ChemistryOpen最新文献

Organic modifiers make incorporating nanoparticles into composite components easier, improving their optical, mechanical, and electrical characteristics. By altering the dimension, arrangement, aggregation, and surface characteristics of the nanoparticles, organic modifiers are thought to be an efficient way to regulate the morphology of nanometal oxides. This can be evaluated by the synthesis and modification of nanometal oxides using various organic agents, such as tiny ligands, various acids, polymers, and so on. Organic modifiers improve crystallinity, bind to oxide surfaces efficiently, and cause morphological changes, reducing agglomeration, raising surface roughness, and exposing more reactive facets according to XRD, FT-IR, BET, SEM, and TEM investigations. In comparison to unmodified oxides, the results showed that organic modifiers greatly decreased agglomeration, regulated particle size distribution, and improved crystallinity. In general, surface modification with organic modifiers is necessary to maximize the effectiveness of nanoparticles for many reasons, such as materials research, drug delivery, diagnosis, and catalytic processes. In this review, we primarily presented several methods for applying organic modifiers to modify the surface of nanocrystals. Here, we mainly focused on the structural modification of six types of metal oxides (TiO₂, Fe₃O₄, ZnO, Al₂O₃, CuO, NiO) via organic modifiers that are commonly used in various nanoparticle-based applications. The reason behind choosing these six nanoparticles is that they are common in use and there are no such review papers where all the surface modification information is accumulated. The results of this study will assist future researchers in carefully choosing organic modifiers that can be used as a successful method of modifying the morphology of nanometal oxides to satisfy particular functional requirements in technologically sophisticated applications. The importance of organic modifiers in developing nanoparticle technology and propelling advancements in various scientific and industrial fields is also highlighted in this review.

This study focuses on the ultrasonic synthesis of M-CeO₂ (M = Ag, Cu, Te & Ta) nanoparticles (NPs) and screening of their cytotoxicity and antibacterial activities. The prepared NPs are characterized by different techniques such as X-ray diffraction, transmission electron microscope, SEM-EDX,DR-UV-visible spectrophotometer, and dynamic light scattering analysis. The cytotoxicity of M-CeO₂ nanoparticles are assessed against cancer cells such as colorectal carcinoma (HCT-116) and cervical cancer cells (HeLa) and non-cancer cells (embryonic kidney cells HEK-293). The effect of post-48 h treatment of CeO₂, Ag-CeO_2, Cu-CeO₂, Te-CeO₂, and Ta-CeO₂, on HCT-116 and HeLa cells showed a noteworthy reduction in cell viability. The treatments of Ag-CeO₂ also display a reduction in cancer cell viability but statistically not significant. The treatment of CeO₂ shows better inhibitory action on HCT-116 and HeLa cells. HEK-293 is treated with CeO_2, Ag-CeO_2, Cu-CeO₂, Te-CeO_2, and Ta-CeO₂ NPs with the same dosages, there is a minor decline in the cell number, but the percentage of cells viability is greater than HCT-116 and HeLa cells. The antibacterial activity of NPs against E. coli and S. aureus is tested, and Te-CeO₂ NPs show better antibacterial activity. The lowest MIC displayed by Te-CeO₂ is 0.25 mg mL⁻¹ against E. coli and 4 mg mL⁻¹ for S. aureus, respectively.

Herein, 5-amino-2,4,6-triiodoisophthalic acid (ATIIPA) is used as a nucleophile to produce the corresponding 1,3-diesters. Two types of 1,3-diesters, i) diethyl 5-amino-2,4,6-triiodoisophthalate (DEtTIIP) and ii) diacetoxyethyl 5-amino-2,4,6-triiodoisophthalate (DAcOEtTIIP), are mostly prepared in quantitative yields. The 1,3-esters are tested as a carbamoylation agent toward the amino groups of the βAla esters via isocyanation of the 5-amino group. The addition reaction of DEtTIIP-NCO and βAla-OEt yields DEtTIIP:CO-βAla-OEt, and the 1,3-diethyl ester is highly resistant to alkaline hydrolysis due to the steric shielding by the adjacent 2,4,6-iodines, while the α-ethyl ester of the βAla substructure is easily removed. Alkaline hydrolysis of another adduct, DAcOEtTIIP:CO-βAla-O^tBu, removes only the 1,3-acetoxy ethyl groups to form the product DAcOHTIIP:CO-βAla-O^tBu, and the acidic fission of the -O^tBu ester is quantitative to give DAcOEtTIIP:CO-βAla. These results indicate that the DAcOEtTIIP is a feasible precursor for the N-carbamoylation of the amino acid esters, preserving the freedom for selective ester deprotection, which further inspires the design of contrast molecules using amino acids and peptides.

