Search Results (14,861)

Viperid snake venoms are notably abundant in metalloproteinases (proteins) (SVMPs), which are primarily responsible for inducing hemorrhage and disrupting the hemostatic process and tissue integrity in envenomed victims. In this study, barnettlysin-III (Bar-III), a hemorrhagic P-III SVMP, was purified from the venom of the Peruvian snake Bothrops barnetti. Bar-III has a molecular mass of approximately 50 kDa and is a glycosylation-dependent functional metalloproteinase. Some biochemical properties of Bar-III, including the full amino acid sequence deduced from its cDNA, are reported. Its enzymatic activity is increased by Ca²⁺ ions and inhibited by an excess of Zn²⁺. Synthetic metalloproteinase inhibitors and EDTA also inhibit its proteolytic action. Bar-III degrades several plasma and ECM proteins, including fibrin(ogen), fibronectin, laminin, and nidogen. Platelets play a key role in hemostasis and thrombosis and in other biological process, such as inflammation and immunity, and platelet activation is driven by the platelet signaling receptors, glycoprotein (GP)Ib-IX-V, which binds vWF, and GPVI, which binds collagen. Moreover, Bar-III inhibits vWF- and convulxin-induced platelet aggregation in human washed platelets by cleaving the recombinant A1 domain of vWF and GPVI into a soluble ectodomain fraction of ~55 kDa (sGPVI). Bar-III does not reduce the viability of cultured endothelial cells; however, it interferes with the adhesion of these cells to fibronectin, vitronectin, and RGD peptides, as well as their migration profile. Bar-III binds specifically to the surface of these cells, and part of this interaction involves α5β1 integrin receptors. These results contribute to a better comprehension of the pathophysiology of snakebite accidents/incidents and could be used as a tool to explore novel and safer anti-venom therapeutics. Full article

Numerous bacterial species can both suppress plant pathogens and promote plant growth. By combining these bacteria with stabilizing substances, we can develop biological products with an extended shelf life, contributing to sustainable agriculture. Bacillus subtilis is one such bacterial species, possessing traits that enhance plant growth and offer effective protection, making it suitable for various applications. In this study, we successfully incorporated B. subtilis into hybrid materials composed of poly(3-hydroxybutyrate) (PHB) fibers coated with chitosan film. The polymer carrier not only supports the normal growth of the bioagent but also preserves its viability during long-term storage. For that reason, the impact of chitosan molecular weight on the dynamic viscosity of the solutions used for film formation, as well as the resulting film’s morphology, mechanical properties, and quantity of incorporated B. subtilis, along with their growth dynamics was investigated. SEM was used to examine the morphology of B. subtilis, electrospun PHB, and PHB mats coated with chitosan/B. subtilis. The results from mechanical tests demonstrate that chitosan film formation enhanced the tensile strength of the tested materials. Microbiological tests confirmed that the bacteria incorporated into the hybrid materials grow normally. The conducted viability tests demonstrate that the bacteria incorporated within the electrospun materials remained viable both after incorporation and following 90 days of storage. Moreover, the prepared biohybrid materials effectively inhibited the growth of the plant pathogenic strain Alternaria. Thus, the study provides more efficient and sustainable agricultural solutions by reducing reliance on synthetic materials and enhancing environmental compatibility through the development of advanced biomaterials capable of delivering active biocontrol agents. Full article

