An eco-friendly and cost-effective approach for the synthesis of a novel GA@CuO-ZnO nanocomposite: characterization, antimicrobial and anticancer activities.

In this study, a nanocomposite based on copper oxide-zinc oxide nanoparticles and Gum Arabic (GA@CuO-ZnO nanocomposite) was successfully synthesized using green method. Characterization results revealed that the prepared nanocomposite appeared at the nanoscale level, showed excellent dispersion, and formed stable colloidal nano-solutions. The bimetallic GA@CuO-ZnO nanocomposite was evaluated for its anticancer, antibacterial, and antifungal properties.

Potent EGFR/PARP-1 inhibition by spirooxindole-triazole hybrids for targeted liver cancer therapy.

The search for effective anti-cancer therapies has led to the exploration of dual inhibition strategies targeting multiple key molecular pathways. In this study, we aimed to design a novel candidate capable of dual inhibition targeting both EGFR (Epidermal Growth Factor Receptor) and PARP-1 (poly(ADP-ribose)polymerase-1), two crucial proteins implicated in cancer progression and resistance mechanisms. Through molecular hybridization and structure-based drug design approaches, we synthesized a series of compounds based on spirooxindole with triazole scaffolds with the potential for dual EGFR and PARP-1 inhibition.

Electrochemically embedded heterostructured Ni/NiS anchored onto carbon paper as bifunctional electrocatalysts for urea oxidation and hydrogen evolution reaction.

Developing high-efficiency, cost-effective, and long-term stable nanostructured catalysts for electrocatalytic water splitting remains one of the most challenging aspects of hydrogen fuel production. Urea electrooxidation reaction (UOR) can produce hydrogen energy from nitrogen-rich wastewater, making it a more sustainable and cheaper source of hydrogen. In this study, we have developed Ni/NiS hybrid structures with cauliflower-like morphology on carbon paper electrodes through the application of dimethylsulfoxide solvents.

Correction: Reinvestigation of Passerini and Ugi scaffolds as multistep apoptotic inducers dual modulation of caspase 3/7 and P53-MDM2 signaling for halting breast cancer.

[This corrects the article DOI: 10.1039/D3RA04029A.].

Decontamination of textile effluents the adsorption process on various raw clay minerals enhanced by ozonation: a modeling approach and optimization.

This study seeks to characterize three different clays and compare their capability to decontaminate a textile effluent using the adsorption process and to explore the synergistic effects of ozonation on the treatment. Response surface methodology, based on central composite design, was used to investigate the impact of three key parameters, namely, solution pH, clay dosage, and contact time, on the adsorption process. The three clays were sourced from distinct regions across Tunisia: Rommana, Tabarka, and Medenine.

Advanced functional Cu-Cr-Co-NPs@gelatin (GLN)-hydroxyethyl cellulose (HEC) nanocomposites with antimicrobial and anticancer activities.

An advanced hybrid nanocomposite based on different metals (copper, cobalt, and chromium) decorated with sustainable polysaccharides (gelatin, GLN, and hydroxyethyl cellulose, HEC) was developed. The composite reflects several advantages including a controlled particle size, particle size distribution, along with promising antimicrobial and anticancer activities. Topographical and elemental analyses were carried out using field-emission scanning electron microscopy (FE-SEM), high-resolution transmission electron microscopy (HR-TEM), and energy dispersive X-ray analysis (EDX), demonstrating the formation of trimetallic nanoparticles (NPs) possessing domain sizes of 169 nm and 102 nm assigned to the free nanocomposite (Fcomp) and loaded nanocomposite (Lcomp), respectively.

Innovative multi-layered FeO-Gr/carbon/polypyrrole nanofiber composite: "a new frontier in dielectric enhancement and EMI shielding".

This study presents the synthesis and comprehensive characterization of an FeO-Gr/carbon/polypyrrole nanofiber composite, highlighting its morphology as determined through Field Emission Scanning Electron Microscopy (FE-SEM) analysis, which reveals the small rod-like shape of the nano-fibers with an average diameter of 68 nm calculated from Image J software, contributing to a high surface area. X-ray diffraction (XRD) analysis confirms the effective formation of FeO-Gr nanofibers, graphene, carbon, and polypyrrole (PPy), showcasing distinct crystallographic phases that strengthen the material's magnetic and conductive properties. The impedance plane plot indicates two relaxation processes at low and high-frequency regions from low to high-temperature ranges of 273 K to 363 K, reflecting complex electroactive charge transport dynamics within the nanofiber composite.

