Search Results (426)

Inconsistency in the structural strengths of a membrane wing under positive and negative loads has undesirable impacts on the aeroelastic deflections of the wing, which results in more significant flight control system modeling errors and worsens the performance of the aircraft. In this paper, an integrated dynamic model is derived for a membrane-wing aircraft based on the structural dynamics equation of the membrane wing and the flight dynamics equation of the traditional fixed wing. Based on state feedback control theory, an autopilot system is designed to unify the flight and control properties of different flight and wing deformation statuses. The system uses models of different operating regions to estimate the dynamic response of the vehicle and compares the estimation results with the sensor signals. Based on the compared results, the autopilot can identify the overall flight and select the correct operating region for the control system. By switching to the operating region with the minimum modeling error, the autopilot system maintains good flight performance while flying in turbulence. According to the simulation results, compared with traditional rigid aircraft autopilots, the proposed autopilot can reduce the absolute maximum attack angles by nearly 27% and the absolute maximum wingtip twist angles by nearly 25% under gust conditions. This enhanced robustness and stability performance demonstrates the autopilot’s significant potential for practical deployment in micro-aerial vehicles, particularly in applications demanding reliable operation under turbulent conditions, such as military surveillance, environmental monitoring, precision agriculture, or infrastructure inspection. Full article

Access to clean water is a pressing global concern and membrane technologies play a vital role in addressing this challenge. Thin-film composite membranes prepared via interfacial polymerization (IPol) using meta-phenylenediamine (MPD) and trimesoyl chloride (TMC) exhibit excellent separation performance, but face limitations such as fouling and low hydrophilicity. This study investigated the interaction between MPD and sulfonated zinc phthalocyanine, Zn(SO₂⁻)₄Pc, as a potential strategy for enhancing membrane properties. Using Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT), we analyzed the optimized geometries, electronic structures, UV–Vis absorption spectra, FT-IR vibrational spectra, and molecular electrostatic potentials of MPD, Zn(SO₂⁻)₄Pc, and their complexes. The results show that MPD/Zn(SO₂⁻)₄Pc exhibits reduced HOMO-LUMO energy gaps and enhanced charge delocalization, particularly in aqueous environments, indicating improved stability and reactivity. Spectroscopic features confirmed strong interactions via hydrogen bonding and π–π stacking, suggesting that Zn(SO₂⁻)₄Pc can act as a co-monomer or additive during IPol to improve polyamide membrane functionality. A conformational analysis of MPD/Zn(SO₂⁻)₄Pc was conducted using density functional theory (DFT) to evaluate the impact of dihedral rotation on molecular stability. The 120° conformation was identified as the most stable, due to favorable π–π interactions and intramolecular hydrogen bonding. These findings offer computational evidence for the design of high-performance membranes with enhanced antifouling, selectivity, and structural integrity for sustainable water treatment applications. Full article

This study presents data from Reverse Osmosis (RO) and Nanofiltration (NF) spiral-wound polyamide modules tested in a semi-pilot plant with multicomponent mixtures of Volatile Fatty Acids (VFAs) comprising acetic, propionic, butyric, valeric, and hexanoic acids. A robust method combining film theory and dissociation equilibria was developed to estimate interfacial concentrations, enabling accurate analysis of concentration polarization, real rejection, and effective transmembrane driving force. Concentration polarization strongly affects NF membranes, resulting in real rejections up to 20% higher than apparent values, while its effect is negligible for RO membranes. NF rejections show marked sensitivity to pH and VFA feed concentration: at 20 g/L and highest flux, acetic acid real rejection increases from 80% to 91% as pH rises from 6 to 9. At pH 7, rejections decline with feed concentration, with acetic acid dropping from 55% at 20 g/L to 32% at 63 g/L, at the same flux. These changes correlate with the molecular weight of the acids. Conversely, RO rejections are marginally affected by pH and not influenced by concentration due to dominant steric exclusion. Membrane permeabilities remain unaffected by VFAs and align with pure water values. The data analysis framework is effective and applicable across a wide range of conditions and membranes. Full article

