG-3 immune checkpoint pathway in the future.

Understanding the principle of the bacteria–anode surface interaction can enhance electron transfer in microbial fuel cells and aid in antibiofouling. In this article, we investigate the adsorption propensity of common adhesins [N-acetylglucosamine (NAG), d-glucose, and alginate] found in microbial biofilms on the surface of unmodified and modified graphite through density functional theory and molecular dynamics simulations. DFT results showed that all the molecules could interact with the graphite surface, with NAG (ΔE_gap = 3.677 eV) being the most reactive molecule. The Fukui function results show that the most active sites were located at O, C₁₃, and N on the adsorbates. The optimum conditions were basic medium at 303 K across all systems. All adsorbates show energetically favorable adsorption, with NAG showing the maximum adsorption energy irrespective of the modification. The modified graphite system showed increased adsorption compared to the unmodified graphite system. Electrostatic interactions, H-bonding, and π–π stacking or interactions are the driving forces responsible for the chemical bond formation in the adsorbates–adsorbent complexes. Altogether, this research provides theoretical support for bacterial adhesin adsorption onto graphite anodes and new ideas for studying bacteria–anode interactions in fuel cells, biofouling and antifouling, dental science, clean energy production, and wastewater treatment.

In this work, we present a comprehensive protocol for achieving hole doping in graphene through exposure to nitric acid (HNO₃) vapors. We demonstrate gradual p-type surface doping of CVD-grown graphene on a Si/SiO₂ substrate by thermally depositing nitric acid molecules to form self-assembled charge transfer complexes. Detailed analysis of charge carrier concentration and Fermi energy shifts was conducted using Raman, X-ray and ultraviolet photoelectron spectroscopies (XPS/UPS). Our methodology, including a novel PMMA coating step, ensures stability and efficiency of the doping process, highlighting its effectiveness in inducing permanent hole doping while maintaining the structural integrity of the graphene.

Given the critical need to preserve agricultural sustainability, there is an urgent call to address fungal infections. Our study presents a promising approach by focusing on SIX (Secreted in Xylem) proteins as a pivotal target for the development of innovative fungicidal strategies. Within the sphere of this study, we meticulously scrutinize the antifungal efficacy of our synthesized Cu(II) complex formulated as [Cu(L1)₂(L2)]⁺(ClO₄)⁻, where L1 represents (E)-cyclohexyl–N(pyridine-2-xlmethylene) methanamine and L2H denotes cinnamic acid, compared against a commercially available fungicide comprising 4% hexaconazole and 68% zineb. Employing in silico methodologies, we undertake a comparative analysis targeting SIX proteins to discern the potency of our compound. The X-ray diffraction, ¹H NMR, and FTIR spectroscopic techniques were utilized to elucidate the structure of the complex methodically. The lipophilicity test of the complex signifies its potential lipophilic nature and prompted further investigation into the complex’s interaction with DNA (DNA) and bovine serum albumin (BSA). The binding constant values suggested a notable interaction between the complex and both DNA and BSA. The antifungal test reveal that our complex emerges as a potent contender in the battle against Fusarium equisetum (F.E.), exhibiting a commendable efficacy that positions it as a viable substitute for the incumbent commercial fungicide. This discovery predicts well the prospect of bolstering agricultural resilience and safeguarding global food security in the face of pervasive fungal threats.

In this study; the in vitro effects of some drugs used in chemotherapy on the glucose-6-phosphate dehydrogenase enzyme (G6PD; E.C. 1.1.1.49) purified from human erythrocyte lysate were investigated. In the first stage of the study, G6PD enzyme was purified from human erythrocyte lysate (with a specific activity of 0.243 EU/mg protein, 68.75% yield and 162 purificaion fold) by ammonium sulfate precipitation and 2′, 5′ Adenosine diphosphate (ADP)-Sepharose 4B gel affinity chromatography. The purity of the enzyme was checked by the sodium dodecyl sulfate–polyacrylamide gel electrophoresis (SDS-PAGE). In the second stage of the study, the in vitro effects of some chemotherapy drugs such as ibandronic acid, fluorouracil, oxaliplatin, carboplatin, cyclophosphamide, doxorubicin, metoart con and cisplatin on the activity of the purified enzyme were investigated. As a result of the in vitro studies, the drugs ibandronic acid, oxaliplatin and carboplatin, have an inhibitory effect on the enzyme, and IC₅₀ values were calculated as 1.34, 2.05, and 2.43 mM, respectively. In addition, in order to determine the K_i constants and inhibition types for the drugs oxaliplatin and carboplatin, activity measurements were made at five different substrates and three fixed inhibitor concentrations and Lineweaver–Burk graphs were drawn. With the help of these graphs, the K_i constant of oxaliplatin was determined as 19.46 ± 3.38 mM and the K_i constant of carboplatin was 22.37 ± 3.19 mM. It was determined that the inhibition type of both drugs was competitive. It was determined that the drugs fluorouracil, cyclophosphamide, doxorubicin, metoart con, and cisplatin did not have a significant effect on the enzyme activity.

Here, we describe an innovative and efficient method for screening peptide activators of G-protein-coupled receptors (GPCRs) utilizing a protein–protein interaction (PPI) approach. We designed a library of 92,918 peptides fused with transmembrane domains of glycosylphosphatidylinositol-anchored proteins (GPI-APs). We employed a pooled lentiviral system to promote the expression of these proteins at the cellular membrane and evaluate their ability to activate GPCRs. We then used fluorescence-activated cell sorting (FACS) to screen the GPI-AP-peptide library and identify novel peptide activators of the glucagon-like peptide-1 receptor (GLP-1R). We discovered one peptide PepA3 derived from the Frizzled-like (FZ) domain of human Carboxypeptidase Z (CPZ), a regulated secreted metallocarboxypeptidase. Notably, PepA3 and its two related variants, PepA and PepA2, activated the GLP-1R receptor with less potency but comparable efficacy to that of GLP-1. We then hypothesized that all of these peptides will bind differently to the GLP-1R than the normal ligand. Our technology could identify novel GPCR-activating peptides for structure–function or drug discovery research.