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Background: While machine learning has advanced molecular conformation generation, existing models often suffer from limited generalization and inaccuracies, especially for complex molecular structures. These limitations hinder their reliability in d...

Fabrication of magnetic materials via a facile and environmentally favorable process with high self-heating performance is quite favored for biomedical applications. To tackle this challenge, magnetic ferrite nanoparticles were developed through an u...

Use of the morphotropic phase boundary (MPB) is a promising approach to enhance the electrocaloric effect in ferroelectric polymers. This is usually achieved by a composition method, and polymer processing near the MPB to tune electrocaloric response...

The critical micelle concentration (CMC) is a fundamental physicochemical property of surfactants with significant implications across multiple industries. This paper presents an uncertainty-aware graph neural network (GNN) that integrates molecular...

To reveal the core mechanism of copper-based materials in catalyzing ammonium perchlorate (AP) decomposition, three copper-based materials with the simplest structures (Cu, Cu₂O and CuO) are selected as research objects. This study systematically inv...

Vividly colored cholesteric liquid crystal polymer network (CLCN) patterns based on epoxy resin are used in decorative and anti-counterfeiting applications. These films are typically prepared via cationic photopolymerization and post-polymerization t...

The search for new antibacterial agents is an important task due to the emergence of resistance to widely used drugs. Bromine-, chlorine-, and nitro-substituted phenyl ring azomethines with long alkyl chains (C₁₂, C₁₄, C₁₆, and C₁₈) were synthesized...

In this study, the corrosion behavior of pure aluminum in methyl esters with different degrees of unsaturation and chain lengths, as found in biodiesel, was investigated using electrochemical techniques. The methyl esters evaluated included methyl ac...

The inadequate biosafety of MRI contrast agents (CAs) remains a challenging issue. Both increasing the magnetic relaxivity of CAs and targeting them through conjugation with folates are promising approaches to addressing this issue. Silica nanopartic...

Visible-light photocatalysis enables the integration of classical electrophile/nucleophile chemistry with radical species (free radicals, radical cations, and radical anions) and metallocomplexes, significantly expanding the scope of organic transfor...

Natural plant-based resources are rich in bioactive compounds that offer promising alternatives for developing sustainable, functional textiles. This study focuses on the extraction and application of natural dyes from Gardenia jasminoides as an eco-...

Porous Cu/Cu₂O catalytic materials with a unique pore structure were successfully synthesized via a one-step solvothermal method using Cu-MOF-74 as the intermediate, followed by induced collapse and oxidation. The structural properties and catalytic...

Glycogen synthase kinase-3 beta (GSK-3β) is a multifunctional serine/threonine kinase mediating multiple cellular functions, such as differentiation, apoptosis, and cell proliferation. Because of their ability to alter carcinogenic pathways, GSK...

To address the challenge of removing copper from copper–ammonia complex wastewater in the printed circuit board (PCB) industry, this study employed natural chitosan (CTS) as the base material. Dithiocarbamate (DTC) groups were grafted onto CTS,...

This work reports the synthesis and characterization of a new molecular hybrid 4, created by combining 1,4-naphthoquinone with the drug zidovudine (AZT) through an azide-alkyne cycloaddition reaction catalyzed by Cu¹⁺. In vitro studies assessed the a...

The catalytic hydrogenation of carbon dioxide (CO₂) represents a transformative approach for reducing greenhouse gas emissions while producing sustainable fuels and chemicals, with ethanol being particularly promising due to its compatibility with ex...

Cocoa (Theobroma cacao L.) is an important source of bioactive compounds with high antioxidant capacity and antimicrobial properties. However, these compounds are susceptible to degradation by light, oxygen, pH, and temperature, which limits their fu...

Alkyl-substituted pyridines are ubiquitous structural motifs found in natural products, pharmaceuticals, agrochemicals, and functional organic materials. However, their direct synthesis remains challenging because of the electron-deficient nature of...

Nitrite, as a widely present nitrogen oxide compound in nature, and is extensively distributed in production and daily life; precise and rapid detection of it is of great significance for ensuring human health. This study developed nitrogen-doped car...

A recent theoretical study of CsMnF₄ under pressure presents conclusions on its structural, optical, and magnetic behavior that conflict with established experimental evidence. Crucially, that work omits key prior experimental results on CsMnF₄ and r...

In this paper, characteristic ultraviolet absorption spectra are presented for benzene and chlorobenzene in transparent hexagonal water–ice solutions at temperatures between 273 K and 78 K. In addition, the liquid solution spectra at 292 K have...

A precise characterization of molecular vibrations and thermodynamic properties is essential for applications in spectroscopy, computational modeling, and chemical process design. In this study, the q-deformed Tietz (qDT) oscillator is applied to exa...

Cyclic π-conjugated organic species are classical examples of (anti)aromatic compounds. Two key features that characterize their (anti)aromatic behavior are the aromatic stabilization (or destabilization) energy and the degree of bond-length equal...

Among the most promising alloys for photovoltaic applications is copper–indium–gallium–selenide (CIGS) because of its enhanced optical properties. This study examines the influence of current density and pulse timing on the electrod...

The increasing use of electronic cigarettes (e-cigarettes) highlights the need for accessible and reliable biomarkers to assess nicotine exposure. Fingernails represent a non-invasive and stable keratin matrix capable of capturing the long-term incor...