This paper investigates the vibration characteristics of tensioned umbrella-shaped membrane structures with complex curvature under heavy rainfall. To solve the geometrical problem of the complex curvature of a membrane surface, we set the rule of segmentation and simplify the shape by dividing it into multi-segment conical membranes. The generatrix becomes a polyline with a constant surface curvature in each segment, simplifying calculations. The equivalent uniform load of different rainfall intensity is determined by the theory of the stochastic process. The governing equations of the isotropic damped nonlinear forced vibration of membranes are established by using the theory of large deflection by von Karman and the principle of d’Alembert. The equations of the forced vibration of the membrane are solved by using Galerkin’s method and the small-parameter perturbation method, and the displacement function, vibration frequency, and acceleration of the membrane are obtained. At last, the influence of the height–span ratio, number of segments, pretension and load on membrane displacement, vibration frequency, and acceleration of the membrane surface are analyzed. Based on the above data, the general law of deformation of the umbrella-shaped membrane under heavy rainfall is obtained. Data and methods are provided for the design and construction of the membrane structure as a reference. Moreover, we propose methods to enhance calculation accuracy and streamline the computational process. Full article

The virus-first theory presents a model in which viral lineages emerged before cells. This proposal aims to give the theory greater relevance by offering a plausible evolutionary framework that explains both (i) the origin of viruses from prebiotic chemistry and (ii) how viruses contributed to the emergence of cells. Here, we propose that viruses should be understood as a distinct class of ribonucleoprotein (RNP) systems, some of which evolved directly from the RNP-world. In our model, simple progenotes produced capsid-like particles through the evolution of a single gene encoding a self-assembling peptide. This allowed the formation of icosahedral shells around RNA genomes, as observed today in certain viral families whose capsids consist of ~60 identical subunits derived from a single gene product. These early capsids enabled mobility and protection, representing key intermediates toward biological complexity. Over time, some of those populations acquired additional peptides and evolved more elaborate architectures. Finally, the incorporation of lipid-binding domains in those capsid-like peptides allowed the formation of proteolipidic membranes akin to those found in modern cells. This model provides a gradualistic and logically coherent evolutionary path from the RNP-world to the emergence of cellular life, emphasizing the foundational role of viruses in early evolution. Full article

Combining Brownian dynamics simulations and self-consistent field theory, we demonstrate that stable assembled structures, such as vesicles, toroidal micelles, bowl-like micelles, sheet-like micelles, non-spherical vesicles, and cylindrical micelles, are dependent on the molecular parameters of amphiphilic comb-like copolymers. Importantly, we find that vesicle formation involves two intermediate states, sheet-like and bowl-like micelles, and the difference in their free energies is minimal, which illustrates the coexisting phase between them. Moreover, the assembled vesicles can be modulated in the membrane thickness with overall size, unchanged only by adjusting the backbone length. We also demonstrate the coexistence of toroidal and cylindrical micelles because neither structure has a significant advantage over the other in free energy. Our work points out how to obtain different morphologies by adjusting the molecular parameters of amphiphilic comb-like copolymers, instilling confidence in their potential for stable drug encapsulation and enhanced targeted drug delivery. Full article

In this work, HNTs@ZIF-67 composites were synthesized using the in situ growth method and incorporated into 6FDA-TFMB to prepare mixed-matrix membranes (MMMs). Scanning electron microscope (SEM) and transmission electron microscope (TEM) proved that the HNTs@ZIF-67 composite not only retained the hollow structure of HNTs, but also formed a continuous ZIF-67 transport layer on the surface of HNTs. The results of gas permeability experiments showed that with the increase in HNTs@ZIF-67 incorporation, the He permeability and He/CH₄ selectivity of MMMs showed a trend of increasing first and then decreasing. When the loading is 5 wt%, the He permeability and He/CH₄ selectivity of MMMs reach 116 Barrer and 305, which are 22.11% and 79.41% higher than the pure 6FDA-TFMB membrane. The results of density functional theory (DFT) and Monte Carlo (MC) calculations reveal that He diffuses more easily inside ZIF-67, HNTs and 6FDA-TFMB than CH₄, and ZIF-67 shows larger adsorption energy with He than HNTs and 6FDA-TFMB, indicating that He is easily adsorbed by ZIF-67 in MMMs. Based on experimental and molecular simulation results, the mechanism of HNTs@ZIF-67 improving the He/CH₄ separation performance of MMMs was summarized. With the advantage of a smaller molecular kinetic diameter, He can diffuse through ZIF-67 on the tube orifice of HNTs@ZIF-67 and enter the HNTs’ hollow tube for rapid transmission. At the same time, He can also be rapidly transferred in the continuous ZIF-67 transport channel layer, which improves the He permeability and the He/CH₄ selectivity of MMMs. Full article