A highly efficient and environmentally friendly synthetic method has been developed for the preparation of benzopyrano-pyrimidines using multi-walled carbon nanotubes/magnetic nanoparticles-Biguanide-Ag NPs as a heterogeneous nanocatalyst in choline chloride–urea (ChCl–Urea) deep eutectic solvent. This approach offers numerous advantages, including high isolated yields (86–99%) and short reaction times (10–70 min), along with broad substrate compatibility for both electron-donating and electron-withdrawing functional groups. The method exhibits excellent catalytic efficiency, with high turnover numbers and turnover frequencies, even at low catalyst loading. The use of ChCl–Urea as a green, biodegradable, and nonvolatile solvent aligns with sustainable chemistry principles and allows for easy solvent recovery. Additionally, the magnetic nanocatalyst is easily recoverable and reusable, maintaining activity over multiple cycles. Operational simplicity, mild conditions, and one-pot multi-component reaction design further enhance the method's scalability and synthetic utility. Given the biological relevance of benzopyrano-pyrimidines, this strategy presents a valuable platform for green synthesis in medicinal chemistry and pharmaceutical development.

Major secondary metabolites of Physalis plants, epoxidized withanolides, have a potent feeding deterrent and growth inhibitory effect on most herbivorous insects. Caterpillars of the specialist moth species Heliothis (Chloridea) subflexa consume only Physalis fruits, whereas the closely related generalist Heliothis (Chloridea) virescens feeds on 14 different plant families, but not Physalis. The two species have different physiological responses to dietary withanolides, so it is wondered whether they metabolize withanolides differently. The Physalis peruviana plants are grown in a [¹³C]CO₂-supplied atmosphere, 4β-hydroxywithanolide E is isolated and purified from the leaves, and the compound is fed to the caterpillars. Subsequent high-performance liquid chromatography with diode array UV-vis detection coupled to high-resolution electrospray ionization mass spectrometry (HPLC-DAD-HRESIMS) and nuclear magnetic resonance (NMR) analyses of the main metabolite isolated from the frass show that both species convert 4β-hydroxywithanolide E mainly to withanolide S, probably by the action of an epoxide hydrolase. Withanolide S is completely characterized regarding its NMR and electronic circular dichroism data. To date, this is the first study to analyze the fate of withanolides after ingestion by insects.

Two series of robust pillared metal–organic frameworks (MOFs) are obtained under solvothermal conditions by combining a metal salt with either H₂bpdc, biphenyl-4,4′-dicarboxylic acid, or H₂pda, 1,4-phenylenediacrylic acid, forming 2D layers, which are pillared by L, an alloxazine derivative of 1,4-di(pyridin-4-yl)benzene using a one-pot three-component strategy. Crystallographic studies reveal the formation of two isomorphous series of compounds, namely 1-M (from H₂bpdc with M = Co, Ni, Cu, and Zn) and 2-M (from H₂pda with M = Co or Cu). The multifunctional compounds have high decomposition temperatures, and their sorption properties were measured, revealing relatively low surface areas. Furthermore, 1-Zn displays a moderate uptake of CO₂ and C₂H₄ at high pressures. In addition, for 1-M (M = Co, Cu or Zn), solid-state electrochemistry reveals redox behavior for the MOF, centered on the ligand. This study provides evidence for the first account of a one-pot formation of redox-active pillared MOFs, which exhibit gas sorption abilities before the reduction.