This study investigates the synthesis and photochemical behavior of a series of (E)-1-aryl-1,3-butadienes with different aromatic substituents. Despite their simple structure and straightforward preparation, detailed studies of their photochemical pr...

This paper presents accurate TD-DFT calculations for several mixed-ligand gold(III) complexes with ligands including Cl⁻, Br⁻, I⁻, OH⁻, and NH₃. The calculated results show excellent agreement with available experimental data....

This study examines the activity coefficients of benzene, toluene, and di-(2-ethylhexyl)phosphoric acid (D2EHPA) in binary benzene–D2EHPA and toluene–D2EHPA systems, as well as the ternary n-hexane–toluene–D2EHPA system, using...

Benzimidazole derivatives are a privileged family of heterocyclic compounds that have remarkable structural diversity and find various pharmacological and industrial applications. In this article, we report on their synthetic procedures, ranging from...

The recycling of spent lithium-ion batteries (LIBs) requires efficient and sustainable methods for recovering critical metals. In this study, the leaching behavior of LiCoO₂ cathode material obtained from spent LIBs was investigated in phosphoric aci...

This study investigated the efficiency of biochar in eliminating Cd(II) and Pb(II) ions from slurries generated from construction-derived waste materials. The construction waste slurry samples consisted of genuinely contaminated sludge sediments. To...

Accurate potential energy surfaces (PESs) are the prerequisite for precise studies of molecular dynamics and spectroscopy. The permutationally invariant polynomial neural network (PIP-NN) method has proven highly successful in constructing full-dimen...

Learning how discoveries in chemistry are made and utilized by the users of innovation in chemistry offers several benefits both to chemistry innovation practitioners and to research policy makers. We study the research and societal impact of three d...

Antibiotic residues such as ciprofloxacin in aquatic systems contribute to antimicrobial resistance and environmental contamination. Conventional treatment processes are often insufficient for removing pharmaceutical contaminants. In this study, acti...

At present, various carbon materials are available as supports for metal-containing catalytic species. Carbon-based materials find application in many industrial heterogeneous catalytic processes, such as selective hydrogenation, oxidation, cross-cou...

The excessive use of tetracycline (TC) poses a severe threat to the health of humans and ecosystems. Environmentally friendly photocatalytic technology can be effectively used to degrade TC. In this study, an Fe-modified UIO-66 (Fe/UIO-66) catalyst w...

This study describes a series of water-soluble half-sandwich ruthenium(II), rhodium(III), and iridium(III) complexes with α-diimine ligands containing substituted aromatic groups. These ligands were derived from glyoxal and 2-aminophenol (a), 4...

The presence of vanadium compounds in heavy oils poses a significant challenge by poisoning and deactivating refining catalysts, making their removal an essential processing step. However, this process is challenged by the competitive adsorption of a...

In this work, nickel oxide nanoparticles (NiO NPs) were synthesized sonochemically in the ionic liquid 1,2-(propanediol)-3-methylimidazolium hydrogen sulfate ([PDOHMIM⁺][HSO₄⁻]) at different loadings (8 wt.%, 15 wt.%, and 30 wt.%), and subseque...

Most reported fluorescent Al³⁺ probes rely on fluorescence signal enhancement or quenching. Since the change in fluorescence intensity is the sole detection signal, various factors such as instrumental efficiency, environmental conditions, and probe...

Cyclo[48]carbon (C48) exhibits an aesthetically pleasant structure featuring a cyclic polyyne, and it serves as a prototypical medium-sized ring that moves us towards an understanding of its overall magnetic behavior in a challenging molecular shape...

The synthesis of novel pyrazole derivatives (SPDs) and their evaluation for antibacterial potential against Escherichia coli (E. coli), Pseudomonas aeruginosa (P. aeruginosa), Staphylococcus aureus (S. aureus), and Streptococcus pneumoniae (S. pneumo...

Hydrogen energy has been regarded as a promising alternative to fossil fuels due to its high energy density and zero-pollution combustion nature. Compared to other hydrogen generation technologies, water electrolysis provides a promising route for hi...

The removal of synthetic dyes from water resources is essential for environmental protection and sustainable water management. This study aimed to develop and evaluate a kaolin-based geopolymer (KBG) for the adsorption of crystal violet (CV) dye from...

This study presents a sustainable and efficient method for fabricating core–shell structured palladium catalysts using a bacterial template and sol–gel synthesis. This synthesis aligns with green chemistry principles by minimizing waste a...

This study reports the design of N- and S-doped ordered mesoporous carbon hollow spheres (OMCHS) as metal-free electrocatalysts for the oxygen reduction reaction (ORR) in alkaline media. Three electrocatalysts were synthesized using molecular precurs...

Adhesives represent an unparalleled material because of their wide utilization in various fields. However, reversible adhesives with recyclability or reprocessability are unexploited yet necessary in practical applications. Mussel-inspired chemistry...

The phase-pure cubic pyrochlore of the Bi₂Cr_0.5Co_0.5Nb₂O_9+Δ composition can be successfully synthesized by a modified sol–gel method (Pecini method-PM) and a traditional solid-phase method (SPM). A feature of the solid-phase synthesis met...

Activated carbons derived from coconut coir dust were synthesized via a two-step process combining carbonization and steam activation for application as electrode materials in supercapacitors. The influence of carbonization temperature (500–700...

In this work, Clar’s rule was employed to predict changes in stability and energy gap of graphene quantum dots (GQDs) following the attachment of an epoxy functional group at various positions, using coronene as a model molecule. To evaluate th...