Search Results (118)

This research focuses on designing polymer membranes as biocompatible materials using home-built electrospinning equipment, offering alternative solutions for tissue regeneration applications. This technological development supports cell growth on biomaterial substrates, including hepatocellular carcinoma (Hep-G2) cells. This work researches the compatibility of polymer membranes (fiber mats) made of polyvinylidene difluoride (PVDF) for possible use in cellular engineering. A standard culture medium was employed to support the proliferation of Hep-G2 cells under controlled conditions (37 °C, 4.8% CO₂, and 100% relative humidity). Subsequently, after the incubation period, electrochemical impedance spectroscopy (EIS) assays were conducted in a physiological environment to characterize the electrical cellular response, providing insights into the biocompatibility of the material. Scanning electron microscopy (SEM) was employed to evaluate cell adhesion, morphology, and growth on the PVDF polymer membranes. The results suggest that PVDF polymer membranes can be successfully produced through electrospinning technology, resulting in the formation of a dipole structure, including the possible presence of a polar β-phase, contributing to piezoelectric activity. EIS measurements, based on R_ct and C_dl values, are indicators of ion charge transfer and strong electrical interactions at the membrane interface. These findings suggest a favorable environment for cell proliferation, thereby enhancing cellular interactions at the fiber interface within the electrolyte. SEM observations displayed a consistent distribution of fibers with a distinctive spherical agglomeration on the entire PVDF surface. Finally, integrating piezoelectric properties into cell culture systems provides new opportunities for investigating the influence of electrical interactions on cellular behavior through electrochemical techniques. Based on the experimental results, this electrospun polymer demonstrates great potential as a promising candidate for next-generation biomaterials, with a probable application in tissue regeneration. Full article

In order to explore the essence of the anticoccidiosis of anticoccidial drugs under bioelectric currents, the intermolecular double-proton transfer and conformational transformation of 4-pyridone-3-carboxylic acid were investigated by quantum chemistry calculations (at the M06-2X/6-311++G**, M06-2X/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ levels) and finite temperature string (FTS) under external electric fields. The solvent effect of H₂O on the double-proton transfer was evaluated by the integral equation formalism polarized continuum model. The results indicate that the influences of the external electric fields along the direction of the dipole moment on double-proton transfer are significant. The corresponding products are controlled by the direction of the external electric field. Due to the first-order Stark effect, some good linear relationships form between the changes of the structures, atoms in molecules (AIMs) results, surface electrostatic potentials, barriers of the transition state, and the external electric field strengths. From the gas to solvent phase, the barrier heights increased. The spatial order parameters (ϕ, ψ) of the conformational transformation could be quickly converged through the umbrella sampling and parameter averaging, and thus the free-energy landscape for the conformational transformation was obtained. Under the external electric field, there is competition between the double-proton transfer and conformational transformation. The external electric field greatly affects the cooperativity transfer, while it has little effect on the conformational transformation. This study is helpful in the selection and updating of anticoccidial drugs. Full article

We introduce the concept of the magnetic metapole—a theoretical extension of classical multipole theory involving a fractional j pole count (related to the harmonic degree n as j = 2ⁿ). Defined by a scalar potential with colatitudinal dependence and no radial variation, the metapole yields a magnetic field that decays as 1/r and is oriented along spherical surfaces. Unlike classical multipoles, the metapole cannot be described as a point source; rather, it corresponds to an extended or filamentary magnetic distribution as derived from Maxwell’s equations. We demonstrate that pairs of oppositely oriented metapoles (up/down) can, at large distances, produce magnetic fields resembling those of classical monopoles. A regularized formulation of the potential resolves singularities for the potential and the field. When applied in a bounded region, it yields finite field energy, enabling practical modeling applications. We propose that the metapole can serve as a conceptual and computational framework for representing large-scale magnetic field structures particularly where standard dipole-based models fall short. This construct may have utility in both geophysical and astrophysical contexts, and it provides a new tool for equivalent source modeling and magnetic field decomposition. Full article

