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The design and development of novel antimicrobial agents are highly desired to combat the emergence of medication resistance against microorganisms that cause infections. A series of new pyrimidine-linked thiazolidinedione derivatives (5a-j) were synthesized, characterized, and their antimicrobial properties assessed in the current investigation. Here, novel pyrimidine-linked thiazolidinedione compounds were designed using the molecular hybridization approach. Elemental and spectral techniques were used to determine the structures of the synthesized hybrids. The majority of compounds showed encouraging antibacterial properties. Among the active compounds, 5g, 5i, and 5j showed 1.85, 1.15, and 1.38 times the activity of streptomycin against S. aureus, respectively, with MIC values of 6.4, 10.3, and 8.6 µM. With MIC values of 10.8, 21.9, and 15.4 µM, respectively, the compounds 5g, 5i, and 5j showed 2.14, 1.05, and 1.50 times the activity of linezolid against the methicillin-resistant S. aureus (MRSA) strain. Furthermore, when compared to the reference medications, compounds 5g, 5i, and 5j demonstrated broad-range antimicrobial efficacy against all tested strains of bacteria and fungus. Out of all the compounds that were investigated, compounds 5g, 5i, and 5j showed noteworthy anti-tubercular activity. 5g is the most effective, 1.59 times more effective than reference drug isoniazid. To anticipate the binding manner, the synthesized potent compounds were subjected to molecular docking into the active binding site of MRSA and the mycobacterial membrane protein large 3 (MmpL3) protein. The compounds 5g, 5i, and 5j may eventually serve as lead compounds in the search for antimicrobial and anti-TB therapeutic agents., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Ltd. All rights reserved.)

Because of the excessive use of fossil fuels, CO 2 emissions into the environment are increasing. An efficient method of converting CO 2 to useful carbonaceous products in the presence of light is one way to address the issues associated with energy and environmental remediation. In 2 S 3 /WS 2 heterostructure has been fabricated using the efficient hydrothermal method. The results of structural, morphological, optical, and photo/electrochemical characterization confirm the formation of a hierarchical, layered heterostructure of type-II. Enhanced photocatalytic activity is observed in InS/WS heterostructure compared to pristine In 2 S 3 and WS 2 . InS/WS heterostructure exhibit higher photocatalytic activity than pure In 2 S 3 and WS 2 . For 12 h, photocatalytic CO 2 reduction produces 213.4 and 188.6 μmol of CO and CH 4 , respectively. Furthermore, the photocatalytic ability of the synthesized materials to degrade different parabens (Methyl: MPB, Ethyl: EPB, and Benzyl: BPB) under visible radiation was evaluated. Under optimized conditions, the InS/WS heterostructure degraded 88.6, 90.4, and 95.8% of EPB, BPB, and MPB, respectively, in 90 min. The mechanism of photocatalysis was discussed in detail. MCF-7 cell viability was assessed and found to exhibit low mortality in InS/WS treated MPB aqueous solution. InS/WS heterostructure could improve the fabrication of more sulphide-based layered materials to combat environmental pollution., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Ltd. All rights reserved.)

Triazine-linked triazole compounds (4a-j) were designed, synthesized, and then examined for their anticonvulsant abilities. Compounds 4e, 4f, 4g, 4i, and 4j displayed significant anticonvulsant activity in both maximum electroshock seizure (MES) and pentylenetetrazole (PTZ) induced seizure during the preliminary screening. The phase II anticonvulsant activity statistics revealed that compounds 4e, 4f, 4g, 4i, and 4j demonstrated excellent activity as compared to the conventional drugs methaqualone and valproate, supporting the potential of these triazine-linked triazole analogues as novel anticonvulsant agents. To take use of the findings, computational parameters including docking analysis and drug-likeness prediction were carried out. Molecular modelling studies supported the essential pharmacophoric information that the structure activity relationship offered. The triazine-linked triazole analogues that were investigated might be viewed as helpful models for future research and derivatization., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Agriculture is having a major role in solving issues associated with food shortages across the globe. Carbendazim (CZM) is one of the fungicides which is commonly used in agriculture to grow crops in large quantities and fast. Monitoring CZM content is in high demand for environmental remediation. The present work deals with the synthesis of gadolinium sesquisulfide anchored Nitrogen-doped reduced graphene oxide (Gd 2 S 3 /NRGO) through a simple microwave-assisted method. X-ray diffraction and morphological studies confirm the formation of the nanocomposite. Gd 2 S 3 /NRGO showed enhanced activity both in electrochemical detection and light-driven degradation of CZM compared to Gd 2 S 3 and NRGO. Gd 2 S 3 /NRGO modified glassy carbon electrode (GCE) exhibit a wide linear range of 0.01-450 μM CZM with 0.009 μM LOD using differential pulse voltammetry (DPV). Gd 2 S 3 /NRGO@GCE showed good selectivity, stability, and recovery (98.13-99.10%) in the river water sample. In addition, Gd 2 S 3 /NRGO has been explored towards the visible-light-induced degradation of CZM. The reactions conditions were optimized to achieve maximum efficiency. 94% of CZM was degraded within 90 min in presence of Gd 2 S 3 /NRGO. Mechanism of electrochemical redox reaction and degradation of CZM in presence of Gd 2 S 3 /NRGO has been explored to the maximum extent possible. Degradation intermediates were identified using LC-MS., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

