Search Results (122)

Protein–polyelectrolyte nanostructures assembled via electrostatic interactions offer versatile applications in biomedicine, tissue engineering, and food science. However, several open questions remain regarding their intermolecular interactions and the influence of external conditions—such as temperature and pH—on their assembly, stability, and responsiveness. This study explores the formation and stability of networks between poly(acrylic acid) (PAA) and lysozyme (LYZ) at the nanoscale upon thermal treatment, using a combination of experimental and simulation measures. Experimental techniques of static and dynamic light scattering (SLS and DLS), Fourier transform infrared spectroscopy (FTIR), and circular dichroism (CD) are combined with all-atom molecular dynamics simulations. Model systems consisting of multiple PAA and LYZ molecules explore collective assembly and complexation in aqueous solution. Experimental results indicate that electrostatic complexation occurs between PAA and LYZ at pH values below LYZ’s isoelectric point. This leads to the formation of nanoparticles (NPs) with radii ranging from 100 to 200 nm, most pronounced at a PAA/LYZ mass ratio of 0.1. These complexes disassemble at pH 12, where both LYZ and PAA are negatively charged. However, when complexes are thermally treated (TT), they remain stable, which is consistent with earlier findings. Atomistic simulations demonstrate that thermal treatment induces partially reversible structural changes, revealing key microscopic features involved in the stabilization of the formed network. Although electrostatic interactions dominate under all pH and temperature conditions, thermally induced conformational changes reorganize the binding pattern, resulting in an increased number of contacts between LYZ and PAA upon thermal treatment. The altered hydration associated with conformational rearrangements emerges as a key contributor to the stability of the thermally treated complexes, particularly under conditions of strong electrostatic repulsion at pH 12. Moreover, enhanced polymer chain associations within the network are observed, which play a crucial role in complex stabilization. These insights contribute to the rational design of protein–polyelectrolyte materials, revealing the origins of association under thermally induced structural rearrangements. Full article

Films of functionalised multiwalled carbon nanotubes (MWCNTs) were fabricated as interlayers (interfacial layers between the cathode and separator) in a lithium–sulfur battery (LSB). Phenylsulfonate functionalisation of commercial MWCNTs was achieved via diazotisation to attach lithium phenylsulfonate groups and was characterised by IR and XPS spectroscopies. SEM-EDX showed sulfur and oxygen colocations due to the sulfonate groups on the interlayer surface. However, CHNS elemental microstudies showed a low degree of functionalisation. Without an interlayer, the LSB produced stable cycling at a capacity of 600 mA h g⁻¹_sulfur at 0.05 C for 40 cycles. Using an unfunctionalised interlayer as a control gave a capacity of 1400 mA h g⁻¹_sulfur for the first cycle but rapidly decayed to the same 600 mA h g⁻¹_sulfur at the 40th cycle at 0.05 C, suggesting a high degree of polysulfide shuttling. Adding a lithium phenylsulfonated interlayer gave an initial capacity increase to 1100 mA h g⁻¹_sulfur that lowered to 800 mA h g⁻¹_sulfur at 0.05 C by the 40th cycle, showing an increase in charge storage (33%) relative to the other cells. This performance increase has been attributed to lessened polysulfide shuttling due to repulsion by the phenylsulfonate groups, increased conductivity at the separator-cathode interface and an increase in surface area. Full article

