Chemical Papers最新文献

A series of soft magnetic electroceramics with the general formula Co_0.8Ni_xCu_0.2−xFe₂O₄ (x = 0.00, 0.10, and 0.20) were successfully synthesized via the sol–gel auto-combustion method, and their structural, morphological, magnetic, dielectric, and electrochemical properties were systematically investigated. X-ray diffraction confirmed the formation of a single-phase cubic spinel structure in all samples, while Fourier transform infrared (FTIR) spectroscopy further supported the presence of spinel-type bonds. Scanning electron microscopy revealed porous and agglomerated grain morphologies, and energy-dispersive X-ray (EDX) spectroscopy verified the elemental purity and stoichiometry of the synthesized ceramics. X-ray photoelectron spectroscopy was employed to analyze cation distribution and oxidation states within the spinel lattice. Magnetic properties were evaluated using a vibrating sample magnetometer, and dielectric behavior was examined using an LCR meter across the frequency range of 1 Hz to 10 MHz at room temperature. Electrochemical impedance spectroscopy measurements were performed using a potentiostat galvanostat equipped with a frequency response analyzer, providing insights into charge transfer and ion diffusion behavior. Among the studied compositions, Co_0.8Ni_0.1Cu_0.1Fe₂O₄ exhibited the most favorable combination of magnetic softness, high dielectric constant, low dielectric loss, and characteristic Warburg-type impedance response, indicating efficient ion transport and capacitive behavior. These results highlight its potential as a multifunctional electro ceramic material suitable for use in energy storage devices.

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This work presents an analytical solution to describe lithium-ion transport phenomena in the electrolyte of lithium-ion batteries. The study focuses on key parameters such as lithium-ion concentration, electric field distribution, and ionic flux under realistic discharge conditions. The governing transport equations were solved using the Laplace transform method, which offers explicit and tractable expressions for all target variables. The analysis considers real boundary conditions that reflect practical operation, enhancing the accuracy and applicability of the model. The time-dependent evolution of lithium-ion concentration was examined at different positions within the electrolyte, particularly near the anode and cathode interfaces, under a range of applied current values. The results reveal significant changes in concentration profiles with increasing current, showing stronger gradients and depletion zones near the anode, and corresponding accumulation at the cathode. The electric field and ionic flux were also derived and analyzed under the same current conditions, demonstrating how internal electric forces and ionic transport respond to variations in applied current. This analytical framework improves the understanding of lithium-ion battery behavior and provides a useful tool for predicting performance, reducing safety risks, and improving the design of more efficient and durable battery systems.

ZnMn₃O₄ nanoparticles were successfully synthesized using a simple solution combustion method and subsequently employed as target material for the fabrication of ZnMn₃O₄ thin films using the electron beam evaporation technique. Structural characterization through X-ray diffraction (XRD) and Raman spectroscopy confirmed the presence of characteristic ZnMn₃O₄ peaks, with minor indications of Zn-related phases. Scanning electron microscope (SEM) studies revealed distinct morphological differences between the samples: flake-like grains for the nanopowder and cylindrical grain structures on the surface of thin film. X-ray photoelectron spectroscopy (XPS) analysis confirmed the elemental composition, displaying prominent binding energy peaks corresponding to Zn, Mn, and O. Electrochemical evaluations demonstrated that the ZnMn₃O₄ thin film exhibited enhanced performance, achieving a high specific capacitance of 401 F/g at a current density of 1 A/g, along with notable cycling stability, retaining 78% of its initial capacitance after 5000 charge–discharge cycles. These results highlight the potential of ZnMn₃O₄ thin films for high-performance supercapacitor applications.