Double hydrophilic, random, hyperbranched copolymers were synthesized via reversible addition–fragmentation chain transfer (RAFT) polymerization of oligo(ethylene glycol) methyl ether methacrylate (OEGMA) and 2-(dimethylamino)ethyl methacrylate (DMAEMA) utilizing ethylene glycol dimethacrylate (EGDMA) as the branching agent. The resulting copolymers were characterized in terms of their molecular weight and dispersity using size exclusion chromatography (SEC), and their chemical structure was confirmed using FT-IR and ¹H-NMR spectroscopy techniques. The choice of the two hydrophilic blocks and the design of the macromolecular structure allowed the formation of self-assembled nanoparticles, partially due to the pH-responsive character of the DMAEMA segments and their interaction with -COOH end groups remaining from the chain transfer agent. The copolymers showed pH-responsive properties, mainly due to the protonation–deprotonation equilibria of the DMAEMA segments. Subsequently, a nanoscopic polymer–lipid (lipomer) mixed system was formulated by complexing the synthesized copolymers with cosmetic amphiphilic emulsifiers, specifically glyceryl stearate (GS) and glyceryl stearate citrate (GSC). This study aims to show that developing lipid–polymer hybrid nanoparticles can effectively address the limitations of both liposomes and polymeric nanoparticles. The effects of varying the ionic strength and pH on stimuli-sensitive polymeric and mixed polymer–lipid nanostructures were thoroughly investigated. To achieve this, the structural properties of the hybrid nanoparticles were comprehensively characterized using physicochemical techniques providing insights into their size distribution and stability. Full article

Polyvinyl alcohol (PVA), possessing a strong ability to form hydrogels, has been widely used for various pharmaceutical and biomedical applications. In particular, the use of PVA-PEG in the form of theta gels for altered cartilage treatment has attracted an enormous amount of attention in the last 20 years. In this paper, we prepared 42 PVA-PEG in the form of theta gels at room temperature in an aqueous environment, testing the crystallization occurrence at basic pH (10 or 12). Using a statistical approach, the effect of PEG molecular weight, PVA molecular weight and alkaline pH values on water content and mechanical performance was evaluated. The used procedure permitted the theta gels to maintain swelling properties comparable to those of human cartilage, from 60% to 85%, with both polymers having the same influence. PEG MW mainly affected the hydrophilic properties, whereas the thermal properties were mostly influenced by the PVA. The shear and compression mechanical behavior of the produced materials were affected by both the polymers’ MWs. The sample obtained using PVA 125 kDa with PEG 20 kDa as a porogen appeared to be the most suitable one for cartilage disease treatment, as it had an equilibrium shear modulus in the range of 50–250 kPa, close to that of native articular cartilage, as well as optimal mechanical response under compression along the entire analyzed frequency range with a mean value of 0.12 MPa and a coefficient of friction (COF) which remained under 0.10 for all the tested sliding speeds (mm/s). Full article

Understanding the interactions between solutes and solvents is vital in many areas of the chemical sciences. Solvation free energy (SFE) is an important thermodynamic property in characterising molecular solvation and so accurate prediction of this property is sought after. The One-Dimensional Reference Interaction Site Model (RISM) is a well-established method for modelling solvation, but it is known to yield large errors in the calculation of SFE. In this work, we show that a single machine learning free energy functional for RISM can accurately model solvation thermodynamics in multiple solvents. A convolutional neural network is trained on solvation free energy density functions calculated by RISM for small organic molecules in approximately 100 different solvent systems. We achieve an average RMSE of 1.41 kcal/mol and an R2 of 0.89 across all solvent systems. We also compare the performance for the most and least commonly represented solvents and show that higher accuracy is generally seen with higher volumes of data, with RMSE values of 0.69–1.29 kcal/mol and R2 values of 0.78–0.97 for solvents with more than 50 data points. We have shown that machine learning can greatly improve solvation free energy predictions in RISM, while demonstrating that the methodology is generalisable across solvent systems. This represents a significant step towards a universal machine learning SFE functional for RISM. Full article

Molecularly imprinted polymers (MIPs) can specifically recognize template molecules in solution with imprinted cavities. Due to their capacity for scalable production, they can be used to isolate target products from natural products for industrial production in the fields of pharmaceuticals and food. In this study, magnetic single-template molecularly imprinted polymers (St-MIPs) instead of magnetic multi-template molecularly imprinted polymers (Mt-MIPs) were prepared by surface imprinting using Schizandrol A as a template molecule and deep eutectic solvent (DES) as a functional monomer, combined with solid-phase extraction (SPE) for the adsorption and separation of Schizandrol A, Schisantherin A, Schizandrin A, and Schizandrin B from Schisandra chinensis (Turcz.) Baill. (S. chinensis) fruits extracts. The synthesized MIPs were characterized by FT-IR, TEM, SEM, TG, XRD and VSM, and their adsorption properties were also evaluated. MIPs can specifically recognize the template molecules with high reusability. The purity of the total S. chinensis lignans after SPE was 74.05%, among which that of Schizandrol A, Schisantherin A, Schizandrin A, and Schizandrin B was 33.38%, 8.69%, 16.33% and 15.67%, respectively. Moreover, the one-step synthesis of carrier was easy to operate. And St-MIPs reduced the production cost compared with Mt-MIPs. This study provides a new idea for natural product separation by molecular imprinting technology (MIT). Full article