To explore effective antituberculosis agents, a new class of imidazoles and benzimidazoles linked ethionamide analogs were designed and synthesized. The elemental analysis, 1 H NMR, 13 C NMR and mass spectral data were used to characterize all of the novel analogs. In vitro activity against Mycobacterium tuberculosis (Mtb) H37Rv was assessed for all of the target compounds. The hydroxy and nitrile moieties on the imidazole ring, as well as the hydroxy and methoxy groups on the benzimidazole ring connected to the ethionamide side chain, were shown to be advantageous. In our cell viability experiment against the Vero cell line, all of the compounds were non-cytotoxic even at 100 μM. To confirm the powerful analogs target identification, we investigated their in vitro inhibitory action on an M. tuberculosis InhA over-expressing (Mtb InhA-OE) strain, which yielded MICs nearly twice those of the Mtb H37Rv strain. Furthermore, the results of molecular docking confirmed the experimental findings. Additionally, the molecules were evaluated in silico for ADMET and drug similarity features. The experimental observation enables the newly generated ethionamide derivatives to be attractive candidates for the creation of newer and better anti-TB agents., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

At present energy and environmental remediation are of highest priority for the well defined sustainability. Multifunctional materials that solve both the issues are on high demand. In the present work, a simple method has been followed to extract carbon spheres fromTamarindus indica(commonly known astamarind fruit) shelland doped with nitrogen (N-CS). Vanadium pentoxide nanoflakes were decorated aroundN-CS and the resultant is labeled as V 2 O 5 /N-CS nanocomposite. The spectroscopic, microscopic, elemental mapping and x-ray photoelectron spectroscopic characterization confirm the nitrogen doping and formation of hybrid material. N-CS, V 2 O 5 , and V 2 O 5 /N-CS nanocompositehave been evaluated for their efficiency to evolve hydrogen and for degradation of Bisphenol A (BPA) under visible light. In addition, electrocatalytic hydrogen evolution in presence of light has also been evaluated. The DRS spectrum proves the decrease in the bandgap of V 2 O 5 upon its decoration around N-CS material. In a photochemical experiment, the V 2 O 5 /N-CS nanocomposite evolved 18,600 μmolg -1 of H 2. Electrochemical hydrogen evolution has also been evaluated in presence of light and obtained the onset potential of -60mV with 52 mV dec -1 Tafel slope value. Scavenger studies indicate superoxide radicals and hydroxyl radicals are the active species responsible for the degradation of BPA. BPA degradation pathway has been predicted with the support of LC-MS results of the intermediates. All these results indicate the synthesized nanocomposite could be an efficient, stable multifunctional material for photocatalytic applications., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

A Ta 2 O 5 -anchored-piperidine-4-carboxylic acid (PPCA) nanoparticle has been synthesized and characterized. It was then used as a highly effective nanocatalyst for the synthesis of quinolin-2(1H)-one derivatives through CO bond functionalization. The special advantage of this heterogeneous solid catalyst is the reusability of the catalyst for up to five cycles without any noticeable reduction in product yields. In comparison, healthy reaction profiles, wide substrate scope, excellent yields and easy workup conditions are the notable highlights of this approach. All the compounds were tested for their anticancer activity against MCF-7 (human breast), HepG2 (human liver), HCT116 (human colorectal), and PC-3 (human prostate) cancer cell lines with the MTT assay. All the compounds were shown to have moderate to good inhibitory effects on tested cancer cell lines. Besides, compounds 5b, 5c and 5d showed good selectivity against epidermal growth factor receptor-tyrosine kinase (EGFR-TK). Molecular docking results showed that active compounds showed a good affinity towards EGFR kinase (PDB ID: 6V6O) by forming two hydrogen bonds with Cys-797 and Tyr-801. All the compounds were screened for computational ADMET and Lipinski analysis., (Copyright © 2021 Elsevier Ltd. All rights reserved.)

Using Cu(I)-catalyzed cycloaddition of alkyne and azide reaction (CuAAC), a series of novel 1,2,3-triazole based imidazole derivatives (3a-e) have been synthesized. The synthesized molecules were characterized by spectroscopic techniques such as 1 H NMR, 13 C NMR, mass and elemental analysis. Antitubercular activity (anti-TB) against Mycobacterium tuberculosis H37Rv (Mtb) and cytotoxic activity against the mammalian Vero cell line was screened for the synthesized compounds. The compounds 3d and 3e displayed potent in vitro antitubercular activity and may serve as a lead for further optimization. Besides, the experimental findings were in line with the results of molecular docking. Also, the synthesized compounds have also been analyzed for ADME properties and the experimental finding facilitates the development of new and more potent anti-TB agents in this series in the future. Using fluorescence and UV-vis absorption spectroscopy, the binding interaction of compounds (3d and 3e) with human serum albumin (HSA) was investigated. The results showed that, as a result of HSA-compound complex, the fluorescence quenching of HSA by test compounds was a static quenching process. According to Forster's theory, energy transfer efficiency is calculated., (Copyright © 2021 Elsevier Ltd. All rights reserved.)