Various energy storage materials have been fabricated for electric vehicles and portable devices. Most rely on lithium-ion batteries due to their high energy density, low self-discharge, and long-lasting durability. Lithium (Li) is a vital material used in rechargeable batteries, making it essential for modern energy production and storage. With rising demand and limited supply, lithium has become an economically important resource. In this study, we synthesized LiNi_0.8Zn_0.15Al_0.05O_3-δ (LNZA) structure, in which the ‘O’ site of LNZA is partially substituted by fluorine (F). The materials LiNi_0.8Zn_0.15Al_0.05O_3-δ (LNZA) and LNZAF_0.3 were synthesized using a solid-state reaction and sintered at 520 °C for 5 h. Following cooling, the sintered mixture was grounded uniformly and underwent a second sintering process at 810 °C for 5 h. The physical properties and microstructure of the LNZ and LNZAF materials were analyzed using X-ray diffractometer (XRD) and scanning electron microscopy (SEM). Ohmic conduction is property of conductors, while non-ohmic conduction is linked with nonconductors. However, IV measurements were performed with a Keithley sourceMeter, and the results displayed a semi-linear relationship at consistent intervals. These materials are found ideal choices for energy storage devices, their straight line at different intervals, indicates that they have excellent electrical and charge conduction properties like semiconductor materials.

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Coro-graphene is a two-dimensional carbon-based material with a narrow band gap. It has intriguing electronic characteristics that are more susceptible to external strain and doping, thereby making them an excellent choice for nanoelectronics as well as optoelectronics. We employ Djoković–Winkler relation to characterize the molecular topological networks of the coro-graphene nanosheets through distance-based descriptors. The work presents generalized expressions for distance-based topologies such as Szeged, Padmakar-Ivan, and Mostar types descriptors of coro-graphene nanosheets along with their novel weighted variants. We demonstrate through scaled natural logarithmic topological parameters that the network metamorphosis, irregularity and peripherealities can be characterized which can provide novel insights into reactivities and morphological changes as a function of the topologies of coro-graphenes.

Nitrogen-containing heterocycles are crucial in agrochemicals, material science, pharmaceuticals, and biologicals process, making them a major focus of research and development. The present review outlines recent methods for the synthesis of 1,2,3-triazolines through cycloaddition and their different properties published over the past decade. The supplied data demonstrate the various routes to synthesize 1,2,3-triazolines core such as 1,3-dipolar cycloaddition of azide/alkene or diazo group compound/Schiff base. This highlights the vast potential of these heterocycles derivatives for the design of potent bioactive molecules.

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We examine degree-based topological co-indices in this paper for the network of titanium diboride ((TiB_2)) and statistically analyze them. We examine complexity, connectedness, and stability in the network of ((TiB_2)) using mathematical and computational techniques to identify important co-indices, such as ABC, GA, HM, and other polynomial-based indices. To determine the molecular and structural properties of materials, topological co-indices are needed. The paper emphasizes the relevance of these indices to materials science by examining deeper into correlations between them and the physical properties of ((TiB_2)). The network’s topological structure for titanium diboride can be better explained because of statistical distribution and numerical comparison among these indices. Our results promote computational material design by demonstrating the effectiveness of degree-based topological co-indices in predicting material behaviors.

This study investigates the potential of natural and modified cyclodextrins in forming stable inclusion complexes with nilotinib, a chemotropic drug and tyrosine kinase inhibitor. Computational techniques, including molecular docking and molecular dynamics simulation, evaluate the capability of various natural cyclodextrins (alpha-cyclodextrin, beta-cyclodextrin, and gamma-cyclodextrin) and modified cyclodextrins (random methyl beta-cyclodextrin, amino beta-cyclodextrin, and hydroxypropyl beta-cyclodextrin) to form inclusion complexes with nilotinib. Results from both molecular docking and molecular dynamics simulations confirm stable inclusion complexes formation between nilotinib and all cyclodextrins. However, when nilotinib is included and water molecules are released, there is a reduction in hydrogen bonds formed between solvent molecules and the encapsulated cyclodextrins compared to free cyclodextrins. hydroxypropyl beta-cyclodextrin exhibits the highest number of hydrogen bonds with nilotinib, while alpha-cyclodextrin exhibits the least. The hydroxypropyl groups in hydroxypropyl beta-cyclodextrin can form hydrogen bonds with solvent molecules and the drug, resulting in a higher average number of hydrogen bonds than other cyclodextrins in the inclusion complexe-solvent system. These findings suggest the potential use of hydroxypropyl beta-cyclodextrin formulation to improve bioavailability and enable targeted drug delivery for the treatment of chronic myeloid leukemia, acute lymphoblastic leukemia, and gastrointestinal stromal tumors.