RuC nanosheet as a promising biosensing material for detecting the aromatic amino acids: a DFT study.

Density functional theory (DFT) calculations were performed to examine the potential of the RuC nanosheet as a biosensor towards the aromatic amino acids (AAA; tryptophan (TRP), histidine (HIS), tyrosine (TYR), and phenylalanine (PHE)). The AAA molecules were placed vertically and horizontally with respect to the RuC surface and then subjected to geometrical relaxation. According to the geometry relaxation results, it was found that all AAA molecules preferred to be adsorbed on the RuC surface in a horizontal configuration rather than a vertical one, except the HIS molecule, which desired to be vertically adsorbed on the RuC nanosheet.

Crystalline engineering of FAPbI pyrrolidinium ionic liquid for stable perovskite solar cells with 21.72% efficiency.

Improving the crystallinity of formamidinium triiodide (FAPbI) perovskite layer is one of the most effective approaches to increase the photovoltaic performance and stability of FAPbI-based solar cells (FSCs). In the current study, FAPbI layers were fabricated through a sequential deposition method. The morphology and crystalline properties of the FAPbI layers were modified by controlling the lead iodide (PbI) precursor by adding pyrrolidinium (Pyr) material into the PbI layer and modulating the FAPbI crystallization.

Morphology-driven electrochemical attributes of Cu-MOF: a high-performance anodic material for battery supercapacitor hybrids.

Metal-organic frameworks (MOFs) have garnered substantial attention as promising candidates for electrode materials due to their intriguing electrochemical properties. However, the quest for enhanced energy density and electrical conductivity persists. Manipulating surface morphology emerges as a pivotal strategy to modulate these attributes and unlock the full potential of MOFs in electrochemical applications.

Development of a selective COX-2 inhibitor: from synthesis to enhanced efficacy nano-formulation.

Non-steroidal anti-inflammatory drugs NSAIDs are widely used for managing various conditions including pain, inflammation, arthritis and many musculoskeletal disorders. NSAIDs exert their biological effects by inhibiting the cyclooxygenase (COX) enzyme, which has two main isoforms COX-1 and COX-2. The COX-2 isoform is believed to be directly related to inflammation.

Al, P-co-doping and interface engineering synergistically boost the electrocatalytic performance of WS/NiS/NiS nanosheet heterostructure for efficient hydrogen evolution reaction.

The fabrication of earth-abundant electrocatalysts capable of facilitating hydrogen evolution reactions (HER) is essential for creating sustainable hydrogen fuel by water splitting. Here, we present a one-pot hydrothermal approach for producing aluminum and phosphorus co-doped NiS/NiS/WS heterostructure hybrid frameworks on nickel foam. The optimal Al and Al, P/NiWS-b@NF catalyst exhibits high HER activity with overpotentials of 139 and 227 mV at current densities of 10 and 50 mA cm, respectively, thanks to the synergistic effect of the various constituents of the catalyst.

Unveiling multifunctional inhibitors: holistic spectral, electronic and molecular characterization, coupled with biological profiling of substituted pyridine derivatives against , and .

This study delves into the therapeutic potential of a molecule, 3-substituted phenyl-1-(pyridine-4-carbonyl)-1-pyrazole-4-carboxylic acid (PPP), for antimicrobial, antioxidant and anti-diabetic activities. The research encompasses design, synthesis, molecular docking and biological screening of related pyrazole carboxylic acid derivatives. Spectral studies confirmed the structures and molecular mechanics with DFT calculations provided insights into molecular properties and interactions.

First-principles study of electronic, optical, and thermoelectric properties of KMCuS (M = Th and Sm) quaternary chalcogenides.

Copper-based quaternary chalcogenides are considered as intriguing material systems in terms of their remarkable optoelectronic and thermoelectric properties. Here we investigated the light interaction and electronic transport properties of novel KMCuS (M = Th, Sm) materials. Advanced computations based on density functional theory were used for these calculations.

High performance BO/MWCNTs and TiB/MWCNTs nano-adsorbents for the co-sorption of cyanide and phenol from refinery wastewater.

