ChemistrySelect最新文献

A series of E-stilbene-based hybrid structures were synthesized via a multistep route using the Mizoroki–Heck reaction to install the E-stilbene core. The compounds, structurally confirmed by FT-IR, ¹H NMR, ¹³C NMR, and mass spectrometry, were evaluated as dual inhibitors of carbonic anhydrase-I (CA-I) and thymidine phosphorylase (TPase), enzymes pivotal in tumor survival and progression. Among the synthesized series, the compounds 4a and 5a showed remarkable biological activity against TPase, while compounds 3b and 3c showed strong CA-I inhibition in in vitro assays. Overall, the synergistic inhibitory activity of compounds 3a, 3c, 5a, and 5b against CA-I and TPase suggests a coordinated dual enzyme targeting strategy capable of perturbing tumor homeostasis and impairing DNA synthesis pathways. This study underscores the potential of E-stilbene-hybrid structures to disrupt tumor, pH regulation and nucleotide metabolism, offering a strategy to combat cancer progression by crippling dual enzymatic pathways critical for malignancy treatment. Molecular docking revealed binding affinities and molecular dynamics simulations highlighted interactions with catalytic residues of both enzymes, rationalizing the observed potency.

The present study focuses on the green synthesis of selenium nanoparticles (SeNPs) using pollen grain extract of Typha angustifolia and the evaluation of their Ct-DNA binding, antioxidant, antibacterial, and anticancer activities. The synthesized SeNPs were characterized using UV–Vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), x-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), and energy dispersive x-ray analysis (EDAX). The results confirmed the successful formation of SeNPs, which were predominantly spherical in shape with particle sizes ranging from 10 to 30 nm. Furthermore, the FTIR spectrum revealed the presence of various functional groups derived from the plant extract, which likely played a crucial role in the reduction and stabilization of SeNPs. The SeNPs displayed strong antibacterial activity against pathogenic bacteria and moderate DNA-binding affinity (K = 5.17 × 10²). They also exhibited notable antioxidant activity with an IC₅₀ of 213.33 µg/mL in the DPPH assay, indicating a dose-dependent free radical scavenging effect. Additionally, anticancer activity against MCF-7 breast cancer cells was observed with an IC₅₀ of 137.5 µg/mL. These findings suggest that biosynthesized SeNPs possess significant antioxidant, antibacterial, and anticancer properties, making them promising prospects for future therapeutic applications.

Lignin, a crucial natural aromatic polymer, presents a pivotal challenge in achieving high-value utilization of biomass through depolymerization into aromatic compounds. To address the limitations of conventional lignin depolymerization processes, including harsh reaction conditions, poor catalyst recovery, and low product selectivity, this study establishes a green oxidative system based on the synergistic interaction between the magnetically separable spinel-structured MgFe₂O₄ and hydrogen peroxide (H₂O₂), systematically investigating its catalytic performance for enzymatic hydrolysis lignin (EHL) depolymerization. The MgFe₂O₄ was synthesized via a solvothermal method, demonstrating excellent catalytic activity. Under optimized reaction conditions (10% H₂O₂, 0.075 g catalyst, 80°C, 4 h), the lignin oil yield reached 51.30%, with significantly enhanced aromatic monomer selectivity of 134.2 mg/g. Moreover, the products exhibited a notable reduction in molecular weight along with increased phenolic hydroxyl and carboxyl group contents. Based on the Fenton-like mechanism involving the dynamic Fe³⁺/Fe²⁺ redox cycle, a regulation pathway of reactive oxygen species was proposed. Additionally, the catalyst exhibited exceptional stability with 88.9% retention of initial activity after four magnetic separation cycles. This work proposes a green catalytic strategy integrating high activity, selectivity, and recyclability for efficient lignin depolymerization, providing critical insights for advancing biomass refining technologies.

In this study, a high-performance heterogeneous nanocatalyst was synthesized by anchoring silver nanoparticles onto SBA-15 mesoporous silica modified with ionic liquids. The material was comprehensively analyzed through several analytical instruments, including X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDX), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), wavelength dispersive X-ray spectroscopy (WDX), inductively coupled plasma optical emission spectroscopy (ICP-OES), and Brunauer–Emmett–Teller (BET) surface area analysis. These analyses confirmed the uniform dispersion and strong interaction of silver nanoparticles with the functionalized SBA-15 support. The catalytic efficiency of the synthesized material was tested through the reduction of 4-nitrophenol to 4-aminophenol under mild aqueous conditions. The catalytic enhancement is due to the synergy between ionic liquid functionalities and silver nanoparticles, which facilitates efficient electron transfer. The highest efficiency was observed with 3.0 mg of catalyst, achieving more than 97% conversion within 4 min.

This study presents, for the first time, the green synthesis of zinc oxide nanoparticles (ZnO NPs) using piperonylic acid (PA), a naturally occurring aromatic phytochemical, as a dual reducing and stabilizing agent. The functional groups of PA facilitated the biogenic reduction of Zn²⁺ ions and effective surface capping of the nanoparticles. The synthesized ZnO NPs were systematically characterized using transmission electron microscopy (TEM), EDAX, zeta potential analysis, particle size analysis, UV–visible (UV–Vis) spectroscopy, and attenuated total reflectance–infrared (ATR–IR) spectroscopy. TEM revealed predominantly spherical particles with sizes below 100 nm, whereas EDAX confirmed the presence of only zinc and oxygen, indicating high elemental purity. ATR–IR spectra showed a characteristic Zn–O stretching vibration at 630.73 cm⁻¹, supporting successful nanoparticle formation. The measured zeta potential indicated moderate colloidal stability. The biosynthesized ZnO NPs demonstrated moderate antibacterial activity against Staphylococcus aureus, with a minimum inhibitory concentration (MIC) of 6.25 µg. Overall, this work highlights the novelty of piperonylic-acid-mediated ZnO NP synthesis and suggests their potential utility in biomedical and cosmetic applications due to their eco-friendly fabrication and promising biological activity.

