Search Results (3,448)

Magnesium alloy micro-arc oxidation (MAO) coatings are limited in biomedical applications due to their poor corrosion resistance. High-intensity pulsed ion beam (HIPIB) treatment enhances corrosion resistance as well as biocompatibility, but the underlying mechanisms are not well understood. In this study, CCK-8 assays, flow cytometry, and ALP activity tests were employed to investigate the bioactivity of the MAO coatings, and the surface properties of the coatings were characterized by SEM observation. Compared with pristine coating, the porosity of the MAO coating decreased by 9.44%, calcium content increased by 0.23%, and surface roughness and hydrophobicity increased to 7.57 and 102.11, respectively, with HIPIB irradiation. CCK-8 assays showed that the HIPIB-modified coating significantly improved cell proliferation, with a growth rate increase to 61.29% on Day 3. Flow cytometry analysis revealed accelerated cell cycle progression, especially a faster transition from the G1 to S and G2 phases, indicative of enhanced proliferation. Increased ALP activity further indicated that the irradiated coatings promoted osteogenic differentiation. The formed remelted dense layer with an increase in Ca content and high roughness induced by HIPIB irradiation not only acts as a corrosion barrier but also promotes the adhesion and differentiation of osteoblasts, which is mainly responsible for the enhancement of biological properties. Full article

The aim of present study is to deposit protective coatings with various surface chemical states on AZ91D Mg alloy. Hydrothermal bioactive ceramic coatings are performed with a surface modification by the chemical bonding of self-assembled monolayers (SAM). The electrochemical corrosion behaviors of various surface-coated AZ91D alloy within DMEM cell culture medium related to their surface chemical states are evaluated through microstructure observations, XPS surface chemical bonding analysis, static contact angles measurements, potentiodynamic polarization curves, and immersion tests. XRD and high resolution XPS of F 1s analysis results show that the hydrothermal FHA coating with a phase composition of Ca₁₀(PO₄)₆(OH)F can be effectively and uniformly deposited on the AZ91D alloy. FHA-coated AZ91D displays better anti-corrosion performances and lower degradation rates than those of uncoated AZ91D alloy in the DMEM solution. Through the high resolution XPS analysis of O 1s and P 2p spectra, it is demonstrated that 1-butylphosphonic acid (BP), 1 octylphosphonic acid (OP), and dodecylphosphonic acid (DP) molecules can be effectively bonded on the FHA surface by a covalent bond to form SAM. BP/OP/DP-SAM specimens display increased static contact angles to show a hydrophobic surface. It demonstrates that the SAM surface treatment can further enhance the corrosion resistance of FHA-coated AZ91D in the DMEM solution. After 2–16 days in vitro immersion tests in the DMEM, the surface SAM-bonded hydrophobic BP/OP/DP-SAM layers can effectively inhibit and reduce the penetration of DMEM into FHA coating. Long alkyl chains of the dodecylphosphonic acid (DP) SAM represents superior enhancing effects on the reduction of corrosion properties and weight loss. Full article

Oral administration remains the most patient-friendly drug delivery route, yet its efficacy is limited by physiological barriers including gastric degradation and inefficient cellular uptake. pH-responsive nanogels have shown promise for gastrointestinal drug delivery, though their effectiveness is often constrained by poor membrane interaction. Inspired by natural membrane-anchoring mechanisms, a series of comb-like anionic polymers were designed via grafting alkylamines of different chain lengths (C₁₀, C₁₄, C₁₈) at varying densities (10–30%) onto a biodegradable poly(L-lysine isophthalamide) (PLP) backbone. These pH-responsive comb-like polymers self-assembled into nanogels for loading the hydrophobic chemotherapeutic agent camptothecin. The alkyl length and grafting density significantly influenced pH-responsive behavior, membrane disruption, and drug release profiles. The optimal formulation—the nanogel prepared with PLP grafted 30% C₁₄—achieved a high drug-loading capacity, ideal particle size and stability, and offered superior protection in acidic conditions (only 7 ± 5% release at pH 1.2 over 24 h), while enabling rapid intestinal release (78 ± 2% at pH 7.4 within 24 h). The nanogels significantly enhanced cellular uptake, cytoplasmic delivery, and cytotoxicity against colorectal carcinoma cells. This study demonstrates the key role of hydrophobic modification in designing effective oral nanocarriers, providing a promising platform for the treatment of intestinal diseases. Full article