Background: The rise in multidrug-resistant bacteria has intensified the search for new antibiotics, drawing attention to essential oils (EOs) for their antimicrobial properties. For this reason, this study focuses on the antimicrobial action of the EO obtained from Tagetes minuta and its impact on bacterial membranes. Methods: The EO was chemically characterized by chromatography–mass spectrometry, and its antimicrobial activity and its effects on surface and bacterial membrane were assessed by using Zeta potential, membrane transition temperature (Tm) determination; and fluorescence spectroscopy with Laurdan and Di-8 ANEPPS. Results: Twenty-seven compounds could be identified, with (E)-Tagetone, (Z)-Ocimenone, and β-pinene as the most abundant. Afterward, the EO was tested against Escherichia coli (MIC and MBC = 17 mg/mL) and Staphylococcus aureus (MIC = 8.5 mg/mL; MBC > 17 mg/mL), showing antimicrobial action in both bacteria, being more effective against E. coli. Mechanistic studies revealed that the EO interacts with bacterial membranes, increasing the Zeta potential by more than 9 mV and enhancing membrane permeability up to 90%. These effects were further confirmed using model lipid membranes, where the EO induced significant changes in membrane properties, including a reduction in dipole potential and transition temperature, suggesting that some EO components could be inserted into the lipid bilayer, disrupting membrane integrity. Conclusions: The EO from T. minuta demonstrates efficient antimicrobial activity by compromising bacterial membrane structure, highlighting its potential as a natural antimicrobial agent. Full article

Poly(vinylidene fluoride-trifluoroethylene) (PVTF) nanoparticles coatings with electrically heterogeneous microdomains were engineered to mimic the natural electromechanical microenvironment of bone tissue, offering a novel strategy to enhance osteogenesis. Through a biphasic solvent phase separation method, PVTF nanoparticles (NPs) were synthesized and spin-coated onto substrates, followed by melt-recrystallization to achieve high β-phase crystallinity. The substrates were then subjected to corona poling, a process involving high-voltage corona discharge to electrically polarize and align the molecular dipoles. Structural and electrical characterization revealed tunable microdomain surface potentials and piezoelectric coefficients, correlating with enhanced hydrophilicity. Notably, microdomain potential—produced by controlled polarization—was shown to directly regulate cellular responses. In vitro studies demonstrated that a corona-poled PVTF NP coating significantly improved bone marrow mesenchymal stem cell (BMSC) proliferation and early osteogenic differentiation. This work establishes a surface electropatterning approach and highlights the critical role of electrical heterogeneity in bone regeneration, offering a novel strategy for bioactive biomaterial design. Full article

Noble metal nanostructures have garnered significant attention for their exceptional optical properties, particularly Localized Surface Plasmon Resonance (LSPR), which enables pronounced near-field electromagnetic enhancements. Among these, bowtie nanoantennas (BNAs) are distinguished by their intense plasmonic coupling within nanogap regions, making them highly effective for applications such as surface-enhanced Raman scattering (SERS). However, the practical utility of conventional BNAs is often hindered by small hotspot areas and significant scattering losses at their peak near-field enhancement wavelengths. To overcome these limitations, we have designed a novel notch metal-insulator-metal bowtie nanoantenna (NMIM-BNA) structure. This innovative design integrates dielectric materials with Ag-BNA nanostructures and strategically positions arrays of silver (Ag) nanorods within the central nanogap. By coupling the larger NMIM-BNA framework with these smaller Ag nanorod arrays, higher-order plasmon modes (often referred to as dark modes) are effectively excited. Consequently, the NMIM-BNA exhibits substantial electric field enhancement, particularly at the Fano dip wavelength, arising from the efficient coupling of these higher-order plasmon modes with dipole plasmon modes. Compared to conventional Ag-BNA nanoantennas, our NMIM-BNA provides a significantly larger hotspot region and an enhanced near-field amplification factor, underscoring its strong potential for advanced SERS applications. Full article

This article presents a novel tightly coupled dipole array (TCDA) with a bandwidth of 26.2:1 (VSWR < 3) across 0.20–5.23 GHz. By adding a new dual-stopband resistive frequency selective surface (RFSS) between the dipole and the floor, the short-circuit points formed by the floor at the frequency points corresponding to λ = 2 h and h are both eliminated (h is the height from the antenna to the floor). A specially integrated feed network is also applied to significantly reduce the complexity and profile height to 0.05 λ_low. The simulation and experimental results show that the designed TCDA has extremely wide bandwidth, good directivity and beam scanning potential. Compared with previous designs, it greatly extends the bandwidth, improves the gain, reduces the profile height, and simplifies the feeding method. Full article

Effective laser cooling schemes are fundamental for preparing ultracold triatomic molecules. Here, efficient laser cooling strategies for alkaline-earth hydroxides (XOH, X = Ca, Sr, Ba) are proposed using high-precision quantum calculations. By mapping Λ-S- and Ω-state potential energy surfaces, we identified quasi-closed optical cycles with dominant Franck–Condon factors (FCFs) and strong transition dipoles. The scheme utilizes targeted repumping to suppress vibrational leaks, enabling >10⁴ photon scatters per molecule, exceeding Doppler cooling requirements. These results establish XOH molecules, particularly BaOH, as viable candidates for laser cooling experiments, providing key theoretical insights for ultracold triatomic molecule production. Full article

