New Journal of Chemistry最新文献

Benzoquinone was introduced into N,N,N′,N′-tetra(4-aminophenol)-1,4-phenylenediamine (TAPA) to obtain an organic polymer (N4HQ) by irradiation using a microwave method. N4HQ changes from bulk to dispersed particles after long cycling, which is conducive for inserting/extracting Zn²⁺ ions. There are abundant –CO groups in N4HQ to capture Zn²⁺, enabling a high charge storage capacity for zinc-ion batteries (ZIBs). The N4HQ electrode delivers a high initial discharge capacity of 166 mA h g⁻¹ at 0.5 A g⁻¹ without obvious capacitive decay after 10 000 cycles at 1 A g⁻¹.

Leaf-cutting ants present a significant challenge in tropical countries. Currently, these insects are often controlled using chemical granular baits. While these granules are cost-effective, they have notable drawbacks, particularly their low resistance to humidity. Therefore, there is a need for the development of new formulations that offer improved environmental resilience, gradual release of the active chemical, and effective ant-killing capabilities. This study aimed to create new baits in bead form specifically designed to control leaf-cutting ants (Atta sexdens). The beads were produced through the interaction of organic and inorganic materials, using a mixture of an alginate polymer, clay, sodium tetraborate, Beauveria bassiana spores, and chlorpyrifos. Results from experiments on boron leaching in soil columns indicated that in some cases, 100% of boron leached out after 15 days. Laboratory and field bioassays demonstrated that the beads were attractive and effective in controlling ants. Composites of alginate–kaolinite beads with agrochemicals demonstrated potential as an effective bait option for controlling A. sexdens, performing significant ant-killing results. Composites of alginate–kaolinite beads with agrochemicals demonstrated potential as an effective bait option for controlling A. sexdens, yielding significant ant-killing effects.

Effective charge separation and sufficiently exposed active sites are both critical limiting factors for solar-driven photocatalytic technology. In this paper, 2D oxygen-doped ultrathin porous g-C₃N₄ (UCN) and 2D ZnIn₂S₄ heterojunctions (UCN-ZIS) are formed by a high-temperature calcination-oil bath method. UCN with a highly ordered 2D heptazine structure within the layers has a suitable energy band structure, while the expansion of the interlayer spacing facilitates the acceleration of electron transfer for the construction of heterojunctions. During the in situ growth process, ZIS is uniformly distributed as ultrathin nanosheets on the high surface area of UCN. The optimised UCN-ZIS photocatalytic degradation of methyl orange reaches 99.4% efficiency (60 min), and the hydrogen precipitation activity reaches 1125.7 μmol g⁻¹ h⁻¹, which is 4.61 times higher than that of pure ZIS, and this heterojunction possesses good photostability. This work contributes to the development of an efficient photocatalytic system with dual functions of hydrogen precipitation and organic pollutant degradation.

Finding organic nanostructures exhibiting luminescent behavior is a relevant issue in the development of functional molecules. In this context, the possibility of incorporating them into the architecture of organic light-emitting diode (OLED) devices has been investigated to improve their efficiency and photophysical stability for predicting the suitability of the emissive material. Herein, we unraveled the excitation mechanism and the role of the coupling constant in an uncommon planar structure. Intersystem crossing (ISC) represents a necessary process, so understanding the rate constant allows assessment of the suitability of a material. We calculated the ISC and reverse rates for hexamethylazatriangulene-triazine HMAT-TRZ (1a) and its functionalization with an iodide-atoms counterpart HMAT-TRZ-I₂ (1b), thereby uncovering the role of the heavy atoms. Our results account for moderate singlet–triplet gaps, ΔE_ST (0.1–0.2 eV). Moreover, HMAT-TRZ-I₂ enhanced the spin–orbit parameter, which accounted for ISC rates at the μs scale, and thus improved their luminescent characteristics. Calculations were conducted using time-dependent density functional theory, with the PBE0-D3 level providing an accurate response for the large molecules studied herein.

