Search Results (177)

The design of biomass-derived polymer electrolytes with integrated multifunctionality represents a key strategy for sustainable energy storage devices. Here, we report a fully biomass-derived dual-network hydrogel electrolyte fabricated by combining Pectin (PC) and Chitosan (CTS), two naturally abundant polysaccharides. The Pectin/Chitosan dual-network hydrogel electrolyte (PC/CTS) forms a robust physically crosslinked network through electrostatic interactions between the carboxyl groups of PC and the amino groups of CTS, reinforced by dense hydrogen bonding and amide crosslinks, yielding a tensile strength of 77.76 MPa. The abundant polar functional groups of the dual polymer network serve a synergistic dual function: the amino groups of CTS preferentially adsorb onto the zinc anode surface (adsorption energy: −1.24 eV), forming a dynamic protective interphase, while the carboxyl groups of PC coordinate with Zn²⁺ (binding energy: −0.86 eV), reconstituting the solvation sheath and guiding uniform ion flux. This anchorage-capture mechanism, enabled by the molecular design of the polymer network, effectively suppresses dendrite growth, hydrogen evolution, and parasitic side reactions. Consequently, the PC/CTS electrolyte enables stable Zn//Zn cycling for 3350 h, 99.5% average Coulombic efficiency (CE) over 780 Zn//Cu cycles (at 5 mA cm⁻² and 1 mAh cm⁻²), and 63.8% capacity retention after 500 cycles in Zn//MnO₂ full cells. This work demonstrates that rational engineering of natural polymer networks can simultaneously address electrode stability challenges in aqueous batteries, offering a sustainable materials platform for next-generation energy storage devices. Full article

Sustainable development is seriously hampered by environmental contamination. Heavy metals are perhaps the most significant of these silent pollutants because of the poisoning they inflict on different ecosystems, particularly water systems, as well as the direct threat they pose to the safety of such systems and the ensuing health issues that affect people and other living things. The goal of the current work is to ascertain how effective peanut (Arachis hypogaea) hulls are as easily accessible and reasonably priced adsorbent materials for the ion adsorption of various heavy metals, including lead, copper, zinc, and cadmium. A series of variables, such as pH, temperature, retention time, shape, quantity of adsorbent and particle size, were investigated to reach the optimal conditions for the biosorption process, which were achieved at pH 6 (close to pH-zero charge), a temperature of 40 °C, a retention time of 60 min, an adsorbent dose of 5 g/L, and a particle diameter of 0.1 mm. Experiments showed that lead had the highest treatment rate, approximately 95%, followed by zinc, copper, and cadmium. The results were confirmed and validated using SEM analysis to identify the morphology of the hulls before and after treatment, FTIR spectroscopy to investigate the functional groups responsible for binding to the metal ions, and further supported by kinetic isotherms of the adsorption behavior, which matched the Langmuir and Freundlich models. Nevertheless, the results of the batch experiment were employed by designing a laboratory treatment unit for municipal wastewater containing beads of alginate-immobilized Arachis hypogaea hulls. The designed laboratory unit was effective in treating unacceptable levels of heavy metals in some municipal wastewater from the local drainages of Ramadi City, Iraq. Overall, the study’s findings suggested that peanut hulls could be used to mitigate toxic metal pollution in an eco-friendly manner that guarantees the accomplishment of the Sustainable Development Goals pertaining to future generations’ right to the safe use of water resources. Full article

