Search Results (97)

Developing multifunctional wound dressings with excellent mechanical properties, strong tissue adhesion, and efficient antibacterial activity is crucial for promoting wound healing. This study prepared a novel nanocomposite hydrogel dressing based on sodium alginate-polyacrylic acid dual crosslinking networks, incorporating tannic acid-coated cellulose nanocrystals (TA@CNC) and in-situ reduced silver nanoparticles for multifunctional enhancement. The rigid CNC framework significantly improved mechanical properties (elastic modulus of 146 kPa at 1 wt%), while TA catechol groups provided excellent adhesion (36.4 kPa to pigskin, 122% improvement over pure system) through dynamic hydrogen bonding and coordination interactions. TA served as a green reducing agent for uniform AgNPs loading, with CNC negative charges preventing particle aggregation. Antibacterial studies revealed synergistic effects between TA-induced membrane disruption and Ag⁺-triggered reactive oxygen species generation, achieving >99.5% inhibition against Staphylococcus aureus and Escherichia coli. The TA@CNC-regulated porous structure balanced swelling performance and water vapor transmission, facilitating wound exudate management and moist healing. This composite hydrogel successfully integrates mechanical toughness, tissue adhesion, antibacterial activity, and biocompatibility, providing a novel strategy for advanced wound dressing development. Full article

M-edge X-ray absorption spectroscopy (XAS), which probes 3p→3d transitions in first-row transition metals, provides detailed insights into oxidation states, spin-states, and local electronic structure with high element and orbital specificity. Operating in the extreme ultraviolet (XUV) region, this technique provides sharp multiplet-resolved features with high sensitivity to ligand field and covalency effects. Compared to K- and L-edge XAS, M-edge spectra exhibit significantly narrower full widths at half maximum (typically 0.3–0.5 eV versus >1 eV at the L-edge and >1.5–2 eV at the K-edge), owing to longer 3p core-hole lifetimes. M-edge measurements are also more surface-sensitive due to the lower photon energy range, making them particularly well-suited for probing thin films, interfaces, and surface-bound species. The advent of tabletop high-harmonic generation (HHG) sources has enabled femtosecond time-resolved M-edge measurements, allowing direct observation of ultrafast photoinduced processes such as charge transfer and spin crossover dynamics. This review presents an overview of the fundamental principles, experimental advances, and current theoretical approaches for interpreting M-edge spectra. We further discuss a range of applications in catalysis, materials science, and coordination chemistry, highlighting the technique’s growing impact and potential for future studies. Full article

It is well known that aqueous solutions can emit electromagnetic waves in the radio frequency range. However, the physical nature of this process is not yet fully understood. In this work, the possible role of gas nanobubbles formed in the bulk liquid is considered. We develop a theoretical model based on the concept of gas bubbles stabilized by ions, or “bubstons”. The role of bicarbonate and hydronium ions in the formation and stabilization of bubstons is explained through the use of quantum chemical simulations. A new model of oscillating bubstons, which takes into account the double electric layer formed around their gas core, is proposed. Theoretical estimates of the frequencies and intensities of oscillations of such compound species are obtained. It was determined that oscillations of negatively charged bubstons can occur in the GHz frequency range, and should be accompanied by the emission of electromagnetic waves. To validate the theoretical assumptions, we used dynamic light scattering (DLS) and showed that, after subjecting aqueous solutions to vigorous shaking with a force of 4 or 8 N (kg·m/s²) and a frequency of 4–5 Hz, the volume number density of bubstons increased by about two orders of magnitude. Radiometric measurements in the frequency range of 50 MHz to 3.5 GHz revealed an increase in the intensity of radiation emitted by water samples upon the vibrational treatment. It is argued that, according to our new theoretical model, this radiation can be caused by oscillating bubstons. Full article

Nanomaterials have emerged as a transformative technology in agricultural science, offering innovative solutions to improve plant–microbe interactions and crop productivity. The unique properties, such as high surface area, tunability, and reactivity, of nanomaterials, including nanoparticles, carbon-based materials, and electrospun fibers, render them ideal for applications such as nutrient delivery systems, microbial inoculants, and environmental monitoring. This review explores various types of nanomaterials employed in agriculture, focusing on their role in enhancing microbial colonization and soil health and optimizing plant growth. Key nanofabrication techniques, including top-down and bottom-up manufacturing, electrospinning, and nanoparticle synthesis, are discussed in relation to controlled release systems and microbial inoculants. Additionally, the influence of surface properties such as charge, porosity, and hydrophobicity on microbial adhesion and colonization is examined. Moreover, the potential of nanocoatings and electrospun fibers to enhance seed protection and promote beneficial microbial interactions is investigated. Furthermore, the integration of nanosensors for detecting pH, reactive oxygen species, and metabolites offers real-time insights into the biochemical dynamics of plant–microbe systems, applicable to precision farming. Finally, the environmental and safety considerations regarding the use of nanomaterials, including biodegradability, nanotoxicity, and regulatory concerns, are addressed. This review emphasizes the potential of nanomaterials to revolutionize sustainable agricultural practices by improving crop health, nutrient efficiency, and environmental resilience. Full article