In this study, the insufficient ability of tartary buckwheat protein (TBP) to stabilize Pickering emulsions was addressed by preparing TBP–sodium alginate (SA) composite particles via cross-linking and systematic optimization of the preparation parameters. The results showed that at a pH of 9.0 with 1.0% (w/v) TBP and 0.2% (w/v) SA, the zeta potential of the prepared TBP–SA composite particles was significantly more negative, and the particle size was significantly larger, than those of TBP, while emulsifying activity index and emulsifying stability index increased to 53.76 m²/g and 78.78%, respectively. Scanning electron microscopy confirmed the formation of a dense network structure; differential scanning calorimetry revealed a thermal denaturation temperature of 83 °C. Fourier transform infrared spectroscopy and surface hydrophobicity results indicated that the complex was formed primarily through hydrogen bonding and hydrophobic interactions between TBP and SA, which induced conformational changes in the protein. The Pickering emulsion prepared with 5% (w/v) TBP–SA composite particles and 60% (φ) oil phase was stable during 4-month storage, at a high temperature of 75 °C, high salt conditions of 600 mM, and pH of 3.0–9.0. The stabilization mechanisms may involve: (1) strong electrostatic repulsion provided by the highly negative zeta potential; (2) steric hindrance and mechanical strength imparted by the dense interfacial network; and (3) restriction of droplet mobility due to SA-induced gelation. Full article

Chitin deacetylases (CDAs), which catalyze the deacetylation of chitin to produce chitosan, have garnered significant interest due to their environmental compatibility and ability to control product quality. However, the low conversion efficiency resulting from chitin’s high molecular weight and crystallinity, as well as structural limitations of CDAs, has impeded their industrial application. In this study, we present the integrated approach combining bioinformatics and computational tools (adaptive Poisson–Boltzmann solver, Fpocket, and ProteinPlus) to systematically analyze sequence features and variations in active pocket properties among CDAs from diverse origins. Experimental evaluation of the deacetylation activity of AnCDA, AsCDA, BaCDA, and ScCDA, each with distinct pocket characteristics, on chitin substrates with varying molecular parameters revealed that CDAs with high hydrophobicity scores and low surface-to-volume ratios exhibited superior efficiency in converting high-molecular-weight chitin. These findings guide the rational selection and engineering of CDAs for industrial biocatalysis. Full article

Polymer-based product usage in modern society is increasing day by day. Following usage, these inert products and hydrophobic materials contribute to environmental pollution, often accumulating as litter in ecosystems and contaminating water bodies. The rapid socio-economic development in the Kingdom of Saudi Arabia (KSA) has resulted in a significant increase in waste generation. This study was conducted on the utilization of recycled plastic waste (RPW) polymer along with commercial polymer (CP) for the modification of the local binder. The hot environmental conditions and increased traffic loading are the major reasons for the permanent deformation and thermal cracks on the pavements, which require improved and modified road performance materials. The Ministry of Transport and Logistical Support (MOTLS) in Saudi Arabia, along with other related agencies, spends a substantial amount of money each year on importing modifiers, including chemicals, hydrocarbons, and polymers, for modification purposes. This research was conducted to investigate and utilize available local recycled plastic materials. Comprehensive laboratory experiments were designed and carried out to enhance recycled plastic waste, including low-density polyethylene (rLDPE), high-density polyethylene (rHDPE), and polypropylene (rPP), combined with varying percentages of commercially available polymers such as Styrene-Butadiene-Styrene (SBS) and Polybilt (PB). The results indicated that incorporating recycled plastic waste expanded the binder’s susceptible temperature range from 64 °C to 70 °C, 76 °C, and 82 °C. The resistance to rutting was shown to have significantly improved by the dynamic shear rheometer (DSR) examination. Achieving the objectives of this research, combined with the intangible environmental benefits of utilizing plastic waste, provides a sustainable pavement development option that is also environmentally beneficial. Full article