Plant A/T-rich sequence and zinc-binding protein (PLATZ) transcription factors are pivotal regulators of plant growth, development, and abiotic stress responses. Although PLATZ genes have been extensively studied and functionally characterized in various plant species, little information is available regarding these genes in the legume model plant Medicago truncatula. In this study, a total of 16 PLATZ genes (designated MtPLATZ1 to MtPLATZ16) were identified from the M. truncatula genome and distributed across six of the eight chromosomes. Subcellular localization prediction analysis indicated that all MtPLATZ proteins are localized in the nucleus, with eight representative members experimentally validated by transient expression assays. Collinearity analysis indicated that five segmental duplication pairs were the primary driver of MtPLATZ gene expansion. Based on phylogenetic analysis, these genes were classified into four groups, comprising 6, 2, 4, and 4 genes, respectively. Gene structure analysis demonstrated that these genes possess three or four exons. Most MtPLATZ genes were found to contain at least one ABRE cis-element in their promoter regions, and a few also harbored LTR, CAT-box, ARE, and DRE cis-elements. Expression analysis revealed that MtPLATZ genes exhibit distinct expression patterns across different tissues, suggesting that they may be differentially regulated by abiotic stresses in a tissue-specific manner. Under PEG-induced osmotic stress, acute NaCl shock, acute heat shock, and acute cold shock, the expression levels of these eight genes exhibited significant changes, particularly MtPLATZ2, MtPLATZ6, and MtPLATZ9, indicating that MtPLATZ gene family members may play a broad role in abiotic stress responses. In summary, these findings provide valuable insights for future functional exploration of MtPLATZ genes and contribute to a deeper understanding of their roles in stress responses in M. truncatula. Full article

The escalating prevalence of bacterial infections has intensified the search for innovative antimicrobial strategies, particularly for infected wound management. Chondroitin sulfate (CS), a naturally occurring glycosaminoglycan with established biocompatibility, presents an attractive scaffold for developing metal ion-functionalized biomaterials. This study reports the fabrication of chondroitin sulfate–copper complex (CSCu) and chondroitin sulfate–zinc complex (CSZn) through an ion exchange method, wherein Cu²⁺ and Zn²⁺ ions bind to the groups of carboxylate, sulfate, or N-acetyl from the CS backbone. The resulting complexes exhibited copper or zinc loading capacities of about 6.6% and demonstrated potent antibacterial activity against E. coli and S. aureus. The integration of CSCu or CSZn with sodium alginate yielded a hydrogel system with a higher apparent viscosity, possessing injectability and spreadability on the skin surface and a porous three-dimensional internal structure conducive to wound healing applications. In a murine model of S. aureus-infected full-thickness wounds, topical application of CSCu and CSZn hydrogels substantially accelerated wound closure, achieving 97.46% and 98.11% healing, respectively, by day 10. Additionally, treatment with CSCu or CSZn hydrogels significantly attenuated systemic inflammatory responses, as reflected in lowered serum TNF-α, IL-1β, and IL-6 alongside increased IL-10. Histological evaluation confirmed enhanced re-epithelialization and stratum spinosum formation in treated wounds. These findings establish CSCu and CSZn as a promising bioactive agent for addressing bacterial wound infections through a dual mechanism of direct antibacterial action and immunomodulatory effects, offering a valuable alternative to conventional antibiotic therapies. Full article

Histone deacetylases (HDACs) are important epigenetic regulatory enzymes contributing to cancer proliferation, which could be critical targets in cancer therapy. The structural similarities of the existing HDAC inhibitors have resulted in an increase in the drug resistance. In this study, coumarin was employed as the core scaffold for structural derivatisation to develop a novel class of HDAC inhibitors based on computer-aided design (CADD). Their anti-tumor activity was evaluated against esophageal squamous cell lines. The results showed that most compounds exhibited potent anti-proliferative activity against KYSE70 and KYSE150. Among them, compound 4s and 4p exhibited the most potent activity with IC₅₀ values of 3.44 μM and 3.39 μM against KYSE70. To validate the target of the synthesized compounds, transcriptome sequencing was performed and the results revealed that a total of 487 genes were differentially expressed, including 190 up-regulated and 297 down-regulated genes. Among these, 79 genes were associated with the HDAC regulatory network, accounting for 16.2% of the differentially expressed genes. Molecular docking demonstrated that compound 4s could effectively enter the active site of HDAC, engaging with the cap group, zinc-binding group, and linker region. This multiple interaction network provides a structural basis for the potent inhibitory activity of compound 4s. In conclusion, a series of novel HDAC inhibitors with a coumarin scaffold were discovered, and their mode of action was revealed. This provides a valuable guide for the development of novel HDAC-targeting therapeutics. Full article