We report on the synthesis and characterization of a novel fluorenyl-methoxycarbonyl (Fmoc)-containing thioxo-triazole-bearing dipeptide 5, evaluated for potential therapeutic applications. The compound was tested for its antioxidant and antimicrobial properties, demonstrating significant effects in scavenging reactive oxygen species (ROS) and inhibiting microbial growth, particularly when combined with plant extracts from an endemic Peonia species from the Caucasus. Circular dichroism (CD) binding studies with bovine serum albumin (BSA) and calf thymus DNA revealed important interactions, suggesting the dipeptide’s potential in biomedically relevant conditions that involve DNA modulation. Molecular docking and CD spectra deconvolution provided additional insights into the binding mechanisms and structural characteristics of the formed complexes with the biomolecular targets. The Fmoc group enhances the dipeptide’s lipophilicity, which may facilitate its interaction with cellular membranes, supporting efficient drug delivery. A computational evaluation at the ωB97XD/aug-cc-pVDZ level of theory was carried out, confirming the experimental results and revealing a powerful potential of the peptide as an antioxidant, through FMOs, MEP analysis, and antioxidant mechanism assessments. Together, these findings suggest that this dipeptide could be valuable as an antimicrobial and antioxidant agent, with potential applications in pathologies involving oxidative stress, DNA modulation, and microbial infections. Full article

A prime role of biological membranes is to form barriers for material transport into and out of cells. Membranes consist of phospholipids with polar heads, which are presented to the aqueous solutions, and hydrophobic tails that form the membrane core. This construct prevents the permeation of hydrophilic, well-solvated molecules across the lipid hydrophobic barrier. The barrier is not absolute, and several approaches are available for efficient translocation. Channels and pumps enable selective and efficient transport across membranes. Another transport mechanism is passive permeation, in which permeants, without assistance, directly transport across membranes. Passive transport is coupled to transient defects in the membrane structure that make crossing the hydrophobic bilayer easier—for example, displacements of head groups from aqueous solution–membrane interface into the membrane core. The defects, in turn, are rare unless assisted by passively permeating molecules such as cell-penetrating peptides that distort the membrane structure. One possible defect is a phospholipid molecule with a head pointing to the hydrophobic core. This membrane distortion allows head group flipping from one layer to the other. We show computationally, using atomically detailed simulations and the Milestoning theory, that the presence of a cell-penetrating peptide in a membrane greatly increases phospholipid flip-flop rate and hence defect formation and the permeability of membranes. Full article