Membrane fouling poses a significant challenge in the widespread adoption and cost-effective operation of membrane technology. Among different strategies to mitigate fouling, dynamic membrane (DM) technology has emerged as a promising one for effective control and mitigation of membrane fouling. Silicon carbide (SiC) membranes have attracted considerable attention as membrane materials due to their remarkable advantages, yet membrane fouling is still inevitable in challenging separation tasks, such as oil-in-water (O/W) emulsion separation, and thus effective mitigation of membrane fouling is essential to maximize their economic viability. This study investigates the use of pre-deposited oxide DMs to mitigate the fouling of SiC membranes during the separation of O/W emulsions. Among five screened oxides (Fe₂O₃, SiO₂, TiO₂, ZrO₂, Al₂O₃), SiO₂ emerged as the most effective DM material due to its favorable combination of particle size, negative surface charge, hydrophilicity, and underwater oleophobicity, leading to minimized oil droplet adhesion via electrostatic repulsion to DM surfaces and enhanced antifouling performance. Parameter optimization in dead-end mode revealed a DM deposition amount of 300 g/m², a transmembrane pressure (TMP) of 0.25 bar, and a backwashing pressure of 2 bar as ideal conditions, achieving stable oil rejection (~93%) and high pure water flux recovery ratios (FRR, >90%). Cross-flow filtration outperformed dead-end mode, maintaining normalized permeate fluxes of ~0.4–0.5 (cf. ~0.2 in dead-end) and slower FRR decline, attributed to reduced concentration polarization and enhanced DM stability under tangential flow. Optimal cross-flow conditions included a DM preparation time of 20 min, a TMP of 0.25 bar, and a flow velocity of 0.34 m/s. The results establish SiO₂-based DMs as a cost-effective strategy to enhance SiC membrane longevity and efficiency in O/W emulsion separation. Full article

The development of eco-friendly surfactants is pivotal for enhanced oil recovery (EOR). In this study, a novel lignin-derived zwitterionic surfactant (DMS) was synthesized through a two-step chemical process involving esterification and free radical polymerization, utilizing renewable alkali lignin, maleic anhydride, dimethylamino propyl methacrylamide (DMAPMA), and sulfobetaine methacrylate (SBMA) as precursors. Comprehensive characterization via ¹H NMR, FTIR, and XPS validated the successful integration of amphiphilic functionalities. Hydrophilic–lipophilic balance (HLB) analysis showed a strong tendency to form stable oil-in-water (O/W) emulsions. The experimental results showed a remarkable 91.6% viscosity reduction in Xinjiang heavy crude oil emulsions at an optimum dosage of 1000 mg/L. Notably, DMS retained an 84.8% viscosity reduction efficiency under hypersaline conditions (total dissolved solids, TDS = 200,460 mg/L), demonstrating exceptional salt tolerance. Mechanistic insights derived from zeta potential measurements and molecular dynamics simulations revealed dual functionalities: interfacial modification by DMS-induced O/W phase inversion and electrostatic repulsion (zeta potential: −30.89 mV) stabilized the emulsion while disrupting π–π interactions between asphaltenes and resins, thereby mitigating macromolecular aggregation in the oil phase. As a green, bio-based viscosity suppressor, DMS exhibits significant potential for heavy oil recovery in high-salinity reservoirs, addressing the persistent challenge of salinity-induced inefficacy in conventional chemical solutions and offering a sustainable pathway for enhanced oil recovery. Full article

New 3D printing aerogel materials are environmentally friendly and could be used in environmental protection and biomedical fields. There is significant research interest in 3D printing cellulose-based aerogels since cellulose materials are biocompatible and are abundant in nature. The gel-like nature of the cellulose water suspension is suitable for 3D printing; however, the complexity and resolution of the geometry of aerogels are quite limited, mainly due to the inks’ low viscosity that fails to maintain the integrity of the shape after printing. To address this limitation, a carefully optimized formulation incorporating three key ingredients, i.e., nanofibrils (TEMPO-CNFs), 2,2,6,6-tetramethyl-1-piperidinyloxy modified cellulose nanocrystals (TEMPO-CNC), and sodium carboxymethyl cellulose (CMC), is utilized to enhance the viscosity and structural stability of the ink. This combination of cellulose derivatives utilizes the electrostatic repulsive forces between the negatively charged components to form a stable and uniformly distributed suspension of cellulose materials. Our ink formulations improve printability and shape retention during 3D printing and are optimal for DIW printing. We print by employing an all cellulose-based composite ink using a modified direct ink writing (DIW) 3D printing method, plus an in situ freezing stage to form a layer-by-layer structure, and then follow a freeze-drying process to obtain the well-aligned aerogels. We have investigated the rheological properties of the ink formulation by varying the concentration of these three cellulose materials. The obtained aerogels exhibit highly ordered microstructures in which the micropores are well-aligned along the freezing direction. This study demonstrates a strategy for overcoming the challenges of 3D printing cellulose-based aerogels by formulating a stable composite ink, optimizing its rheological properties, and employing a modified DIW printing process with in situ freezing, resulting in highly ordered, structurally robust aerogels with aligned microporous architectures. Full article