Background: Hydrogel membranes are highly effective biomaterials with huge potential for advanced wound management, offering the dual advantage of maintaining a beneficial moist environment while serving as a localized reservoir for antibacterial agents. Zinc oxide nanoparticles (ZnO NPs) are particularly notable in this regard, possessing potent antibacterial capabilities and intrinsic tissue-healing properties. Methods: In this study, we report the successful fabrication of a novel locust bean gum (LBG) hydrogel encapsulated with ZnO NPs, utilizing AlCl₃ as a cross-linking agent. The synthesized nanocomposite hydrogels were structurally and chemically characterized using Scanning Electron Microscopy (SEM) and Fourier-Transform Infrared Spectroscopy (FTIR) followed by in vivo studies using experimental animals by creating wound model. Results: Physicochemical evaluations revealed a concentration and pH-dependent swelling profile, achieving a maximum swelling capacity of 97% at pH 9. In vitro kinetic studies depicted a highly desirable initial burst release of the active therapeutic, subsequently followed by a continuous, sustained release phase that was strictly governed by non-Fickian diffusion mechanics. Furthermore, the optimized formulations achieved excellent entrapment efficiencies (>95%) and substantial free-radical scavenging antioxidant potential (>86%). Biological assessments confirmed the safety and efficacy of the nanocomposites. The formulations exhibited zero cellular toxicity against fibroblast cell lines and demonstrated complete biocompatibility during tissue histopathological evaluations. Significant antimicrobial activity was also observed, as demonstrated by reduction in the Minimum Inhibitory Concentration (MIC) against critical pathogens, including S. aureus, E. coli, P. aeruginosa, and resistant MRSA strains. Crucially, in vivo studies using experimental animal models demonstrated accelerated tissue remodeling, achieving complete wound healing by day 11 and vastly outperforming the control groups. Finally, in silico molecular docking simulations corroborated these empirical findings, revealing strong and favorable binding interactions of the nanocomposite with key target proteins to elucidate its underlying antibacterial mechanisms. Conclusions: Collectively, these results establish the ZnO-loaded LBG hydrogel as a safe, multifunctional, and highly efficient topical drug delivery platform for cutaneous wound healing. Full article

As a devastating disease worldwide, rice bacterial leaf blight—caused by Xanthomonas oryzae pv. oryzae (Xoo)—leads to substantial reductions in grain yield. The increasing resistance to conventional bactericides necessitates the development of novel and sustainable control agents. This study evaluated 58 novel alkyl sulfonamide compounds against Xoo. In the turbidimetric assay at 100 mg/L, several compounds showed potent antibacterial activity. Among them, SYAUP-116 and SYAUP-212 exhibited in vitro inhibition comparable to that of streptomycin sulfate at the same concentration. Furthermore, in EC₅₀ determination assays, both compounds yielded lower EC₅₀ values than zinc thiazole. Among the 58 compounds tested, SYAUP-491 exhibited an in vitro EC₅₀ of 6.96 mg/L and achieved 74.1% in vivo therapeutic efficacy at 200 mg/L, representing the most promising lead for further characterization. Molecular docking, based on prior proteomic data, indicates potential stable binding to ribosomal proteins (50S L33/L34 and 30S S5), with the strongest interaction observed for L33 (binding free energy: −5.73 kcal/mol). This suggests a putative mechanism involving ribosome targeting and protein synthesis inhibition, which may be facilitated by hydrophobic interactions and halogen bonds derived from its trifluoromethyl and sulfonamide groups. SYAUP-491 demonstrates significant potential as a novel bactericide for rice bacterial leaf blight, warranting further research on structure-activity optimization, target validation, and field performance. Full article