G protein-coupled receptor family C, group 5, member D (GPRC5D), a member of the G protein-coupled receptor (GPCR) family, has recently emerged as a promising target for immunotherapy in hematologic malignancies, particularly multiple myeloma. However, no systematic virtual screening studies have been conducted to identify small-molecule inhibitors targeting GPRC5D. To address this gap, a multistep computational screening strategy is developed that integrates Protein−Ligand Affinity prediction NETwork (PLANET), a GPU-accelerated version of AutoDock Vina (Vina-GPU), molecular mechanics/generalized born surface area (MM/GBSA), and an online tool for Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) property prediction (admetSAR 3.0), complemented by molecular dynamics (MD) simulations and absolute binding free energy (ABFE). From an initial library of 8,617 compounds, four candidates (compounds 1, 2, 7, and 8) are prioritized. Among them, compound 2 shows relatively strong binding affinity (MM/GBSA ΔG = −79.8 kcal mol⁻¹, ABFE = −9.0 kcal mol⁻¹) and high drug-likeness (quantitative estimate of drug-likeness = 0.670). MD simulations confirm its stable salt bridge interactions with key residues ASP238 and ASP239. This study proposes a systematic virtual screening workflow to facilitate the discovery of GPRC5D-targeted therapeutics.

The Front Cover image highlights the performance of hydrothermal VOPO₄ 2H₂O anodes using eco-friendly aqueous binders—CMC, PAA, and their CMC-PAA blend—compared to conventional PVDF. The CMC-PAA binder ensures strong adhesion, uniform material distribution, and stable SEI formation, enabling enhanced cycling stability and lithium-ion diffusion for sustainable battery manufacturing. More details are available in the Research Article by Artur Tron and co-workers (DOI: 10.1002/open.202500102).

Fibigia clypeata (L.) Medik, a member of the Brassicaceae, has been the subject of limited research on its pharmaceutical and medicinal properties. This study aims to evaluate the phytochemical, antimicrobial, and antimyeloma properties of F. clypeata extracts and detail these results in silico analyses. The minimum inhibitory concentration (MIC) of F. clypeata extracts was determined using dilution methods, and antimyeloma activity was determined using an MTT (3-(4,5-dimethylthiazol-2-yl)−2,5-diphenyl-2H-tetrazolium bromide) assay. The findings were evaluated by in silico analyses and correlated with the results of liquid chromatography-high-resolution mass spectrometry. The inhibitory effect of the water extract (MIC is 15 mg mL^-1 against bacterial strains; MICs are between 7.5 and 3.75 mg mL^-1 against Candida strains) was determined to be more potent than methanol extract (MIC is 60 mg mL⁻¹ against bacterial strains; MICs are between 30 mg/mL and 7.50 mg mL⁻¹ against Candida strains). Molecular docking findings revealed that cyanidin 3-rutinoside chloride showed the highest binding affinity to Staphylococcus aureus MurB, Candida parapsilosis, and Candida albicans dihydrofolate reductases and the antitumor target human epidermal growth factor receptor protein. Based on MTT results, F. clypeata extracts significantly decreased cell viability dose-dependently in three human MM and noncancerous MCF10A cell lines. F. clypeata harbor valuable antimicrobial and moderately anticancerogenic compounds.

Ebola virus (EBOV), one of the deadliest diseases, is responsible for infecting individuals with hemorrhagic fever syndrome, which remains an ongoing worldwide health concern. The extremely deadly nature and virulence of EBOV illness illuminate the imperative need to evolve effective curative agents. Viral protien (VP35) acts as an Achilles heel for EBOV reproduction and also interacts with numerous human proteins, which leads to impairing the immune system. Herein, the DrugBank database, containing >14000 investigational and approved drugs, is mined to hunt prospective inhibitors toward VP35 utilizing various computational approaches. Docking technique performance is initially validated to predict the VP35-inhibitor binding pose upon the accessible experimental data. Molecular dynamics simulations (MDS) are then conducted in triplicate on the top potent drug candidates, followed by binding energy (ΔG_binding) estimations using molecular mechanics/generalized Born surface area (MM/GBSA) approach. Upon MM/GBSA//250 ns MDS, DB14875 and DB07800 revealed better binding energy against VP35 than 1D9, reference inhibitor, with ΔG_binding values of −36.6, −35.6, and −29.3 kcal mol⁻¹, respectively. Post-MD analyses demonstrate great stability for the identified drug candidates complexed with VP35 over 250 ns MDS. Ultimately, the density functional theory computations are executed, and their outcomes elucidate favorable molecular reactivity of the identified drug candidates. Conclusively, these findings suggest promising inhibitors for VP35, warranting further experimental assays.