Proton exchange membrane water electrolyzers (PEMWEs) are a promising technology for green hydrogen production. However, the adoption of PEMWE-based hydrogen production systems remains limited due to several challenges, including high material costs, limited performance and durability, and difficulties in scaling the technology. Computational modeling serves as a powerful tool to address these challenges by optimizing system design, improving material performance, and reducing overall costs, thereby accelerating the commercial rollout of PEMWE technology. Despite this, conventional models often oversimplify key components, such as porous transport and catalyst layers, by assuming constant porosity and neglecting the spatial heterogeneity found in real electrodes. This simplification can significantly impact the accuracy of performance predictions and the overall efficiency of electrolyzers. This study develops a mathematical framework for modeling variable porosity distributions—including constant, linearly graded, and stepwise profiles—and derives analytical expressions for permeability, effective diffusivity, and electrical conductivity. These functions are integrated into a three-dimensional multi-domain COMSOL simulation to assess their impact on electrochemical performance and transport behavior. The results reveal that although porosity variations have minimal effect on polarization at low voltages, they significantly influence internal pressure, species distribution, and gas evacuation at higher loads. A notable finding is that reversing stepwise porosity—placing high porosity near the membrane rather than the channel—can alleviate oxygen accumulation and improve current density. A multi-factor comparison highlights this reversed configuration as the most favorable among the tested strategies. The proposed modeling approach effectively connects porous media theory and system-level electrochemical analysis, offering a flexible platform for the future design of porous electrodes in PEMWE and other energy conversion systems. Full article

Graphene oxide (GO) films have attracted significant attention due to their potential in separation and filtration applications. Based on their unique lamellar structure and ultrathin nature, GO films are difficult to maintain in a free-standing form and typically require substrate support. Consequently, understanding their film formation behavior and mechanisms on substrates is of paramount importance. This work employs commonly used nonwoven fibrous membranes as substrates and guided by the coffee-ring theory, systematically investigates the film formation behaviors, film morphology, and underlying mechanisms of GO films on fibrous membranes with varying wettability. Fibrous membranes with different wetting properties—hydrophilic, hydrophobic, and superhydrophobic—were prepared via electrospinning and initiated chemical vapor deposition (iCVD) surface modification techniques. The spreading behaviors, deposition dynamics, capillary effects, and evaporation-induced film formation mechanisms of GO suspensions on these substrates were thoroughly examined. The results showed that GO formed belt-like, ring-like, and circular patterns on the three fibrous membranes, respectively. GO films encapsulated more than the upper half, approximately the upper half, and the top portion of fibers, respectively. Pronounced wrinkling of GO films was observed except for those on the hydrophilic fibrous membrane. This work demonstrates that tuning the wettability of fibrous substrates enables precise control over GO film morphology, including fiber encapsulation, wrinkling, and coverage area. Furthermore, it deepens the understanding of the interactions between 1D nanofibers and 2D GO sheets at low-dimensional scales, laying a foundational basis for the optimized design of membrane engineering. Full article

Vestibular atelectasis (VA) is a rare clinical entity characterized by a collapse of the endolymphatic space resulting in vestibular loss with the possible onset of positional and/or sound/pressure-induced vertigo. It could be idiopathic or secondary to other inner-ear diseases including Meniere’s disease (MD). A collapse of the membranous labyrinth involving the semicircular canals (SCs) and the utricle represents its distinctive histopathological feature. While specific radiological patterns consistent with VA have been described on contrast-enhanced MRI with delayed acquisitions, an impairment of the blood–labyrinthine barrier (BLB) could be detected in several disorders leading to vestibular loss. We conducted a narrative review of the literature on VA focusing on the putative pathomechanisms accounting for positional and sound/pressure-induced nystagmus despite unilateral vestibular loss (UVL) in this condition, providing two novel cases of VA. Both patients presented with a clinical picture consistent with unilateral MD that rapidly turned into progressive UVL and positional and/or sound/pressure-induced vertigo. In both cases, the posterior SC was initially impaired at the video-head impulse test (vHIT) and both cervical and ocular VEMPs were initially reduced. Progressively, they developed unsteadiness with paretic spontaneous nystagmus, an impairment also for the lateral and anterior SCs, caloric hypo/areflexia and VEMPs areflexia. They both exhibited ipsilesional nystagmus to sound/pressure stimuli and in one case a persistent geotropic direction-changing positional nystagmus consistent with a “light cupula” mechanism involving the lateral SC of the affected side. A collapse of the membranous labyrinthine walls resulting in contact between the vestibular sensors and the stapes footplate could explain the onset of nystagmus to loud sounds and/or pressure changes despite no responses to high- and low-frequency inputs as detected by caloric irrigations, vHIT and VEMPs. On the other hand, the onset of positional nystagmus despite UVL could be explained with the theory of the “floating labyrinth”. Both patients received contrast-enhanced brain MRI with delayed acquisition exhibiting increased contrast uptake in the pars superior of the labyrinth, suggesting an impairment of the BLB likely resulting in secondary VA. A small intralabyrinthine schwannoma was detected in one case. VA should always be considered in case of positional and/or sound/pressure-induced vertigo despite UVL. Full article