When multiple unmanned aerial vehicles (UAVs) form a cluster, their flight process is divided into two phases. The first phase is the cruising stage, during which UAVs move from random positions toward the target, gradually forming a spherical topology. In the initial cruising phase, to address the oscillation phenomenon in traditional sliding mode control, we propose a new reaching law to overcome the typical residual oscillations present in conventional reaching laws, called the Control Law for Residual Chattering Oscillation Elimination (CL-RCO). Based on this proposed new law, we have designed an artificial potential field-based sliding mode formation controller for UAVs to manage the formation control of UAVs. The second stage is the clustering phase, which focuses on overcoming oscillations to establish a stable topology. In this phase, we design a controller that combines artificial potential fields with variable repulsion coefficients and backstepping control. This method addresses the persistent residual oscillations in formations maintained solely by artificial potential fields during the clustering phase. Lyapunov stability analysis is employed to confirm the feasibility of the designed controller. Eventually, numerical simulations and comparative analyses are performed, successfully demonstrating the proposed method’s effectiveness. Full article

Superhydrophobic surfaces are critical in the marine industry because ships and underwater vehicles are constantly exposed to hydrodynamic friction and biofouling during operation, which can negatively affect their efficiency and increase operating costs. To address these challenges, this study proposes a straightforward method for fabricating stable superhydrophobic surfaces. By modifying nano-copper oxide on a microstructure substrate, a coating exhibiting exceptional hydrophobicity, designated as 100-SHB, was successfully developed. The 100-SHB has a water contact angle of about 163.0° and a sliding angle of about 2.0°, which is highly repulsive to water droplet impact. Furthermore, 100-SHB maintained its superhydrophobic properties under rigorous testing, including water puncture resistance, sandpaper abrasion, and ultrasonic damage tests. The incorporation of a lithography-based network structure further enhanced the mechanical stability of the surface, highlighting its robustness. In ship model experiments, the surface demonstrated a remarkable drag reduction rate of 64.2%. This environmentally friendly, simple, and scalable fabrication method represents a significant advancement toward practical implementation in the marine industry and holds promise for expanding applications in non-wetting-related fields. Full article

Hydrogels are promising materials for biomedical applications due to their tunable properties. Despite significant research on optimizing the mechanical and rheological properties of chitosan hydrogels, a comprehensive analysis incorporating pH and molarity of the neutralizing solution is still lacking. This study addresses this gap by evaluating how these factors influence the rheological characteristics of chitosan hydrogels. The hydrogels were prepared using an acidic blend and were neutralized with sodium hydroxide solutions. Rheological characterization demonstrated that all samples exhibited pseudoplastic behavior, with viscosity decreasing under shear stress. Hydrogels with higher pH values exhibited lower viscosity, which is attributed to the reduced protonation and weaker electrostatic repulsion between chitosan chains. In contrast, more acidic conditions resulted in increased viscosity and greater chain entanglements. NaOH concentration impacted gel stability; lower concentrations resulted in more stable gels, whereas higher concentrations increased crosslinking but compromised integrity at elevated pH. These findings provide essential insights for optimizing chitosan hydrogels with customized properties, making them highly suitable for specific biomedical applications, such as advanced 3D-printed wound dressings. Full article