The refinery industry has witnessed tremendous activity aimed at producing petrochemicals for the benefit of the teeming populace. These activities are accompanied by the discharge of wastewater containing chemical substances and elements that have negative impacts on the ecosystem. The presence of phenol and cyanide contaminants in refinery wastewater poses serious health hazards to humans, necessitating their removal.

Exploiting spirooxindoles for dual DNA targeting/CDK2 inhibition and simultaneous mitigation of oxidative stress towards selective NSCLC therapy; synthesis, evaluation, and molecular modelling studies.

The unique structure of spirooxindoles and their ability to feature various pharmacophoric motifs render them privileged scaffolds for tailoring new multitarget anticancer agents. Herein, a stereoselective multicomponent reaction was utilized to generate a small combinatorial library of pyrazole-tethered spirooxindoles targeting DNA and CDK2 with free radical scavenging potential as an extra bonus. The designed spirooxindoles were directed to combat NSCLC inducing apoptosis and alleviating oxidative stress.

σ-Hole, lone-pair-hole, and π-hole site-based interactions in aerogen-comprising complexes: a comparative study.

Herein, the potential of ZO and ZF aerogen-comprising molecules (where Z = Ar, Kr, and Xe) to engage in σ-, lp-, and π-hole site-based interactions was comparatively studied using various computations. For the first time, a premier in-depth elucidation of the external electric field (EEF) influence on the strength of the σ-, lp-, and π-hole site-based interactions within the ZO/ZF⋯NH and ⋯NCH complexes was addressed using oriented EEF with disparate magnitude. Upon the energetic features, σ-hole site-based interactions were noticed with the most prominent preferability in comparison to lp- and π-hole analogs.

MXene, protein, and KCl-assisted ionic conductive hydrogels with excellent anti-freezing capabilities, self-adhesive, ultra-stretchability, and remarkable mechanical properties for a high-performance wearable flexible sensor.

Developing a hydrogel with switchable features and freeze tolerance is remarkably significant for designing flexible electronics to adjust various application needs. Herein, MXenes, AFPs (antifreeze proteins), and potassium chloride (KCl) were introduced to a polyacrylamide (PAM) polymer network to design an anti-freezing hydrogel. The ionic hydrogels are characterized by excellent ionic conductivity, presenting adjustable properties of remarkable mechanical strength and self-adhesion to meet individualized application demands.

2D arrays of hollow carbon nanoboxes: outward contraction-induced hollowing mechanism in Fe-N-C catalysts.

Maximizing the utilization efficiency of monatomic Fe sites in Fe-N-C catalysts poses a significant challenge for their commercial applications. Herein, a structural and electronic dual-modulation is achieved on a Fe-N-C catalyst to substantially enhance its catalytic performance. We develop a facile multi-component ice-templating co-assembly (MIC) strategy to construct two-dimensional (2D) arrays of monatomic Fe-anchored hollow carbon nanoboxes (Fe-HCBA) a novel dual-outward interfacial contraction hollowing mechanism.

Silver incorporated SeTe nanoparticles with enhanced photothermal and photodynamic properties for synergistic effects on anti-bacterial activity and wound healing.

Bacteria invade the host's immune system, thereby inducing serious infections. Current treatments for bacterial infections mostly rely on single modalities, which cannot completely inhibit bacteria. This study evaluates the therapeutic potential of SeTe-Ag NPs, designed with excellent photo responsiveness, with a particular focus on their dual-action antibacterial effect and wound healing properties.

Exploring half-metallic ferromagnetism and thermoelectric properties of TlWX (X = Cl and Br) double perovskites.

Half-metallic semiconductors typically exhibit 100% spin polarization at the Fermi level which makes them desired materials for spintronic applications. In this study, we reported a half-metallic ferromagnetic nature in vacancy-ordered double perovskites TlWX (X = Cl and Br). The magnetic, electronic, and thermoelectric properties of the material are studied by the use of density functional theory (DFT).

Synthesis of dimeric 1,2-benzothiazine 1,1-dioxide scaffolds: molecular structures, Hirshfeld surface analysis, DFT and enzyme inhibition studies.

1,2-Benzothiazines are bioactive compounds with diverse pharmacological properties. We report here the synthesis of a series of dimers containing 1,2-benzothiazine scaffolds as potential pharmacophores. The characterization of compounds was done using analytical techniques such as FT-IR, H NMR, and elemental analyses.