Magnetoencephalography (MEG) is a non-invasive neuroimaging technique that measures weak magnetic fields generated by neural electrical activity in the brain. Traditional MEG systems use superconducting quantum interference device (SQUID) sensors, which require cryogenic cooling and employ a dense array of sensors to capture magnetic field maps (MFMs) around the head. Recent advancements have introduced optically pumped magnetometers (OPMs) as a promising alternative. Unlike SQUIDs, OPMs do not require cooling and can be placed closer to regions of interest (ROIs). This study aims to optimize the layout of OPM-MEG sensors, maximizing information capture with a limited number of sensors. We applied a sequential selection algorithm (SSA), originally developed for body surface potential mapping in electrocardiography, which requires a large database of full-head MFMs. While modern OPM-MEG systems offer full-head coverage, expected future clinical use will benefit from simplified procedures, where handling a lower number of sensors is easier and more efficient. To explore this, we converted full-head SQUID-MEG measurements of auditory-evoked fields (AEFs) into OPM-MEG layouts with 80 sensor sites. System conversion was done by calculating a current distribution on the brain surface using minimum norm estimation (MNE). We evaluated the SSA’s performance under different protocols, for example, using measurements of single or combined OPM components. We assessed the quality of estimated MFMs using metrics, such as the correlation coefficient (CC), root-mean-square error, and relative error. Additionally, we performed source localization for the highest auditory response (M100) by fitting equivalent current dipoles. Our results show that the first 15 to 20 optimally selected sensors (CC > 0.95, localization error < 1 mm) capture most of the information contained in full-head MFMs. Our main finding is that for event-related fields, such as AEFs, which primarily originate from focal sources, a significantly smaller number of sensors than currently used in conventional MEG systems is sufficient to extract relevant information. Full article

This article presents a method for synthesizing a polymer composite based on the interaction of PVA and HNa isolated from coals from the Shubarkol deposit (Karaganda, Kazakhstan). The study focuses on the macromolecular aspects of the formation of the polymer matrix structure and the effect of a natural modifier on the properties of the composite. Taking into account the concept of macromolecular design, the addition of small additives of HNa (2–10%) significantly changes the nature of intermolecular interactions in the solution, promoting the accelerated structuring of the polymer network. This is manifested in a decrease in the gelation time, which is confirmed by a kinetic analysis based on changes in the relative viscosity of the systems. It was found that the greatest increase in viscosity is achieved on the fifth day with a content of 10% HNa and pH = 7, which, on the fifth day, indicates a critical concentration of the modifier necessary for the formation of a stable spatial network of hydrogen bonds and ion-dipole interactions between the functional groups of PVA and HNa. Morphological studies using AFM showed that an increase in the HNa content leads to a significant smoothing of the composite surface, indicating the formation of a more homogeneous and dense structure. These changes are due to the reorganization of the macromolecular architecture under the influence of modifying additives. The adsorption characteristics of the composite were estimated by the maximum sorption capacity, which was 3.40 mmol/g for Cu(II) ions. The results emphasize that the targeted control of the structure at the macromolecular level allows the creation of polymeric materials with specified physicochemical properties that are effective for wastewater treatment from heavy metals. The study demonstrates the potential of macromolecular design as a tool for the development of polymer composites with improved performance characteristics and environmental significance. Full article

Obtaining the dielectric constant and refractive index of the siloxane surface of montmorillonite (Mnt) and organic groups is difficult, limiting the study of Van der Waals (VDW) interactions between the hydrophilic end of quaternary ammonium surfactants (QASs) and Mnt. In this study, the average adsorption distance, VDW adsorption energy, and VDW constant of QASs and their groups adsorbed on the montmorillonite surface are obtained by microcalorimeter. Herein, the VDW interactions between five QASs and a Mnt surface are compared. Interactions between QASs with different hydrophilic ends and Mnt in aqueous solution were positively correlated with the dipole moment of the hydrophilic end groups, and the VDW interaction energies differed depending on the superposition of CH₂ adsorption at the hydrophobic ends. The electrostatic and VDW adsorption capacities were studied through zeta potential and adsorption capacity experiments. Physical adsorption was determined using Fourier-transform infrared spectroscopy, and the hydrophobic floc morphology was characterized using environmental scanning electron microscopy. Focused beam reflectance measurements, thermogravimetric-differential scanning calorimetry, and light transmittance were used to quantitatively analyze the hydrophobic effect of the QASs. Full article