Background: Neglected tropical diseases (NTDs) significantly impact global health, particularly affecting impoverished communities. Among these diseases, leishmaniasis, caused by protozoan parasites of the genus Leishmania and transmitted through sandfly vectors, remains a challenge due to limited therapeutic options. Current treatments often suffer from significant limitations, such as high toxicity, limited efficacy, and the emergence of drug resistance. Objectives: This study investigates the potential antileishmanial mechanism of action of nitroindazole derivatives, specifically evaluating the compound VATR131, a molecule with notable selectivity and potency against Leishmania infantum. Methods: We employed computational methodologies, including target fishing, molecular docking, and atomistic molecular dynamics simulations, to identify and characterize potential molecular targets of VATR131. Results: The analysis revealed cysteine peptidase A as a promising target potentially mediating the antileishmanial activity of VATR131. Molecular dynamics simulations suggest critical hydrophobic interactions and hydrogen bonds between the compound and its most likely receptor, thus offering deeper insights into its potential mechanism of action. Conclusions: These findings contribute to the development of novel and effective therapies for leishmaniasis, highlighting the need for experimental validation and continued investigation of nitroindazole derivatives as promising therapeutic candidates. Full article

In this paper, silver oxide (AgO) and copper oxide (CuO) coatings are placed on a single sputtering target with the direct-current magnetron sputtering (DCMS) and high-power impulse magnetron sputtering (HIPIMS) methods. All the tested coatings are obtained in a reactive process using a metallic target made by the Kurt Lesker company. The investigated coatings are deposited at room temperature on substrates made of pure iron (ARMCO) and polypropylene (PP) without substrate polarization. The deposition time for all the coatings is the same. The results of SEM and TEM investigations clearly show that using the HIPIMS method for the deposition of AgO and CuO coatings reduces their thickness and increases their structure density. Coatings produced with the HIPIMS method are characterized by a higher hardness and Young’s modulus. The value of hardness for AgO and CuO coatings deposited by the HIPIMS method is around 50% higher for AgO coatings and around 24% higher for CuO coatings compared to the coatings obtained by the DC method. This is also true of Young’s modulus values, which are around 30% higher for AgO coatings and 15% higher for CuO coatings produced by the HIPIMS method compared to those of coatings obtained with the DC method. AgO and CuO coatings deposited with both the methods (HIPIMS and DCMS) showed 100% reduction in the viability of two reference laboratory bacteria strains—Escherichia coli (Gram−) and Staphylococcus aureus (Gram+)—on both types of substrates. Additionally, these coatings are characterized by their hydrophobic properties, which means that they can create a protective barrier, making it difficult for bacteria to stick to the surface, limiting their development and preventing the phenomenon of biofouling. The HIPIMS technology allows for the deposition of coatings with better mechanical properties than those produced with the DCMS method, which means that they are more resistant to brittle fractures and wear and have very good antimicrobial properties. Full article

A new sensor system for the determination of nitrogen-containing pharmaceutical substances has been proposed. It is based on the use of an ion association complex formed between cationic polyacrylamide (CPAA) and sulfonephthalein dye as a reagent. Bromocresol purple (BCP) interacts with CPAA to form a complex through hydrophobic interaction as well as electrostatic interaction. In the pH range from 3.5 to 5.5, this leads to an increase in the intensity of the dianionic form BCP band at 590 nm. The interaction between the polymer and the dye leads to an increase in the acidic properties of BCP, causing its pK_a2 to shift from 6.3 to 3.75. Subsequently, when loratadine (LOR) is added to the CPAA/BCP system, the strong electrostatic interaction between the BCP monoanion and the protonated form of LOR leads to a decrease in the intensity of the band at 590 nm and an increase in the absorbance of the band at 432 nm, which is related to the dye monoanion. Here, we have demonstrated that this facile methodology can enable the rapid, reliable, and selective determination of LOR with a detection limit of 1.6 mg L⁻¹ and a linear range from 5.0 to 120 mg L⁻¹. The environmental friendliness of the developed method was assessed using the AGREE metric and is characterized by a high score of 0.83. The developed method represents a new approach to the creation of extraction-free spectrophotometric methods based on ionic associates of anionic dyes with protonated forms of nitrogen-containing medicinal compounds. The method was successfully applied to the determination of LOR in pharmaceutical preparations with satisfactory precision and accuracy. Overall, the results obtained indicate that this method has great potential for application in pharmaceutical analysis. Full article