Bacterial outer membrane vesicles (OMVs) are nanoscale extracellular structures produced by Gram-negative bacteria that are critical for microbial biology and host-pathogen interactions and have great potential in biotechnological applications. Despite the availability of fluorescent dyes for OMV studies, many are repurposed from eukaryotic extracellular vesicle research and are not explicitly optimized for OMVs, leading to challenges in achieving consistent labeling, minimizing background noise, and preserving vesicle integrity during analyses. This study evaluates B2, a benzimidazole-derived fluorophore, for OMV labeling in advanced techniques like flow cytometry and confocal microscopy. OMVs were isolated from Escherichia coli strains BL21 and O157, and their integrity was confirmed using transmission electron microscopy (TEM). B2 staining protocols were optimized for OMVs, and fluorescence analyses revealed specific interactions with the vesicle membranes, reducing aggregation and enhancing signal uniformity. Flow cytometry indicated near-complete labeling efficiency (98–100%) with minimal background interference. Confocal microscopy further validated B2’s effectiveness, showing evident OMV internalization into epithelial HT-29 cells and compatibility with other fluorophores. Density functional theory (DFT) calculations, including Fukui function analysis, identified key electrophilic and nucleophilic regions in B2 that facilitate specific hydrogen bonding and polar interactions with membrane components. Non-covalent interaction (NCI) analysis revealed pronounced intramolecular hydrogen bonding along with discrete regions of weak van der Waals interactions. Molecular dynamics simulations suggest that B2 exhibits an affinity for both the hydrophobic core of the lipid bilayer and the core oligosaccharide region of the LPS layer, which collectively ensures sustained retention of the dye. The findings presented in this study position B2 as a valuable fluorophore for OMV research. Full article

Ammonia (NH₃) represents a promising zero-emission fuel in hydrogen fuel cells. Membrane reactors for NH₃ decomposition based on Pd-alloys have demonstrated high NH₃ conversion, high hydrogen diffusivity, and high hydrogen selectivity, which allows for the production of high-purity H₂ without the need for gas separation or purification. However, it is observed that Pd-alloy membranes are to a various degree prone to H₂ flux inhibition in the presence of NH₃. Hence, finding proper means to tailor the surface adsorption properties through, e.g., alloying is imperative to further improve the technology. In the current work, hydrogen and ammonia co-adsorption phenomena on M(1 1 1) and Pd₃M(1 1 1) (M = Pd, Ru, Ag, Au, Cu) surfaces are studied using density functional theory calculations. It is shown that the surface adsorption properties are strongly dependent on the surface composition, which can be linked to the corresponding electronic structure at the membrane surface. Full article

Due to their higher strength-to-weight ratio and ability to operate in harsh environments, the usage of fiber-reinforced cylindrical shells experienced a significant increase in the past decades. The key novelty of this study lies in implementing dual analytical approaches to address the complex failure mechanisms and stress distributions in composites. Two distinct theoretical solutions were investigated, membrane theory and Mindlin–Reissner theory, for failure prediction in filament-wound structures, while uniquely providing a platform for easy comparison of theoretical approaches. Experimental data from different setups, materials, and winding angles were collected in the literature and compared using the developed online MECH-Gcomp software. Failure analysis was also carried out by applying five different failure criteria well-established for composite materials. The results from the Mindlin–Reissner theory showed 46.9% deviation and those for the membrane theory 36.2% deviation, considering more than 120 cases. Sobol sensitivity analysis identified pressure (P), transverse tensile strength, winding angle, and radius as the most influential parameters regarding the index of failure of composite cylinders. Full article