Histone deacetylase inhibitors (HDACi) are an emerging class of epigenetic anticancer drugs that exert their activity through coordination to the catalytic Zn²⁺ ion within the active site of histone deacetylases (HDACs). Due to the limited isoform-selectivity of hydroxamic acid-based inhibitors, benzamide-based HDACi (BBHDACi) have been developed as subtype-selective alternatives. Clinically relevant representatives include Chidamide, Entinostat, Mocetinostat, Zabadinostat, and Tacedinaline. Although these compounds share a conserved o-aminoanilide zinc-binding group (ZBG), they differ in linker and cap region structure, raising questions regarding their intrinsic Zn²⁺ affinity and coordination behavior. Herein, density functional theory (DFT) calculations were performed at the B3LYP/6-311++g(d,p) level of theory combined with the PCM solvation in methanol (ε = 33) and water (ε = 78). Geometry optimization confirmed that the trans (E) isomer of Chidamide is thermodynamically preferred. Coordination studies showed that the remaining BBHDACi adopt stable geometries, with the o-aminoanilide group preferentially forming tetracoordinated complexes that are more stable than hexacoordinated ones in polar media. Interestingly, calculated substitution free energies differed by less than ± 2 kcal.mol⁻¹, indicating nearly identical intrinsic Zn²⁺ affinities across the series. These results suggest that the ZBG contributes similarly to metal coordination across all BBHDACi, whereas the overall binding strength is mainly governed by interactions of the linker and cap regions rather than by the conserved zinc-binding group itself. Full article

A zinc complex of chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) was obtained by reaction with zinc oxide under isothermal conditions. Its composition was confirmed by elemental and thermogravimetric analyses, and its molecular structure was characterized using NMR and IR spectroscopy. Single-crystal X-ray diffraction revealed that the complex crystallizes as a one-dimensional coordination polymer, [ZnChel(H₂O)₄]_n, in the triclinic space group P-1, featuring a distorted octahedral Zn(II) center coordinated by two chelidonate ligands and four water molecules. This six-coordinate arrangement contrasts with previously described tetra-coordinated Zn–chelidonate complexes. Quantum-chemical calculations and molecular dynamics simulations indicated that, in aqueous solution, Zn(II) preferentially forms a monodentate ZnChel(H₂O)₅ species, consistent with the solid-state coordination environment. The interaction of the complex with bovine serum albumin (BSA) was examined by fluorescence, UV–Vis absorption, and circular dichroism spectroscopy, revealing a mixed static–dynamic quenching mechanism, moderate binding affinity, and hydrogen-bonding/van der Waals contributions accompanied by alterations in BSA secondary structure. These results expand the structural chemistry of chelidonic acid and provide biophysical insight into the protein-binding behavior of zinc chelidonate, supporting its potential relevance as a zinc-based bioactive compound. Full article

Salt stress is a major abiotic factor that significantly limits crop yields worldwide. Late embryogenesis abundant (LEA) proteins, which are widely present across diverse organisms, play critical and multifaceted roles in plant responses to abiotic stress. However, only a few salt tolerance-related HvLEA genes have been identified in barley. In this study, we characterized 107 HvLEA proteins in barley, which were classified into eight groups and found to be distributed across all seven chromosomes. RNA-Seq analysis of root and leaf tissues from the cultivar “Golden Promise” at 12, 48, and 120 h after salt stress treatment identified 69 differentially expressed HvLEA genes across both tissues. Among these, 41 HvLEA genes were commonly differentially expressed in leaves and roots. Six genes (HvDHN2, HvDHN5, HvDHN10, HvLEA1.1, HvLEA1.6, and HvSMP2) were extremely up-regulated after salt stress in both roots and leaves, with log2FC values exceeding 10, indicating their potential key roles in salt stress response. qPCR validation of selected genes confirmed expression trends consistent with the RNA-Seq data. Database predictions and co-expression network analysis suggested that, in addition to potential protein interactions within the same family, these genes may interact with partners such as cysteine-rich receptor kinases, zinc finger proteins, calcium-binding EF-hand family proteins, NAC domain-containing proteins, and glycosyltransferases. This study identified key HvLEA genes involved in salt stress response and provided valuable genetic resources for improving barley tolerance through molecular breeding. Full article