In recent years, graphene oxide (GO)-based two-dimensional (2D) laminar membranes have attracted considerable attention because of their unique well-defined nanochannels and deliver a wide range of molecular separation properties and fundamentals. However, the practical application of 2D GO layered membranes suffers from instability in aqueous solutions as the interlayer d-spacing of GO membranes is prone to expansion caused by the hydration effect. In this study, the effects of the ethylenediamine (EDA) addition amount on the structure, crosslinking mechanism and separation performance of GO membranes were investigated systematically, and membrane performance was evaluated using water permeability and dye/salt rejection tests. The experimental results show that the amine groups of EDA chemically bond with the hydroxyl functional group (O=C–OH) of GO after intercalation, as evident from Fourier transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). By further controlling the amount of the intercalated EDA, the as-prepared GO composite membranes show nanoscale-tuned d-spacing promising for downstream applications. In the demonstrated dye/salt nanofiltration scenario, the EDA intercalated and crosslinked GO membrane has enhanced permeability by over five times and a better dye rejection rate of over 96% compared with pure GO membranes. These findings highlight a facile strategy for controlling nanochannels by tuning the amounts of reactive intercalants. Full article

Sturge–Weber syndrome (SWS) is a rare congenital neurocutaneous disorder typically caused by a somatic mosaic mutation in R183Q GNAQ. At-risk children present at birth with a capillary malformation port-wine birthmark. The primary diagnostic characteristic of the disorder includes leptomeningeal enhancement of the brain, which demonstrates abnormal blood vessels and results in impaired venous drainage and impaired local cerebral perfusion. Impaired cerebral blood flow is complicated by seizures resulting in strokes, hemiparesis and visual field deficits, hormonal deficiencies, behavioral impairments, and intellectual disability. Therefore, anti-seizure medication in combination with low-dose aspirin is a common therapeutic treatment strategy. Recently published data indicate that the underlying mutation in endothelial cells results in the hyperactivation of downstream pathways and impairment of the blood–brain barrier. Cannabidiol (CBD) has been used to treat medically refractory seizures in SWS due to its anti-seizure, anti-inflammatory, and neuroprotective properties. Pilot research suggests that CBD improves cognitive impairment, emotional regulation, and quality of life in patients with SWS. Recent preclinical studies also suggest overlapping molecular pathways in SWS and in CBD, suggesting that CBD may be uniquely effective for SWS brain involvement. This review aims to summarize early data on CBD’s efficacy for preventing and treating epilepsy and neuro-cognitive impairments in patients with SWS, likely molecular pathways impacted, and provide insights for future translational research to improve clinical treatment for patients with SWS. Full article

The polymer blends are an effective strategy for materials design with new properties in the plastic industry; such features may depend on the blend components and the processing method. This study aimed to understand the effect of styrene-butadiene-styrene (SBS) content and its architecture on blends based on polyphenylene ether (PPE), high-impact polystyrene (HIPS), and SBS. In addition, this research compared and analyzed the blends formulated by different processing methods: twin-screw extrusion (TSE) and internal mixing (IM). Furthermore, three SBS copolymers, two radial and one linear (with different molecular weights), were used to produce PPE/HIPS/SBS blends, analyzing which SBS copolymer feature provides excellent viscoelasticity, thermomechanical properties, and impact resistance. The findings revealed that the melt processing method played a crucial role in Izod impact resistance of the PPE/HIPS/SBS blends, as well as the molecular architecture, molecular weight, and SBS content. The findings also demonstrated that the TSE process is more effective than the IM. Since the PPE/HIPS/SBS blends displayed higher Izod impact resistance than the PPE/HIPS or PPE/SBS binary blends, a synergistic effect of SBS and HIPS is suggested. Full article