Dendrimers, 4-dimethylamino-1,8-naphthalimide (DAB) and its halogenated analog 3-bromo-4-dimethylamino-1,8-naphthalimide (DAB-Br), were evaluated on eukaryotic cells, human HFF-1 fibroblast cells, and five fungal species. Although both dendrimers have demonstrated antibacterial and antiviral potential, thus far, their effects on eukaryotic cells, particularly human and fungal cells, have not been investigated. For this purpose, their cytotoxicity, mechanisms of cellular entry, and antifungal activity were studied. Dynamic light scattering measurements revealed that both dendrimers exhibited positive surface charges (+28 to +35 mV), good colloidal stability, and nanoscale dimensions (117–234 nm), facilitating interactions with target cells. The MTT assay showed that DAB was more cytotoxic toward HFF-1 cells (IC₅₀ = 27 µg/mL) compared to DAB-Br (IC₅₀ = 68 µg/mL). In contrast, the resazurin-based antifungal assay demonstrated that DAB-Br had superior antifungal activity, achieving a lower minimum inhibitory concentration (0.148 µg/µL), compared to DAB (0.295 µg/µL). A trypan blue exclusion test revealed that both dendrimers entered cells through membrane permeabilization, either temporarily or permanently, depending on the concentration and exposure time. At concentrations above 30 µg/mL, irreversible permeabilization was observed within two hours of treatment, accompanied by a decrease in membrane lipid order, indicating altered membrane integrity and permeability. Conversely, at lower concentrations (7.5–15 µg/mL), dendrimers induced only temporary membrane permeabilization, with membranes remaining intact, suggesting a reversible interaction with the lipid bilayer. Conducting thorough and systematic research to fully explore their biological activities could provide valuable insight for future applications. Full article

Understanding electron density migration along excited-state pathways in photochemical systems is critical for optimizing solar energy conversion processes. In this study, we investigate photoinduced electron transfer (PET) in a covalently linked donor–bridge–acceptor (D-B-A) system, where [Cu(I)-bis(1,10-phenanthroline)]⁺ acts as an electron donor, and anthraquinone, tethered to one of the phenanthroline ligands via a vibrationally active ethyne bridge, behaves as an electron acceptor. Visible transient absorption spectroscopy revealed the dynamic processes occurring in the excited state, including PET to the acceptor species. This was indicated by the spectral features of the anthraquinone radical anion that appeared on a timescale of 30 ps in polar solvents. Time-resolved infrared (TRIR) spectroscopy of the alkyne vibration (CC stretch) of the ethyne bridge provided insight into electronic structural changes in the metal-to-ligand charge transfer (MLCT) state and along the PET reaction coordinate. The observed spectral shift and enhanced transition dipole moment of the CC stretch demonstrated that there was already partial delocalization to the anthraquinone acceptor following MLCT excitation, verified by DFT calculations. An additional excited-state TRIR signal unrelated to the vibrational mode highlighted delocalization between the phenanthroline ligands in the MLCT state. This signal decayed and the CC stretch narrowed and shifted towards the ground-state frequency following PET, indicating a degree of localization onto the acceptor species. This study experimentally elucidates charge redistribution during PET in a Cu(I) diimine D-B-A system, yielding important information on the ligand design for optimizing PET reactions. Full article

Isothermal titration calorimetry (ITC), circular dichroism (CD) spectroscopy, and molecular dynamics simulations were applied to describe interactions between lipopeptides and decavanadate ions ([V₁₀O₂₈]⁶⁻). The selected lipopeptides are conjugates of the amide of the KR12 peptide, the smallest antimicrobial peptide derived from human cathelicidin LL-37, with lauric acid (C12-KR12) and myristic acid (C14-KR12). The smaller sizes of C12-KR12 and C14-KR12 compared to proteins allow for the rigorous characterization of their non-covalent interactions with highly negatively charged [V₁₀O₂₈]⁶⁻ ions. The stoichiometry of the resulting decavanadate–peptide complexes and the thermodynamic parameters (ΔG, ΔH, and TΔS) of the interactions were determined. The ITC results, supported by the MD simulation, showed that the binding of cationic lipopeptides for decavanadate is rather non-specific and is driven by enthalpic contributions resulting from electrostatic interactions between the positively charged residues of the peptides and the anionic decavanadate. Furthermore, the influence of temperature and the interactions with decavanadate ions on the stability of the α-helical structure of the lipopeptides were assessed based on CD spectra. Under the experimental conditions (50 mM sodium cacodylate buffer, pH 5), the peptides adopt an α-helical conformation, with C14-KR12 showing greater thermal stability. The interactions with vanadium species disrupt the α-helical structure and reduce its thermal stability. Full article