The chemical mechanical polishing/planarization (CMP) is essential for achieving the desired surface quality and planarity required for subsequent layers and processing steps. However, the aggregation of slurry particles caused by abrasive materials can lead to scratches, defects, increased surface roughness, degradation the quality and durability of the finished surface after milling processes during the CMP process. In this study, ceria slurry was prepared using polymer dispersant with zinc salt of ethylene acrylic acid (EAA) copolymer at different contents of 5, 6, and 7 wt% (denoted as D5, D6, and D7) to minimize particle aggregation commonly observed in CMP slurries. Among them, the D7 sample exhibited smaller particle sizes compared to commercial ceria slurry, which was attributed to the influence of the carboxyl groups (-COOH) of the polyacrylic acid polymer coating the ceria particles. It is believed that the polymer dispersant more effectively adsorbs onto the particle surfaces, increasing electrostatic repulsion between particles and thereby reducing particle size. Furthermore, the stability of the prepared slurry was evaluated under extreme conditions over three months at 25 °C (both open and closed conditions), 4 °C, and 60 °C. The D7 slurry remained stable with no significant changes observed. In addition, the prepared D7 ceria slurry exhibited a slightly higher removal rate (RR) and better uniformity, which can be attributed to the smaller particle sizes of the ceria nanoparticles compared to those in the commercial slurry. This suggests that the colloidal stability of the D7 ceria slurry is superior to that of the commercial ceria slurry. Full article

Nanochitin was developed to effectively utilize crab shells, a food waste product, and there is ongoing research into its applications. Short nanowhiskers were produced by sonicating partially deacetylated nanochitin in water, resulting in a significant decrease in viscosity due to reduced entanglement of the nanowhiskers. These nanowhiskers self-assembled into a multilayered film through an evaporation technique. The macro- and nanoscale structures within the film manipulate light, producing vibrant and durable structural colors. The dried cast film exhibited green and purple stripes extending from the center to the edge formed by interference effects from the multilayer structure and thickness variations. Preserving structural colors requires maintaining a low ionic strength in the dispersion, as a higher ionic strength reduces electrostatic repulsion between nanofibers, increasing viscosity and potentially leading to the fading of color. This material’s sensitivity to environmental changes, combined with chitin’s biocompatibility, makes it well-suited for food sensors, wherein it can visually indicate freshness or spoilage. Furthermore, chitin’s stable and non-toxic properties offer a sustainable alternative to traditional dyes in cosmetics, delivering vivid and long-lasting color. Full article

Indium phosphide (InP) is an excellent material used in space electronic devices due to its direct band gap, high electron mobility, and high radiation resistance. Displacement damage in InP, such as vacancies, interstitials, and clusters, induced by cosmic particles can lead to the serious degradation of InP devices. In this work, the analytical bond order potential of InP is modified with the short-range repulsive potential, and the hybrid potential is verified for its reliability to simulate the atomic cascade collisions. By using molecular dynamics simulations with the modified potential, the primary damage defects evolution of InP caused by 1–10 keV primary knock-on atoms (PKAs) are studied. The effects of electronic energy loss are also considered in our research. The results show that the addition of electronic stopping loss reduces the number of point defects and weakens the damage regions. The reduction rates of point defects caused by electronic energy loss at the stable state are 32.2% and 27.4% for 10 keV In-PKA and P-PKA, respectively. In addition, the effects of electronic energy loss can lead to an extreme decline in the number of medium clusters, cause large clusters to vanish, and make the small clusters dominant damage products in InP. These findings are helpful to explain the radiation-induced damage mechanism of InP and expand the application of InP devices. Full article

A lanthanum–cerium-based abrasive composed of CeO₂, LaOF, and LaF₃ was commercially obtained. The effect of sodium hexametaphosphate (SHMP) on powder dispersion behavior was systematically investigated using the combined techniques of liquid contact angle, turbidity, zeta potential (ZP), scanning electron microscopy (SEM), powder X-ray diffraction (XRD) combined with Rietveld refinements, X-ray photoelectron spectroscopy (XPS), and polishing tests. The results indicated that the addition of 0.5 wt.% SHMP dispersant to the 5 wt.% lanthanum–cerium-based slurry produced the most stable suspension with a high turbidity of 2715 NTU and a low wetting angle of 45°. The as-obtained slurry displayed good surface polishing quality for K9 glass, with low surface roughness (Ra) of 0.642 and 0.515 nm (in the range of 979 × 979 μm²) at pH = 6 and 11, respectively, which corresponds to the fact that it has local maximum absolute values of ZP at these two pH values. SEM images demonstrated that after appropriate grafting of SHMP, the particle aggregation was reduced and the slurry’s dispersion stability was improved. In addition, the dispersion mechanism was explained based on the principle of complexation reaction, which reveals that the dispersant SHMP can increase the interparticle steric hindrance and electrostatic repulsions. In an acidic environment, steric hindrance dominates, while electrostatic repulsion prevails under alkaline conditions. As expected, this polishing slurry may find potential applications in manufacturing optical devices and integrated circuits. Full article