Chitosan is a natural biopolymer that is industrially produced from chitin via deacetylation. Due to its unique properties and a plethora of biological activities, chitosan has found application in diverse areas from biomedicine to agriculture and the food sector. Chitosan is regarded as a biosafe, biodegradable, and biocompatible compound that was demonstrated to stimulate plant growth and to induce a general plant defense response, enhancing plant resistance to various pathogens, including bacteria, fungi, nematodes, and viruses. Here, we focus on chitosan application as an antiviral agent for plant protection. We review both the pioneer studies and recent research that report the effect of plant treatment with chitosan and its derivatives on viral infection. Special attention is paid to aspects that affect the biological activity of chitosan: polymer length and, correspondingly, its molecular weight; concentration; deacetylation degree and charge; application protocol; and experimental set-up. Thus, we compare the reported effects of various forms and derivatives of chitosan as well as chitosan-based nanomaterials, focusing on the putative mechanisms underlying chitosan-induced plant resistance to plant viruses. Full article

Autism spectrum disorder is a complex neurodevelopmental disorder. The available medical treatment options for autism spectrum disorder are very limited. While the etiology and pathophysiology of autism spectrum disorder are still not fully understood, recent studies have suggested that wide alterations in the GABAergic, glutamatergic, cholinergic, and serotonergic systems play a key role in its development and progression. Histamine neurotransmission is known to have complex interactions with other neurotransmitters that fit perfectly into the complex etiology of this disease. Multitarget-directed compounds with an affinity for the histamine H₃ receptor indicate an interesting profile of activity against autism spectrum disorder in animal models. Here, we present the results of our research on the properties of (4-piperazin-1-ylbutyl)guanidine derivatives acting on histamine H₃ receptors as potential multitarget ligands. Through the virtual screening approach, we identified promising ligands among 32 non-imidazole histamine H₃ receptor antagonists/inverse agonists with potential additional activity against the dopamine D₂ receptor and/or cholinesterases. The virtual screening protocol integrated predictions from SwissTargetPrediction, SEA, and PPB2 tools, along with molecular docking simulations conducted using GOLD 5.3 and Glide 7.5 software. Among the selected ligands, compounds 25 and 30 blocked radioligand binding to the D₂ receptor at over 50% at a screening concentration of 1 µM. Further experiments allowed us to determine the pK_i value at the D₂ receptor of 6.22 and 6.12 for compounds 25 and 30, respectively. Our findings suggest that some of the tested compounds could be promising multitarget-directed ligands for the further research and development of more effective treatments for autism spectrum disorder. Full article

In order to evaluate the effect and mechanism of composite modifiers on the anti-aging property of asphalt, this study selected hydrotalcite and ultraviolet absorber as anti-aging modifiers to prepare different types of modified asphalt and carry out ultraviolet aging treatment. The effects of composite modification on the physical and rheological properties of asphalt under ultraviolet aging conditions were studied by three indices and by dynamic shear rheometer. The distribution and interaction characteristics of composite modifiers in asphalt matrix were analyzed by scanning electron microscopy (SEM) and energy dispersion spectroscopy (EDS). Fourier transform infrared spectroscopy (FTIR) was used to analyze the changes in functional groups and characteristic parameters in the compound modified asphalt. Based on this, a molecular dynamics model of the compound modified asphalt was constructed, and the changes in solubility parameters, free volume, and mean azimuth shift were analyzed. The results show that the addition of the compound modifier can significantly improve the UV aging resistance of asphalt, mainly by controlling the asphalt components and characteristic functional groups, and the good compatibility between the modifier and asphalt ensures the modification effect. Full article