The contamination of freshwater with harmful antibiotic pollutants has driven researchers to create new, efficient, and affordable water purification methods and materials. As a result, photocatalysis has emerged as a highly efficient method for addressing environmental remediation. The green synthesis of photocatalysts using plant extracts is regarded as a prominent method in materials synthesis that promotes environmental sustainability. Herein, this work presents the novel green synthesis of Gd-doped TiO₂ nanoparticles via the hydrothermal method using Piper betel leaf extract. The structural, morphological, and optical properties of the synthesized nanoparticles were studied in detail by various characterization techniques, and their photocatalytic activity in the degradation of tetracycline (TC) under visible light irradiation was tested. The response surface methodology (RSM) based on central composite design (CCD) was employed to examine the effect of experimental variables on the removal of TC. The obtained results indicate that the predicted outcomes using RSM closely matched the experimental outcomes with a correlation coefficient (R²) of 0.9746. The maximum removal efficiency for the GdT_0.8 sample was found to be 93.08% within 80 min of light irradiation as compared to TiO₂ doped with other metals and TiO₂ nanocomposites and the sample also exhibited good reusability up to four cycles under optimum conditions (catalyst dose = 22.50 mg, initial TC concentration = 18.25 ppm, and pH = 5.02). All degradation kinetics were well-fitted to the pseudo-first-order model. This enhanced photocatalytic activity was mainly due to the higher surface area, larger optical adsorption, and greater photo-induced charge carrier transfer. Additionally, the degradation pathways and degradation mechanisms of TC by Gd-doped TiO₂ were also proposed. Thus, the above findings demonstrated that the experimental design is an effective approach for variable optimization and modeling.

This review provides a comprehensive and well-structured analysis of magnetic hyperthermia therapy (MHT) as a potential cancer treatment. It begins by discussing the causes and symptoms of cancer, highlighting the significance of effective treatment strategies, such as hyperthermia. The review emphasizes the crucial role of functional magnetic nanomaterials in MHT, exploring the various types available. It also briefly highlights different methods for synthesizing magnetic nanomaterials with physicochemical properties optimized for MHT. Furthermore, recent findings on nanomaterials that enhance key variables promoting the therapeutic use of MHT are presented. The importance of biocompatible materials in MHT is discussed, along with a collection of relevant, up-to-date data. Additionally, the review explains methods for evaluating the hyperthermia potential of these nanomaterials, with supporting evidence from both in vivo and in vitro studies demonstrating their efficacy. This review highlights advances in therapeutic MNPs, focusing on synthesis methods, magnetic properties, and biomedical applications. Looking ahead, the review outlines future perspectives for MHT, stressing the need for advancements in nanomaterial design, improved targeting strategies, and integration with other treatments, such as chemotherapy and radiation therapy. These improvements could lead to more effective and personalized cancer therapies. Continued research in these areas is expected to further enhance the clinical application and therapeutic outcomes of MHT in cancer treatment.

In recent years, organic solar cells (OSCs) have developed rapidly. Among the various active layer materials, non-fullerene acceptor materials exhibit a well-defined chemical structure, easily controllable energy levels and absorption, and a unique electron cloud distribution, making them a prominent research focus. Through molecular design, a series of acceptor–donor–acceptor (A–D–A) small molecule acceptor (SMA) materials have been developed. These materials, composed of an intermediate core, alkyl side chain groups, and terminal groups, possess more suitable absorption spectra and can effectively regulate the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of the acceptor material. This optimization enhances their energy level and absorption spectra alignment with the donor material and improves the photoelectric conversion efficiency. Notably, the introduction of aromatic heterocycles into the terminal groups represents an effective modification strategy. The incorporation of aromatic heterocycles can influence the electron cloud distribution of the terminal groups, exciton dissociation, and charge transport, leading to varying optoelectronic properties of non-fullerene small molecules. In this paper, we designed and synthesized two new SMA materials, BO-ICTTh and BO-ICTFr, by attaching thiophene and furan rings to the terminal groups of the acceptor materials through a Stille coupling reaction. We investigated the optical, electrochemical, and photovoltaic properties of these materials.