SHORT INTERNODE (SHI)-related sequence (SRS) transcription factors are plant-specific zinc-finger proteins increasingly implicated in growth and abiotic stress responses. Despite their diverse vital role in plants, they are largely unexplored in bread wheat. In this study, we identified 15 TaSRS genes and classified them into five homoeologous groups in the bread wheat genome. Each TaSRS protein consisted of conserved RING-like zinc-finger and IGGH domains. The synteny and phylogenetic analyses provided insight into the evolutionary divergence and conservation of TaSRS proteins. Promoter analysis revealed the presence of stress-responsive cis-regulatory elements along with various transcription factor binding sites, indicating their plausible roles in drought and salinity stress responses and signalling. Additionally, the predicted regulation of a few TaSRS genes through certain miRNAs involved in hormone and stress responses, plant development, and nutrient uptake suggested their diverse functions. In silico protein–protein interaction and gene ontology analyses further anticipated an association of TaSRS proteins with organ development and hormone and stress response. High-throughput transcriptomic profiling revealed differential expression of TaSRS genes across various vegetative and reproductive stages and abiotic stress conditions. The qRT-PCR analyses confirmed the stress-responsive role of TaSRS1-1D, TaSRS2-3D, TaSRS4-7A, and TaSRS5-7A under drought and salinity conditions. These results indicated the potential role of TaSRS genes in stress adaptation and opened up opportunities for their detailed functional characterization and applications in the development of salinity and drought resilience in crops. Full article

Zinc and iron are essential micronutrients in crop nutrition, and polymer-based nanogels have emerged as promising carriers to modulate their availability in sustainable agricultural systems. Here, a polymeric model receptor was designed to investigate how the nature and position of electron-donating (–NH₂) and electron-withdrawing (–NO₂) substituents control the recognition of Zn²⁺ and Fe²⁺ cations. Using a combination of density functional theory calculations, energy decomposition analysis with natural orbitals for chemical valence (EDA–NOCV), electrostatic potential (ESP) mapping, and quantum theory of atoms in molecules (QTAIM) method, the receptor–cation interactions are dissected into electrostatic, Pauli repulsion, orbital, and dispersion contributions. The results show that complex stability is governed mainly by orbital and electrostatic terms, with Fe²⁺ forming the most stable complex (−393.57 kcal mol⁻¹) with regard to a Zn²⁺ similar complex (−288.80 kcal mol⁻¹). Zn²⁺ complexes exhibit a broad tunability with substituent pattern. Electron-donating groups systematically strengthen both electrostatic and orbital components, whereas nitro substituents display a pronounced positional effect, ranging from strong destabilization to significant stabilization of Zn²⁺ binding. These findings establish molecular-level guidelines for engineering polymeric nanogels with tunable affinity and selectivity toward micronutrient cations in agricultural applications. Full article

Zinc finger proteins (ZFPs) are a diverse group of plant transcription factors essential for regulating development, signaling, and stress responses. In this study, we performed a genome-wide identification and integrative analysis of 140 C3H-type zinc finger transcription factor genes in the soybean genome, exhibiting an uneven distribution across all 20 chromosomes. These C3H-ZFPs contained one (37), two (58), three (19), four (7), five (17), or six (2) C3H domains and were classified into 14 subsets based on their domain architecture. All C3H genes encoding proteins harbored the conserved C3H-ZFP domain and displayed various physicochemical characteristics. Phylogenetic analysis grouped them into 10 clades, closely related to other species like Arabidopsis, rice and alfalfa. Promoter analysis revealed cis-elements associated with stress response (~39.1%), light response (~37.3%), phytohormones (~18.5%), and development (~4.97%). Duplication analysis revealed 78 pairs of segmental and eight tandem duplication events, with purifying selection indicated by Ka/Ks (nonsynonymous/synonymous) ratios, indicating that these C3H-ZFP duplicates were largely maintained under purifying selection. A total of 388 miRNAs from 196 gene families were predicted to target 140 C3H-ZFP genes, with most enriched miRNAs targeting C3H-ZFP genes, including the miR156, miR395, and miR396 families. Transcription factor binding sites for MYB, AP2, MIKC_MADS, BBR-BPC, ERF, C2H2, and Dof were found upstream of most C3H-ZFP genes. RNA-Seq and qRT-PCR analyses showed tissue-specific expression and stress-responsive expression patterns, with several C3H-ZFP genes, especially GmC3H1, GmC3H63, GmC3H124, and GmC3H127, being significantly upregulated under abiotic stress conditions. Together, these results provide a comprehensive overview of soybean C3H-ZFP genes and identify promising candidates for future functional studies on development and abiotic stress adaptation. Full article