This study addresses the absence of maximum residue limits (MRLs) for tebuconazole and trifloxystrobin in edible rose petals in China by systematically evaluating the residue behavior and dietary exposure risks of these fungicides. An analytical method based on QuEChERS sample preparation coupled with UPLC–MS/MS was developed for the simultaneous determination of tebuconazole, trifloxystrobin, and its metabolite CGA321113 in fresh and dried rose petals. Field trials under the highest application conditions (184 g a.i./hm², applied twice) were conducted to investigate residue dissipation dynamics, storage stability, processing concentration effects, and transfer behavior during brewing. Results indicated that the target compounds remained stable in rose petals for 12 months at –20 °C ± 2 °C. The drying process significantly concentrated residues due to the hydrophobic nature of the compounds, with enrichment factors ranging from 3.0 to 3.9. Brewing tests further confirmed low transfer rates of tebuconazole, trifloxystrobin, and CGA321113 into the infusion, consistent with their low water solubility and high log K_ow values. Residue dissipation followed first-order kinetics, with half-lives of 1.9–2.9 days for tebuconazole and 1.2–2.7 days for trifloxystrobin. Dietary risk assessment showed an acceptable risk for trifloxystrobin (RQ = 22.7%) but a high risk for tebuconazole (RQ = 175.1%). It is recommended to set the MRL for both tebuconazole and trifloxystrobin in edible roses at 15.0 mg/kg. This standard ensures consumer safety while accommodating agricultural needs and aligns with international regulations. For the high-risk pesticide tebuconazole, measures such as optimizing application strategies and promoting integrated management should be implemented to mitigate residue risks. Full article

Microcellular thermoplastic polyurethane (TPU) foams with dynamic covalent bonds demonstrating exceptional self-healing capabilities, coupled with precisely controlled micron-scale cellular architectures, present a promising solution for developing advanced materials that simultaneously achieve damage recovery and low density. In this study, a series of self-healable materials (named as PU-S) with high light transmittance possessing two dynamic covalent bonds (oxime bond and disulfide bond) in different ratios were fabricated by the one-pot method, and then the prepared PU-S were foamed utilizing the green and efficient supercritical carbon dioxide (scCO₂) foaming technology. The PU-S foams possess multiple dynamic covalent bonds as well as porous structures, and the effect of the dynamic covalent bonds endows the materials with excellent self-healing properties and recyclability. Owing to the tailored design of dynamic covalent bonding synergies and micron-sized porous structures, PU-S₅ exhibits hydrophobicity (97.5° water contact angle), low temperature flexibility (T_g = −30.1 °C), high light transmission (70.6%), and light weight (density of 0.12 g/cm³) together with high expansion ratio (~10 folds) after scCO₂ foaming. Furthermore, PU-S₅ achieves damage recovery under mild thermal conditions (60 °C). Accordingly, self-healing PU-S based on multiple dynamic covalent bonds will realize a wide range of potential applications in biomedical, new energy automotive, and wearable devices. Full article

Protein-based emulsion gels and bigels serve as ideal delivery systems owing to their distinctive structural properties, high encapsulation efficiency, and adjustable digestive behavior. However, limited research has examined the differences between emulsion gels and bigels as polyphenol delivery systems. In this study, oil-in-water (O/W)-type emulsion gels formulated with soy protein isolate (SPI) and κ-carrageenan (κ-CG) were fabricated using a cold-set gelation method, and then the bigels were prepared through further oil gelation by the addition of glycerol monostearate (GMS). Both SPI-κ-CG emulsion gels and bigels were mainly stabilized by electrostatic and hydrophobic interactions, exhibiting high gel strength, varying from 940 g to 1304 g, and high water holding capacity (~84%). Both the SPI-κ-CG emulsion gels and bigels demonstrated high curcumin encapsulation efficiency, reaching 98~99%. Stability testing revealed that bigels prepared with 15% and 20% GMS exhibited the highest curcumin retention ratios, with a value of around 78% after storage for 21 days at 25 °C, suggesting that denser network structures more effectively prevent the degradation of the encapsulated compound. During the in vitro simulated gastric digestion, higher GMS content significantly delayed curcumin release by over 7%. Increasing GMS concentration from 0% to 20% elevated lipolysis by over 8% and concurrently improved the release of curcumin by more than 18% during the in vitro simulated intestinal digestion. This study provides comparative insights into polyphenol delivery performance between emulsion gels and bigels, offering valuable guidance for developing functional foods based on gel delivery systems. Full article