In this work, Mg²⁺ modified chitosan (Mg²⁺/CS) is proposed and successfully designed. By investigating the effects of the Mg²⁺ and CS interaction on hydrogen bonding, dipoles, charge density, surface potential, and roughness, the coordination between Mg²⁺ and CS is verified and the mechanism of coordination improving tribological properties is elucidated. The Mg²⁺/CS coordination structure enhances intermolecular interactions, promoting the formation of new hydrogen bonds and increasing the dipoles. Compared to CS, the relative dielectric constant of Mg²⁺/CS increased by 76%, the surface potential increased by 70 mV, and the root mean square roughness increased by 39.4 nm. The open-circuit voltage, short-circuit current, and charge density of the triboelectric nanogenerator (TENG) fabricated from Mg²⁺/CS were increased by 100%, 94%, and 75%, respectively, compared to the CS-TENG fabricated from pure CS. The coordination of Mg²⁺ increased the charge density of the Mg²⁺/CS-TENG, significantly enhancing its charge transfer capability. The Mg²⁺/CS-TENG successfully provided power for photodetectors and LEDs. Mg²⁺/CS exhibited excellent flexibility and skin adhesion, and the Mg²⁺/CS-TENG successfully converted the mechanical energy generated by human joint motion into electrical signals. The coordination structure of Mg²⁺ with CS enhances the triboelectric performance of Mg²⁺/CS-TENG, providing new light for the research of chitosan-based TENGs. Full article

Field horsetail (Equisetum arvense L.) is widely utilized in traditional medicine and is a rich source of bioactive compounds such as flavonoids, phenolic acids, and silica. This study investigates the protective effect of the polyphenolic extract from field horsetail (HLE) on erythrocytes and their cell membranes. The content of polyphenolic compounds in the extract was determined using the HPLC-DAD and Folin–Ciocalteu methods. The extract’s hemolytic activity, toxicity, antioxidant activity, and its impact on the physical properties of erythrocytes and lipid membrane were investigated. The antioxidant properties were evaluated using erythrocytes and isolated erythrocyte membranes oxidized by UVC radiation and AAPH. The impact of the extract on the ordering and fluidity of erythrocyte and model lipid membranes was studied. Furthermore, the transmembrane potential, shape of erythrocytes and the dipole potential of the lipid membranes under the influence of HLE were evaluated. The results indicated that HLE extract exhibited no toxicity to erythrocytes and HMEC-1 cells. HLE components effectively protect erythrocytes and their membranes against oxidation. They interact with the outer, polar surface of the erythrocyte membrane and reduce both erythrocyte membrane potential and lipid membrane dipole potential. The HLE polyphenols decrease the concentration of free radicals at the surface of the membrane, where they are located, and serve as a protective barrier, preventing penetration into the membrane. Full article

Gas hydrate systems display complex structural arrangements in their bulk and interfacial configurations. Controlling nucleation and growth in the context of potential applications requires a characterization of these structures such that they can be manipulated at the atomic and molecular scale to fine tune macroscale applications. This work uses molecular dynamics to show the different methods of identifying interface location and thickness, the drawbacks of certain methods, and proposes improved methodology to overcome sampling issues. We characterize the interfacial position and thickness using structure and dipole-based methods at different conditions for water/sII natural gas hydrate mixtures. We find that phases with similar densities are particularly sensitive to the regression technique employed and may not resolve the thickness of the complex pre-melting layer adequately, while the dipole moments may provide better resolution. The dipole shows the complex natural of the small and compressed layer that presents on the hydrate surface. These results show that the interface is thin but dynamic and careful characterization required analysis of multiple molecular phenomena. Full article

This study examines the trends and interannual variability of extreme precipitation in Antarctica, using six decades (1963–2023) of daily precipitation data from Russia’s Novolazarevskaya Station in East Antarctica. The results reveal declining trends in both the annual number of extreme precipitation days and the total amount of extreme precipitation, as well as a decreasing ratio of extreme to total annual precipitation. These trends are linked to changes in northward water vapor flux and enhanced downward atmospheric motion. The synoptic pattern driving extreme precipitation events is characterized by a dipole of negative and positive height anomalies to the west and east of the station, respectively, which directs southward water vapor flux into the region. Interannual variability in extreme precipitation days shows a significant correlation with the Niño 3.4 index during the austral winter semester (May–October). This relationship, weak before 1992, strengthened significantly afterward due to shifting wave patterns induced by tropical Pacific sea surface temperature anomalies. These findings shed light on how large-scale atmospheric circulation and tropical-extratropical teleconnections shape Antarctic precipitation patterns, with potential implications for ice sheet stability and regional climate variability. Full article