Developing sustainable and efficient electrocatalysts for the oxygen evolution reaction (OER) is crucial for advancing energy storage technologies. This study explored the dual role of phosphorus as a dopant in carbon matrices and a key component in nickel phosphides (Ni₂P and Ni₁₂P₅), synthesized using dopamine (PDA) and ammonium phosphate as eco-friendly precursors. The phase formation of nickel phosphides was found to be highly dependent on the P/PDA ratio (0.15, 0.3, 0.6, and 0.9), allowing for the selective synthesis of Ni₂P or Ni₁₂P₅. Operando Raman spectroscopy revealed that both phases undergo surface transformation into nickel (oxy)hydroxide species under OER conditions, yet Ni₂P-based catalysts demonstrated superior activity and long-term stability. This enhancement is attributed to efficient electron transfer at the dynamic Ni₂P/NiOOH interface. Additionally, hollow nanostructures formed at intermediate P/PDA ratios (≤0.3) via the Kirkendall effect and Ostwald ripening contributed to an increased specific surface area and micropore volume, further improving the catalytic performance. Electrochemical impedance spectroscopy confirmed reduced interfacial resistance and enhanced charge transport. These findings offer new insights into the rational design of high-performance electrocatalysts and propose a green, tunable synthesis approach for advanced energy conversion applications. Full article

Introduction: The third step in histidine degradation is catalysed by imidazolonepropionase. It catalyses the conversion of 4-imidazolone-5-propionic acid to produce N-formimino-L-glutamic acid by hydrolyzing the carbon-nitrogen bonds. The histidine is a very expensive amino acid inside the cell and its degradation is a very conserved process. To date, very few reports are there regarding the structure of bacterial imidazolonepropionase but no reports have been published regarding the comparative structure and sequence analysis of this enzyme from bacterial sources. Methods: An in-silico study has been done to characterize the imidazolonepropionase from gram-positive Bacillus subtilis and gram-negative Agrobacterium fabrum. Results: The sequence analysis revealed that a higher amount of charged residues are present in Bacillus subtilis. These charged residues help in the increment of polarity and hydrophilicity of Bacillus subtilis. The formation of intra-protein interactions was also high in gram-positive species. Interestingly, both species have almost equal abundance of aromatic amino acids in their sequences, but the formation of aromatic-aromatic interactions was high in Bacillus subtilis. Finally, the molecular dynamics simulation study revealed that imidazolonepropionase from Bacillus subtilis was more stable and compact than Agrobacterium fabrum. Conclusions: The imidazolonepropionase from Bacillus subtilis was more stable than Agrobacterium fabrum. Due to the presence of higher stable imidazolonepropionase in Bacillus subtilis, it can use histidine more efficiently. Full article

The evolutionary arms race between host restriction factors and viral antagonists provides crucial insights into immune system evolution and viral adaptation. This study investigates the structural and evolutionary dynamics of the double-domain restriction factors A3F and A3G and their viral inhibitor, Vif, across diverse primate species. By constructing 3D structural homology models and integrating ancestral sequence reconstruction (ASR), we identified patterns of sequence diversity, structural conservation, and functional adaptation. Inactive CD1 (Catalytic Domain 1) domains displayed greater sequence diversity and more positive surface charges than active CD2 domains, aiding nucleotide chain binding and intersegmental transfer. Despite variability, the CD2 DNA-binding grooves remained structurally consistent with conserved residues maintaining critical functions. A3F and A3G diverged in loop 7’ interaction strategies, utilising distinct molecular interactions to facilitate their roles. Vif exhibited charge variation linked to host species, reflecting its coevolution with A3 proteins. These findings illuminate how structural adaptations and charge dynamics enable both restriction factors and their viral antagonists to adapt to selective pressures. Our results emphasize the importance of studying structural evolution in host–virus interactions, with implications for understanding immune defense mechanisms, zoonotic risks, and viral evolution. This work establishes a foundation for further exploration of restriction factor diversity and coevolution across species. Full article

