ChemistryOpen最新文献

Pseudo-rotaxanes are reversibly interlocked molecules with at least one linear molecule threaded into a macrocycle and, contrary to rotaxanes, an advantageous ability to be dissociated. Cyclodextrins constitute attracting macrocyclic host entities to build such dynamic structures for their oligosaccharide nature, conic shape, amphiphilic character and biocompatibility. Here we show that using an azobenzene DNA intercalator as a guest allows to build a pseudo-rotaxane combining several remarkable properties, including light-controlled assembly/disassembly, photoreversible chirality and fluorescence, as well as the capability to affect the melting temperature of double-stranded DNA through intercalator host–guest complexation.

Amorphous and crystalline nickel-based metal-organic frameworks (Ni-MOFs) were prepared via a one-pot synthesis at room temperature in methanol using 2-methylimidazole as a ligand. The crystallinity was adjusted by varying the solvent volume, yielding an amorphous phase with higher surface area (≈242 m²g⁻¹) and a crystalline form with reduced porosity (≈22 m²g⁻¹). Comprehensive structural, morphological, and spectroscopic analyses confirmed distinct coordination environments, particle sizes and colloidal behaviors. Gas sorption measurements revealed enhanced CO₂ uptake in the amorphous Ni-MOF (≈9.5 cm³g⁻¹) compared to the crystalline sample (≈3.4 cm³g⁻¹), consistent with its greater pore volume and surface area. Photocatalytic degradation of methyl orange under 365 nm UV irradiation demonstrated faster activity for the amorphous material, with a pseudo-first-order rate constant of 0.0157 min⁻¹ versus 0.0035 min⁻¹ for the crystalline sample. These findings suggest that structural features such as higher surface area, pore volume, and possible disorder contribute to the improved gas sorption and photocatalytic response. The use of mild reaction conditions and a single solvent system offers a straightforward and energy-efficient approach for preparing functional MOFs with tunable crystallinity, applicable in environmental remediation contexts.

Incorporating deep eutectic solvents (DES) into polymer-based drug delivery systems (DDS) presents a novel approach to addressing persistent pharmaceutical issues, including low solubility, restricted bioavailability, and unregulated drug release. As environmentally friendly, adjustable, and biocompatible alternatives to traditional organic solvents and ionic liquids, DES possess distinctive physicochemical characteristics—such as strong hydrogen-bonding ability, low volatility, and structural flexibility—that make them effective as functional excipients. This review consolidates a contemporary understanding of the formulation and performance of polymeric matrices containing DES, highlighting their capacity to alter drug release kinetics, improve solubility, and facilitate dual-function systems like therapeutic DES (THEDES). A comprehensive overview of the various types of DES and polymeric carriers, their methods of integration, associated physicochemical effects, and drug release mechanisms is provided. Furthermore, the outline problems associated with stability, sterilization, and regulatory considerations. In addition, the most prospective future uses of DES–polymer systems is examined in stimuli-responsive systems, 3D-printed scaffolds, and advanced tailored medicine. This article supports the broader polite investigation of polymers and DES in polymeric systems in DDS as a significant step toward safer, more environmentally friendly, high-efficiency pharmaceutical technologies.

This study investigates the single-crystal-to-single-crystal (SCSC) transformations of a copper(II) complex, [Cu(L1)₂(acac)₂]·2CH₃OH (1), with an octahedral coordination geometry. The complex is synthesized using L1 (6-phenyl-1,3,5-triazine-4,2-diamine; C₉H₁₈N₅) and copper acetylacetonate. In this structure, copper is coordinated to four oxygen atoms from two monoanionic acetylacetonate (acac) ligands and two nitrogen atoms from two neutral L1 ligands. The transformation of complex 1 into complex 2 is achieved by heating at 80 °C for 48 h, leading to the removal of methanol. This elimination facilitates the formation of direct hydrogen bonds between the NH₂ groups and nitrogen atoms of adjacent triazine rings, establishing a network of intermolecular interactions. Structural analysis revealed a 0.2 Å elongation of the copper–nitrogen bond in the L1 ligand as a result of methanol removal. Complementary characterization techniques, including FTIR, UV–vis spectroscopy, and Hirshfeld surface analysis, are employed to further elucidate the transformations. The impact of methanol elimination on the crystal structure is assessed, highlighting the changes in intermolecular interactions.

Herein, a series of novel 5-hydroxymethylfuran incorporated thiazole-based furan derivatives are synthesized and characterized. The in vitro inhibitory potentials of the derivatives against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) are evaluated. In addition, the inhibitory potential of the thiazole-based furan derivatives against AChE (4EY7) and BChE (4BDS) proteins is examined as in silico. For this purpose, the effects of the compounds on human metabolism are evaluated with absorption, distribution, metabolism, excretion, and toxicity programming. Furthermore, their antioxidant potential is assessed through 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) radical scavenging assays. The enzymatic inhibition studies reveal that all compounds exhibit inhibitory effects on both AChE and BChE. Among them, compound 2b demonstrates the most potent inhibition against AChE, with a K_I value of 14.887 ± 1.054 μM, whereas compound 2f exhibits the highest inhibitory activity against BChE, with a K_I value of 4.763 ± 0.321 μM. Compounds 2a (12.202% for DPPH and 56.842% for ABTS) and 2i (13.309% for DPPH and 31.842% for ABTS) are among the most active compounds for both radical scavenging tests. These findings highlight that the synthesized derivatives possess promising dual cholinesterase (ChE) inhibitory activity as well as radical scavenging potential. These activities emphasize their potential as therapeutic candidates for neurodegenerative disorders such as Alzheimer's disease.