The SCD is a rate-limiting enzyme that catalyzes the synthesis of monounsaturated fatty acids (MUFAs) in dairy cows; however, its role in the mammary gland of buffalo is not well understood. In this study, we isolated and characterized the complete coding sequence (CDS) of the buffalo SCD gene from mammary gland tissue and investigated its effects on milk fat synthesis using bioinformatics analyses, tissue differential expression detection, and cellular functional experiments. The cloned SCD gene has a CDS length of 1080 bp, encoding a protein of 359 amino acids. This protein is hydrophilic, lacks a signal peptide, and contains four transmembrane domains, including 10 conserved motifs and a Delta9-FADS domain, characteristic of the fatty acid desaturase family involved in unsaturated fatty acid biosynthesis within the endoplasmic reticulum. Molecular characterization revealed that the physicochemical properties, conserved domains, structures, and functions of buffalo SCD are highly similar to those in other Bovidae species. Among the tissues analyzed, SCD expression was highest in the mammary gland during lactation and in the cerebellum during dry-off period. Notably, SCD expression in the mammary gland was significantly higher during lactation compared to the dry-off period. Subcellular localization experiments confirmed that SCD functions in the endoplasmic reticulum of buffalo mammary epithelial cells (BuMECs). Functional overexpression and interference experiments in BuMECs demonstrated that SCD promotes milk fat synthesis by affecting the expression of lipid synthesis-related genes such as ACACA, FASN, and DGAT1, as well as milk fat regulatory genes like SREBFs and PPARG, thereby influencing intracellular triglyceride (TAG) content. Additionally, 18 single-nucleotide polymorphisms (SNPs) were identified in the buffalo SCD gene, with a specific SNP at c.-605, showing potential as molecular markers for improving milk production traits. These findings highlight that the SCD gene is a key gene in buffalo milk fat synthesis, involved in the de novo synthesis of milk fatty acids. Full article

Tomatoes are a crucial global crop, impacting economies and livelihoods worldwide. However, pests like the tomato leafminer (Tuta absoluta) significantly reduce their yield potential. Nanoparticles come as a solution to this context, promising innovative strategies for the protection of plants from pest infestation and management. Nanoparticles have shown great potential to improve tomato plant resistance against pests and diseases because of their unique properties. They enhance plant physiological processes like photosynthesis and nutrient uptake while activating defense-related molecular pathways. Nanoparticles also directly impact the life cycle and behavioral patterns of pests such as the tomato leafminer, reducing their destructive nature. The dual benefits of nanoparticles for enhancing plants’ health and managing pests effectively provide a two-way innovative approach in agriculture. Gains made with such technology not only include increasing crop productivity and reducing crop losses but also reducing the heavy dependence on chemical pesticides, many of which have been attributed to environmental hazards. The current study illustrates the broader implications of nanoparticle use in agriculture, which is a sustainable pathway to increase crop resilience and productivity while reducing the impact of pests. Such novel approaches underline the need for continued interdisciplinary research to exploit the potential of nanotechnology in sustainable agricultural practices fully. Full article

Avoiding global dependence on fossil oils and improving the environmental impact of energy production are factors that drive research into renewable energies. Considering lignocellulosic biomass residues as a raw material for gasification, a thermochemical process that converts lignocellulosic resources into synthesis gas (H₂, CO, CH₄, and CO₂) is an alternative under study due to its low costs, high efficiency, and wide variety of applications. Fortunately, there are still areas for its improvement and technological development. For example, this can be achieved by gasification. Distinct types of lignocellulosic biomass, such as sugarcane bagasse, wheat straw, pine sawdust, or corn cob, differ in their physical, chemical, and morphological properties, which can affect the characteristics of the gasification process. This work uses the generalized stoichiometry and mass and atomic balances in the gasification reactor to predict the composition of syngas produced via the gasification of both individual substrates and mixtures. The results provide useful information for the design and operation of gasification reactors with an operating region between 2.0 bar and 4.5 bar and between 1023.15 K and 1223.15 K, particularly with regard to understanding the effects of distinct types of biomasses in terms of their humidity and molecular weight on the operation and performance of the process. One important conclusion reached after simulating the addition of more vapor is that the (H₂/CO) ratio cannot be increased indefinitely: it is limited by the thermodynamic equilibrium reached by the system. Full article