Developing a catalyst with excellent electrical conductivity and catalytic performance for on-site testing of residual imidacloprid is significant and challenging. In situ growth of Mo₂C nanodots on Co-induced N-doped carbon nanotubes (Co/Mo₂C/N-CNT) was synthesized to construct a molecularly imprinted electrochemical sensor for the detection of imidacloprid. The results proved that the catalytic performance of Co/Mo₂C/N-CNT for imidacloprid was over two times higher than those of Co/N-CNT and commercial CNT. This improvement was attributed to the formation of a heterostructure between Co species, Mo₂C, and N-CNT, which facilitated highly exposed catalytic active sites. Additionally, the abundant Mo₂C nano-dots promoted interfacial charge transfer to achieve optimal dynamics. The optimum preparation parameters of the catalysts were obtained by response surface methodology. By analyzing the relationship between different pH values and peak potential, as well as the influence of different scanning rates on peak potential, it was deduced that the possible electrocatalytic mechanism of imidacloprid involved the reduction of the nitro group to a hydroxylamine group and H₂O. Under optimal conditions, the limit of detection (LOD) was 0.033 × 10⁻⁶ mol·L⁻¹ (R² = 0.99698), and the linear range was 0.1 × 10⁻⁶~100 × 10⁻⁶ mol·L⁻¹. The application effect of the prepared sensor was evaluated by measuring the imidacloprid in two kinds of tea, indicating that the sensor possessed good sensitivity and selectivity, and was capable of meeting the requirements of on-site detection. Full article

Sea anemone peptides represent a valuable class of biomolecules in the marine toxin library due to their various structures and functions. Among these, ShK domain peptides are particularly notable for their selective inhibition of the Kv1.3 channel, holding great potential for applications in immune regulation and the treatment of metabolic disorders. However, these peptides’ structural complexity and diversity have posed challenges for functional prediction. In this study, we compared 36 ShK domain peptides from four species of sea anemone in the South China Sea and explored their binding ability with Kv1.3 channels by combining molecular docking and dynamics simulation studies. Our findings highlight that variations in loop length, residue composition, and charge distribution among ShK domain peptides affect their binding stability and specificity. This work presents an efficient strategy for large-scale peptide structure prediction and activity screening, providing a valuable foundation for future pharmacological research. Full article

This study presents a prototype non-aqueous redox flow battery that advances the capabilities of conventional systems by achieving a wide operational voltage range, high efficiency, and prolonged cycle life. Leveraging the redox pair 10-[2-(2-methoxy ethoxy)ethyl]-10H-phenothiazine and 2-ethylterephthalonitrile, the system delivers a discharge cell voltage ranging from approximately 2.25 V to 1.9 V. To address the economic challenges associated with non-aqueous redox flow batteries, this work explores a cost-efficient design using a symmetric cell architecture and a low-cost, porous separator. To evaluate the feasibility and scalability of this approach, a 2D time-transient reactive transport model is developed, integrating Nernst–Planck electroneutrality principles and porous electrode kinetics. The model is optimized and validated against experimental charge/discharge cycles, accurately predicting voltage behavior. Additionally, the study provides crucial insights into the crossover phenomenon, elucidating the transport dynamics and spatial distribution of active species within the cell. This comprehensive framework establishes a robust foundation for future efforts to scale and optimize non-aqueous redox flow batteries for large-scale energy storage applications, bringing them closer to commercial viability. Full article

Brassica crops are vital as they supply essential minerals, antioxidants, and bioactive substances like anthocyanins, glucosinolates, and carotenoids. However, biotic and abiotic elements that cause oxidative stress through heavy metals and other eco-toxicants pose a risk to Brassica plants. Increased generation of Reactive Oxygen Species (ROS) causes oxidative stress, which damages biomolecules and interferes with plant growth, productivity, and cellular equilibrium. Plants producing Brassica need an intricate enzyme defence mechanism to fend off oxidative stress. All the enzymes that have been addressed are found in mitochondria, peroxisomes, chloroplasts, and other cell components. They are in charge of removing ROS and preserving the cell’s redox balance. Additionally, Brassica plants use secondary metabolites called Glucosinolates (GLs), which have the capacity to regulate enzymatic activity and act as antioxidants. By breaking down compounds like sulforaphane, GLs boost antioxidant enzymes and provide protection against oxidative stress. To develop methods for improving agricultural crop stress tolerance and productivity in Brassica, it is necessary to comprehend the dynamic interaction between GL metabolism and enzymatic antioxidant systems. This highlights the possibility of maximizing antioxidant defences and raising the nutritional and commercial value of Brassica across the globe by utilizing genetic diversity and environmental interactions. Full article

We focus on higher-order matched asymptotic expansions of a one-dimensional classical Poisson–Nernst–Planck system for ionic flow through membrane channels with two oppositely charged ion species under relaxed electroneutrality boundary conditions. Of particular interest are the current–voltage (I–V) relations, which are used to characterize the two most relevant biological properties of ion channels—permeation and selectivity—experimentally. Our result shows that, up to the second order in $\epsilon =\sqrt{\lambda /r}$, where $\lambda$ is the Debye length and r is the characteristic radius of the channel, the cubic I–V relation has either three distinct real roots or a unique real root with a multiplicity of three, which sensitively depends on the boundary layers because of the relaxation of the electroneutrality boundary conditions. This indicates more rich dynamics of ionic flows under our more realistic setups and provides a better understanding of the mechanism of ionic flows through membrane channels. Full article