Due to its antioxidant and immunomodulatory properties, using passion fruit seed oil (PFSO) is a promising strategy to mitigate the effects of heat stress in laying hens, potentially optimizing the absorption of essential minerals such as selenium (Se) and zinc (Zn). Therefore, this study investigated the profile of selenium- and zinc-binding proteins (Se/Zn-BPs) in the hepatic proteome of Lohmann White laying hens (26 weeks old, n = 96) subjected to heat stress and whose diet was supplemented with 0.9% PFSO, using a metalloproteomic approach that combined two-dimensional electrophoresis (2D PAGE), graphite furnace atomic absorption spectrometry (GFAAS), and liquid chromatography–tandem mass spectrometry (LC-MS/MS). The experimental design was a 2 × 2 factorial (temperature: thermoneutral/stress × diet: control/PFSO) design. After 84 days, liver samples were collected and subjected to metalloproteomic analyses. GFAAS analysis showed higher concentrations of Zn and Se in the protein pellets and in 11 specific protein spots of the supplemented groups (thermoneutral/PFSO and stress/PFSO). LC-MS/MS analysis identified 56 Se/Zn-BPs, with a predominance of heat shock chaperones (HSPs) and proteins involved in energy metabolism. In conclusion, PFSO supplementation modulates Se and Zn absorption, promoting a mineral balance that optimizes immune and antioxidant defense processes. This mechanism can lead to a positive impact on the health and productive performance of laying hens under heat stress. Full article

Pseudomonas aeruginosa elastase LasB accelerates refrigerated food spoilage through proteolytic degradation of muscle and milk proteins. While Marrubium vulgare essential oil terpenes exhibit antimicrobial activity, their weak potency and nonspecificity limit direct food preservation applications. This computational study aimed to rationally redesign terpene scaffolds into predicted selective LasB inhibitors. A virtual library of 635 terpene–peptide–phosphinic acid hybrids (expanded to 3940 conformers) was evaluated using consensus molecular docking (Glide/Flare) against LasB (PDB: 3DBK) and three human off-target proteases. Top candidates underwent duplicate 150 ns molecular dynamics simulations with MM/GBSA binding free-energy calculations. Computational screening identified thymol–Leu–Trp–phosphinic acid as the lead candidate with predicted binding affinity of −12.12 kcal/mol, comparable to reference inhibitor phosphoramidon (−11.87 kcal/mol), and predicted selectivity index of +0.12 kcal/mol representing a 2.3 kcal/mol advantage over human proteases. Molecular dynamics simulations indicated exceptional stability (98.7% stable frames, 0.12 Å inter-replica RMSD) with consistent zinc coordination. Structure–activity analysis revealed phosphinic zinc-binding groups (+1.57 kcal/mol), Leu–Trp linkers (+2.47 kcal/mol), and phenolic scaffolds (+1.35 kcal/mol) as predicted optimal structural features. This in silico study provides a computational framework and prioritized candidate set for developing natural product-derived food preservatives. All findings represent computational predictions requiring experimental validation through enzymatic assays, food model studies, and toxicological evaluation. Full article