Probiotics and their metabolites offer specific benefits for managing dental caries by suppressing pathogenic oral bacteria; however, their therapeutic potential is often limited by a short residence time at the site of action. In this study, citric acid–cross-linked mucoadhesive pectin microparticles encapsulating Lactobacillus casei (L. casei), glycyrrhizin (GL), and vitamin D₃ (VD) were developed using an ionotropic gelation approach. The microparticles were systematically characterized for physicochemical compatibility and thermal stability to ensure suitability for oral therapeutic applications. Scanning electron microscopy (SEM) and rheological analysis of the optimized formulation confirmed spherical particles with required flow properties. GL release followed a controlled-release profile, reaching approximately 79.61% over 6 h, while x-ray radiographic imaging demonstrated an in vivo retention time of up to 6 h, indicating effective mucoadhesion. The formulation exhibited significant anti-inflammatory activity in both in vitro and in vivo models, suggesting its potential to mitigate periodontal inflammation. Moreover, the optimized microparticles showed enhanced antibacterial efficacy against Staphylococcus aureus (S. aureus) and Streptococcus mutans (S. mutans), supporting their utility in managing cariogenic and periodontal pathogens. Overall, these mucoadhesive pectin-based microparticles, co-delivering L. casei, VD, and GL, present a promising multifunctional therapeutic platform that combines controlled release, anti-inflammatory action, and antibacterial effects for effective management of periodontal infections.

Malachite green (MG) is particularly concerning due to its environmental persistence and acute toxicity to a wide range of aquatic and terrestrial organisms. For the refinement of water, we introduce a novel adsorbent, activated carbon derived from waste biomass of Lima bean pods synthesized and combined with Al₂O₃ material to form the composite. This novel adsorbent is utilized to remove hazardous MG dye from aqueous solutions in batch mode experiments. The results indicated that the composite achieved an impressive removal efficiency of 99.43%. The composite's maximum adsorption capacity could reach 1250 mg g⁻¹ at a pH of 8, with an adsorbent dosage of merely 0.03 g L⁻¹. The optimal contact time for achieving maximum dye removal was determined to be 135 min at 298 K. Characterization of the synthesized composite was conducted using XRD, FT-IR, RAMAN, SEM, EDS, and BET techniques. The adsorption process conformed to pseudo-second-order kinetics and the Freundlich isotherm, indicating physisorption. The thermodynamic analysis demonstrated that the adsorption process was spontaneous and exothermic. Additionally, the material exhibited good recyclability, and the phytotoxicity study reveals successful removal of the dye from the solutions. Adsorbent has shown antimicrobial properties toward Escherichia coli (E. coli). It may be concluded that, current adsorbent is best versatile adsorbent.

Enterococcus faecium, a significant nosocomial pathogen, has emerged as a critical global health threat due to its increasing resistance to conventional antibiotics, particularly vancomycin. This study focuses on the identification of a phytochemical-based drug candidate targeting the antibiotic-resistance gene hylEfm, which encodes a putative glycoside hydrolase protein in E. faecium, using in silico methods. The physicochemical properties of the protein, determined using ExPASy, suggested that the protein is stable. Protein flexibility analysis using CABS-flex 2.0 indicated acceptable structural dynamics. We selected 30 phytochemicals from PubChem and screened them against the putative glycoside hydrolase protein. Epigallocatechin (EGC) emerged as the lead candidate, demonstrating a binding energy of −7.4 kcal/mol and strong interactions with the protein. EGC physicochemical and pharmacokinetic properties, including high absorption, good water solubility, and low predicted toxicity, were evaluated using SwissADME and ProTox (version consistent with the manuscript). Molecular dynamics simulation suggested stability of the protein–ligand complex with an average root mean square deviation (RMSD) of 2.5 Å, root mean square fluctuation (RMSF) values of 1–2 Å, and a radius of gyration (R_g) ranging from 26.30 to 27.40 Å, indicating a compact structure. Molecular mechanics/generalized born surface area (MM/GBSA) and molecular mechanics/Poisson–Boltzmann surface area (MM/PBSA) energies of −34.5737 and −4.982 kcal/mol, respectively, indicate favorable electrostatic interactions between the glycoside hydrolase protein and EGC. Overall, the results indicate EGC as a promising and potentially safe drug candidate for targeting MDR E. faecium; however, these findings require in vitro and in vivo validation.

This study explores the use of reline (choline chloride–urea combination), a deep eutectic solvent (DES), in the synthesis of polyhydroxyurethanes through step-growth polymerization between a polycarbonate and a diamine. The performance of reline was compared to that of ZnCl₂/urea DES and MeCN as a typical conventional solvent, demonstrating its superiority in both conversion efficiency (Conv. > 99%) and molar mass (M_n 10% higher than that obtained with the two other solvents) of the resulting polymer. The versatility of the method was evaluated by testing various bis-cyclic carbonates and primary diamines, revealing differences in reactivity, number-average molar mass, and glass transition temperature values of the obtained polymers. Finally, a representative reaction was successfully scaled up, demonstrating the practical applicability of the methodology, albeit with some challenges related to heat transfer.