This study presents the production, characterization, and potential pharmaceutical application of a bioemulsifier synthesized by Aspergillus niger UCP 1064 by submerged fermentation using agro-industrial residues (cassava wastewater and soluble starch). The compound exhibited a high emulsification index (EI₂₄ > 88%) against hydrophobic substrates, effectively reduced surface tension, and remained stable across a wide range of pH (2–12), temperatures (5–100 °C), and salinity levels (0–20% NaCl). Microscopic analysis confirmed the formation of stable oil-in-water (O/W) emulsions, while biochemical tests identified the compound as a glycolipoprotein. Rheological assays demonstrated a significant reduction in oil viscosity, enhancing fluidity. Through factorial design and response surface methodology, production conditions were optimized, achieving yields of up to 3.18 g/L. A theoretical scale-up indicated technical feasibility for pharmaceutical applications; however, challenges such as process reproducibility, sterility, and regulatory compliance persist. These findings highlight the bioemulsifier’s potential as a sustainable and biocompatible alternative for drug delivery systems. Full article

Pea protein yogurt (PPY), as an alternative to traditional dairy yoghurt, has the advantages of being a green raw material, lactose cholesterol-free, and adaptable to the needs of lactose-intolerant people. PPY was prepared by fermenting a mixture of pea protein and water (1:10, w/v) supplemented with 5% fructose for 10 h after heat sterilisation. During fermentation, lactic acid bacteria metabolise pea protein to produce aldehydes and other aromatic compounds, imparting a unique sweet–sour balance and mellow flavour. However, issues such as weak gel formation and prominent soybean-like off-flavours severely restrict the development and consumer acceptance of PPY. In this study, five fermentation systems were systematically investigated to elucidate the fermentation mechanisms of pea yoghurt and explore effective methods for eliminating undesirable soy flavours. The results indicated that hydrophobic interactions and disulfide bonds are the predominant forces driving gel formation in PPY. Additionally, the protein content increased by 0.81 g/100 g following fermentation. A total of 43 volatile flavour compounds—including aldehydes, alcohols, acids, ketones, and furans—were identified, among which the concentrations of hexanal and 2-pentylfuran, known markers for soybean off-flavour, significantly decreased. Furthermore, high-temperature and high-pressure treatments (121 °C, 3 min) demonstrated superior effectiveness in reducing soybean-like flavours. Although the high-temperature and high-pressure treatment, double-enzyme hydrolysis, and flavour-masking methods operate through distinct mechanisms, their flavour profiles converged, displaying substantial deodorisation effects and synergistic interactions. These findings provide a theoretical basis and processing parameters for flavour modulation in PPY; however, further formulation optimisation is required to enhance its nutritional and textural properties. PPY shows promise as a potential alternative to conventional dairy products in the future. Full article

Dopamine D2-like receptors, including D2, D3, and D4, are members of the aminergic G protein-coupled receptor (GPCR) family and are targets for neurological disorders. The development of subtype selective ligands is important for enhanced therapeutics and reduced side effects; however, it is challenging to design and develop selective ligands owing to the high degree of sequence homology among D2-like subtypes. To gain insight into the structural basis of subtype selectivity of piperazinylalkyl pyrazole/isoxazole analogs for D2-like dopamine receptors, we carried out 3D quantitative structure–activity relationship (3D-QSAR) and molecular docking studies. The 3D-QSAR models for the D2, D3, and D4 subtypes showed robust correlation coefficients (r²) of 0.960, 0.912, and 0.946, as well as reliable predictive values (Q²) of 0.511, 0.808, and 0.560, respectively. Contour map analysis revealed key structural determinants for ligand activity, highlighting the distinct steric and electrostatic requirements for each subtype. These findings were further rationalized by molecular docking studies, which confirmed that interactions with non-conserved residues modulate binding affinity. Crucially, our analysis identified a critical structural basis for D4 subtype selectivity. This selectivity is attributed to a spatial constraint within the hydrophobic pocket formed by TMs 3, 5, and 6. This constraint restricts the orientation of bulky substituents on the 4-phenylpiperazine moiety. These findings provide actionable structural insights for the rational design of next-generation subtype-selective antagonists for D2-like dopamine receptors. Full article