One of the most pressing issues in livestock farming is the protection of economically valuable livestock. The prevention and the treatment of infectious diseases are directly related to maintaining stable livestock output. Vermin is a primary source of livestock infection, resulting in the occurrence and expansion of epidemic diseases. To protect livestock against infections caused by epidemic diseases, this study proposes a vermin repulsion system called the Miyazaki Vermin Repulsion Robot (MiVeReR). Different from existing vermin repulsion systems, the development objective of MiVeReR is to repel vermin rather than kill them. In particular, MiVeReR generates changeable acousto-optic signals as repulsion signals for wild animals. Furthermore, MiVeReR employs image data to monitor the invasion of wild animals and their location data to track them, and accurately focuses the generated signals on them. These acousto-optic stimuli can be changed based on the reactions of the intruder through the feedback of the image data to ensure the effectiveness of the repulsion motions for vermin. Details on the hardware configuration of MiVeReR and its control scheme are explained. As a first step to develop MiVeReR, we attempted to repel vermin such as mice and wild cats from farm environments. Extensive experiments were conducted to verify the effectiveness of MiVeReR and the proposed control solution. Through experiments in wild environments, the feasibility of MiVeReR was inspected. The results of this study are concretely described. Full article

Glycosaminoglycans (GAGs) play a key role in a variety of biological processes in the extracellular matrix (ECM) via interactions with their protein targets. Due to their high flexibility, periodicity and electrostatics-driven interactions, GAG-containing complexes are very challenging to characterize both experimentally and in silico. In this study, we, for the first time, systematically analyzed the interactions of endostatin, a proteolytic fragment of collagen XVIII known to be anti-angiogenic and anti-tumoral, with heparin (HP) and representative heparan sulfate (HS) oligosaccharides of various lengths, sequences and sulfation patterns. We first used conventional molecular docking and a docking approach based on a repulsive scaling–replica exchange molecular dynamics technique, as well as unbiased molecular dynamic simulations, to obtain dynamically stable GAG binding poses. Then, the corresponding free energies of binding were calculated and the amino acid residues that contribute the most to GAG binding were identified. We also investigated the potential influence of Zn²⁺ on endostatin–HP complexes using computational approaches. These data provide new atomistic details of the molecular mechanism of HP’s binding to endostatin, which will contribute to a better understanding of its interplay with proteoglycans at the cell surface and in the extracellular matrix. Full article

Enteroviruses (EVs and RVs) are prevalent worldwide and cause various diseases in humans, of which the VP1-pocket is a target of antivirals, with a lipid molecule as a pocket factor to stabilize the virion. However, the characterization of the structure of the VP1-pocket in EVs is poor. Here, we compared the published capsid crystals of EVs and RVs and proposed a structural framework for the VP1-pocket: Frame 1–4, which is located at the CD loop, GH loop, and C-terminus, presenting with an outward opening appearance or not. The non-outward viral strains—CVB3, Echo 11, RV-A81, and RV-B70—are more thermally stable, with a breakpoint temperature (B.T.) of 51~62 °C for genome releasing, which is 4~10 °C higher than its outward temperature of 41~47 °C, and infectivity preservation when treated at 50 °C for 3 min. Its outward versus non-outward opening is correlated significantly with the B.T. for genome release (r = −0.90; p = 0.0004) and infectivity (r = −0.82, p = 0.0039). The energy of Frames 1, 2, and 4, including Van der Waals attractive and repulsive interactions and hydrogen bonds, showed significant correlations with the B.T. (r = −0.67, 0.75, and −0.8; p = 0.034, 0.013, and 0.006, respectively). These characters of the VP1-pocket could be predictors for virion thermostability and aid in the development of vaccines or antivirals. Full article