A modified gold electrode with metal-organic frameworks (MOFs), quantum dots (QTs) and their composite are fabricated to determine bisphenol A. The chemically modified sensors are characterized using ultraviolet-visible, Fourier transform infrared spectroscopy spectra, X-ray diffraction, scanning electron microscopy, and ransmission electron microscopy. Upon examining the electrochemical characteristics of the fabricated sensors, it is discovered that the QDs@MOFs conjugate performs better than the metal-organic frameworks and quantum dots, which could be attributed to the better conductivity of the conjugate. The effects of pH, accumulation time, and sensor concentration are studied at optimal condition. Over a wide range of bisphenol A (BPA) concentrations (1 μM–14 μM), the limit of detection is found to be 0.470 μM and the limit of quantitation is 1.425 μM. The results indicate that the electrochemical sensor fabricated from composite modified gold electrode is efficient for the detection of bisphenol A. The stability and reproducibility of the sensor are also evaluated.

E-textile technologies are quickly advancing, but the power supply is still one of the limiting factors, particularly for those integrated into textiles. There is a pressing demand for flexible textile-based microdevices capable of storing and supplying energy. In this work, it is demonstrated that laser ablation (LA) can be conveniently used to achieve patterned thin film electrodes with interdigitated configuration on TPU-coated cotton fabric to produce textile-based energy storage units. Namely, Ti3C2 MXene (MX) electrodes were patterned via LA and coated with a LiCl based UV-curable gel polymer electrolyte to produce a textile-based flexible symmetrical capacitor. It is also shown that the LA process should be carefully designed to prevent electrode degradation during the process itself. The capacitance of textile-based MX symmetrical capacitors (MX Sy-Cs) ranged from 11.7 mF cm^-2 to 0.53 mF cm^-2 depending on the scan rate. By galvanostatic cycling at 100 µA cm^-2, the average capacitance was 2.03 mF cm^-2 with the C/C₀ = 0.8 condition found after 9025 cycles. Moreover, an array of textile-based MX Sy-Cs is demonstrated to be compatible with low power textile energy storage applications.

The current study reports a convenient synthetic approach to carboxamide hydrazone hybrids 2a, b. Their chemical structures are investigated using infrared, nuclear magnetic resonance, and mass spectroscopies. In addition, the 3D structure of 2a is explored using single-crystal X-ray analysis, while the important intermolecular contacts are described based on the Hirshfeld analysis. Fukui function, highest occupied molecular orbital-lowest unoccupied molecular orbital, molecular electrostatic potential, and Mulliken charge analysis reveal distinct electrophilic and nucleophilic regions of hydrazone 2a, and support its stability and moderate chemical reactivity. Their antimicrobial potency is also evaluated against six microbial strains. Compound 2b shows significant antibacterial activity against Staphylococcus aureus compared to Gentamicin.

The therapeutic application of flavonoids is limited by their low solubility, bioavailability, and metabolic stability. This study evaluates the peroxisome proliferator-activated receptor gamma (PPARγ) agonistic activity of two geranylated flavonoids from Paulownia tomentosa, mimulone and diplacone, and compares the efficacy of different nanoparticle delivery systems, including liposomes and cyclodextrins, in preserving their biological activity. Using the PPARγ CALUX reporter gene assay, it is shown that mimulone dissolved in DMSO and incubated with cell culture activates the PPARγ pathway, resulting in 2.97-fold and 3.9-fold increases in luciferase activity at concentrations of 5 and 2.5 μM, respectively. Diplacone, however, shows significant cytotoxicity, with an average cell viability of about 10% at 10 μM. Encapsulation in anionic, cationic, and neutral liposomes results in a significant reduction of biological activity of both flavonoids, with the best formulation (anionic liposomes) preserving only 54% of mimulone's activity. In contrast, hydroxypropyl-β-cyclodextrins (HP-β-CDs) retain up to 91.5% of mimulone's biological activity and significantly improve the viability profile of diplacone, maintaining cell viability at ≈100%. The performance of the HP-β-CDs can be attributed to their ability to form stable inclusion complexes with hydrophobic molecules. These results suggest that cyclodextrin-based delivery systems might effectively address solubility and stability challenges associated with flavonoid therapy.

The development of high-performance electrocatalysts for oxygen evolution reaction (OER) is still a challenge to produce green hydrogen. Thus, herein, a new bifunctional metal–organic frameworks (MOF)-derived CuCo₂O₄ is obtained, applied as OER electrocatalyst and electrode for supercapacitors. All physicochemical and morphological characterization indicates the formation of a pure spinel structure CuCo₂O₄ crystalline phase and coral reef-like morphology. X-ray photoelectron spectroscopy data showed major presence of Co³⁺ and Cu⁺ ions on the surface and high concentration of oxygen vacancies. OER electrocatalytic assays conducted in alkaline medium (1.0 M KOH) show a reduced overpotential (η) of 317 mV at 10 mA cm⁻² and Tafel slope of only 49 mV dec⁻¹, besides excellent electrochemical stability up to 12 h. The material is also studied for supercapacitors applications via cyclic voltammetry (CV) and galvanostatic charge–discharge (GCD) analysis. CuCo₂O₄ material presents specific capacity near 75 C g⁻¹, at least ≈2.8 times higher than pristine CuO and Co₃O₄ at 1 A g⁻¹. This results indicate the MOFs-derived CuCo₂O₄ as a promising bifunctional material for energy conversion and storage.