This study aimed to optimize environmental and nutritional conditions for maximum indole-3-acetic acid (IAA) production by a bacterial isolate using Box–Behnken Design (BBD) and evaluate its effect on early growth parameters of Oryza sativa (O. sativa) (rice paddy). Soil isolates were initially screened for IAA production and other plant growth-promoting traits, with isolate UMM1 showing the highest IAA potential. A one-factor-at-a-time (OFAT) approach identified key parameters—carbon source, nitrogen source, and tryptophan concentration—affecting IAA synthesis. Subsequent BBD optimization revealed that dextrose as carbon source, NaNO₃ as nitrogen source, 2-day incubation at 37°C, and varying tryptophan concentrations significantly enhanced IAA production in UMM1. TLC and HPLC analysis confirmed the identity and quality of the synthesized IAA. Greenhouse trials demonstrated that inoculation with UMM1 significantly improved vegetative growth of rice seedlings compared to controls. Molecular characterization by 16S rRNA sequencing identified UMM1 as Brevibacillus borstelensis (B. borstelensis) (PV426447) correlating IAA production with this species. The optimal conditions for maximum indole-3-acetic acid (IAA) production (89.46 μg/ml) were determined as follows: 1 g/ml tryptophan, an incubation period of 2 days, 1.5 g/ml dextrose, 0.4 g/L NaNO₃, and a temperature of 37 °C. These results confirm that BBD is an effective methodology for optimizing bacterial IAA synthesis. Additionally, they underscore the potential of B. borstelensis UMM1 as a bioinoculant for sustainable crop enhancement, which may reduce dependence on chemical fertilizers. This research provides valuable insights into bacterial optimization strategies for agricultural applications aimed at environmental sustainability.

Cancer remains a significant global health challenge, with brain and breast cancers posing considerable obstacles due to their aggressive progression and limited therapeutic options. Exploring natural sources for novel treatments offers a promising avenue for combating these malignancies. Cyanobacteria, traditionally associated with harmful algal blooms, have gained attention for their bioactive compounds with potential therapeutic applications. This study investigates the anticancer potential of cyanobacteria-derived compounds, including L-BMAA, 2,4-DAB, and AEG. Commercially available L-BMAA and 2,4-DAB were utilized, while AEG was synthesized and confirmed via NMR spectroscopy. Cytotoxicity against brain (N2a) and breast cancer (MDA-MB-231) cell lines was evaluated using MTT and trypan blue exclusion assays, revealing significant cytotoxic effects, time-dependent apoptosis induction, and reduced cell viability. Fluorescence staining (AO/EtBr, DCFH-DA, Hoechst, FDA, and Rho-123) indicated increased ROS levels, mitochondrial damage, nuclear envelope disruption, and further reductions in viability. Protein expression analysis demonstrated that 2,4-DAB upregulated pro-apoptotic proteins Bax and caspase-8 while downregulating anti-apoptotic proteins BCL-2 and p-Akt, confirming apoptosis activation. The findings suggest that cyanobacteria-derived neurotoxins, including L-BMAA, 2,4-DAB, and AEG, act as initiators of apoptosis in N2a and MDA-MB-231 cells through modulating apoptotic and anti-apoptotic pathways, highlighting their potential as anticancer agents for brain and breast cancer therapy.