The broad spectrum of applications of so-called ‘devil's venom’ (hydrazine hydrate) has resulted in its entry into the soil and water, but it is a pollutant to the ecosystem and human health. Thus, capable monitoring techniques for hydrazine hydrate (Hz) are a hot research topic in environmental remediation. Small-molecular-probe-based fluorescence detection methods are usually established due to their simplicity and sensitivity. In the present manuscript, we demonstrate that ethyl-2-cyano-3-(naphthalene-1-yl)acrylate (ECNA) is an economical, easy-to-synthesize/commercially available chemodosimeteric probe for the effective detection of toxic Hz via absorption, emission spectroscopy and fluorescence photography methods. The detection mechanism has been confirmed by Fourier transform infra-red (FTIR), time-dependant density functional theory (TD-DFT), and mass spectroscopy (MS) studies. Paper strip, spray analysis and spot-test-based approaches have been employed to detect Hz. In addition, the vapour of aqueous Hz has been detected using ECNA-coated thin-layer chromatography (TLC) plates and paper strips. The ECNA powder exhibits a drastic colour change in response to Hz, and reveals a fluorescence ‘turn-off’ response. The bright fluorescence of ECNA is quenched ∼14 fold with a ∼20 nm blue shift in the presence of ∼1.6 μM of Hz. 1 : 1 ECNA : Hz binding with a K_b value of 3.35 μM⁻¹, a superior limit of detection (LOD) of 3.077 nM, and a favourable pH range were obtained. ECNA is a quick, real-time/on-site, easy-to-handle, selective, sensitive and cost-effective fluorescent probe for the proficient detection of Hz by the naked eye.

Influenza, driven by highly mutable RNA viruses, poses a major global health threat, exacerbated by the frequent emergence of antiviral resistance. To tackle this challenge, we developed hydrophobic tag tethering degradation (HyTTD) technology to enhance the efficacy of oseltamivir against resistant strains. Among these, compound L12, featuring a 1-adamantylamine hydrophobic tag attached via a nine-carbon linker, demonstrated exceptional antiviral activity, with a 157-fold improvement in potency (EC₅₀ = 0.68 μM) against the oseltamivir-resistant H1N1-H274Y strain compared to oseltamivir (EC₅₀ = 106.8 μM), and minimal cytotoxicity at 50 μM. Western blot and immunofluorescence analyses demonstrated that L12 selectively induced the degradation of viral neuraminidase (NA) and inhibited nucleoprotein (NP) expression in a dose-dependent manner. Mechanistic studies revealed that L12 did not interfere with NA synthesis but promotes NA protein degradation through ubiquitination. These results highlight the pioneering application of HyTTD in overcoming antiviral resistance, showcasing it as a powerful platform for future drug development.

Two new Schiff base ligands, H₂L¹ and H₂L², as well as the corresponding Cu(II) coordination complexes, complex 1 and complex 2, were synthesized in this work. A range of spectroscopic methods, such as NMR, UV-Vis, FT-IR, and X-ray diffraction (XRD), were used to thoroughly characterize the ligands and complexes and validate their structural integrity. Their electronic characteristics and nonlinear optical (NLO) behavior were examined through computational investigations, with particular attention paid to linear polarizability, first-order hyperpolarizability, and second-order hyperpolarizability. The findings showed that the free ligands and their complexes with Cu(II) ion differed significantly in terms of their electronic characteristics and NLO responses. The frontier molecular orbital (FMO) and partial density of states (PDOS) analyses corroborated the different electron density distributions which were further revealed by the molecular electrostatic potential (MEP) analysis. The impact of the Cu(II) coordination on the electronic structure and intermolecular interactions was brought to light by studies using the quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO). Further information about the complexes’ molecular stability and possible reactivity was revealed by the reduced density gradient (RDG) and isosurface analyses. The Cu(II) complexes demonstrated enhanced first and second hyperpolarizabilities in terms of NLO properties, with complex 1 displaying the highest values, especially in second-order nonlinear optical processes like electro-optic properties (EOPE) and second-harmonic generation (SHG). These results imply that the Cu(II)-coordinated Schiff base complexes have encouraging potential for use in photonic devices and nonlinear optics. The role of metal coordination in adjusting the optical and electronic characteristics of Schiff base compounds is highlighted by the Cu(II) complexes’ enhanced NLO response when compared to the free ligands.