ABSTRACT Breast cancer remains a global health challenge due to high prevalence and therapeutic resistance, necessitating the discovery of novel targeted strategies. This study investigated flavonoids targeting the Janus kinase 1 (JAK1) protein within the JAK/STAT pathway, a key regulator of tumor progression. An initial library of 823 anticancer compounds was screened, from which 79 flavonoids were prioritized for computational analysis based on their therapeutic potential. High‐throughput docking using AutoDock Vina identified 49 candidates with strong binding affinities (≤ –8 kcal/mol). Following ADMET and drug‐likeness screening, icaritin, luteolin, and galangin were subjected to rigorous 500 ns molecular dynamics (MD) simulations using GROMACS, with tofacitinib serving as a clinical control. MD results definitively identified icaritin as the most potent inhibitor, with a binding free energy of –49.58 kcal/mol, significantly outperforming tofacitinib (–42.82 kcal/mol). Although luteolin exhibited a higher density of simultaneous hydrogen bonds analyzed via Visual Molecular Dynamics (VMD), icaritin maintained a more rigid and robust interaction profile, yielding superior thermodynamic stability. These findings establish icaritin as the primary lead compound for targeted JAK1 inhibition, with luteolin as a strong secondary candidate. This research provides a robust rationale for further validation to disrupt STAT activation and suppress breast cancer proliferation.

ABSTRACT Rongalite, an inexpensive industrial product, has been found to be an efficient promoter for the preparation of bis(indolyl)methanes from arylaldehydes and indoles. The desired products were usually isolated in excellent yields from the reaction mixture by filtration after dilution with water. However, the condensation reaction did not take place with aliphatic and some heteroaromatic aldehydes.

ABSTRACT The increasing discharge of wastewater from various textile industries poses significant environmental pollution and human health challenges worldwide. This work presents the comparative performance in removing cationic and anionic organic pollutants from water using CNF‐embaded rGO/WO 3 ‐3 composite membrane. Membranes were fabricated by a solution casting method, and their photodegradation and photo‐filtration performance under visible light was assessed using methyl orange (MO) and methylene blue (MB) as model pollutants. The composite membrane demonstrated higher degradation efficiency for MB with a removal of 99.5% and a flux of 138.5 L.m −2 .h −1 .bar −1 , compared to 95% and 106.34 L.m −2 .h −1 .bar −1 for MO. This superior performance is attributed to stronger surface affinity between MB and the negatively charged membrane. Photocatalytic degradation was completed within 40 min for MB and 160 min for MO. The membrane also demonstrated excellent reusability and durability. After five cycles of repeated use, it retained 72% degradation efficiency for MB (flux: 124.16 L.m −2 .h −1 .bar −1 ) and 80% for MO (flux: 41.79 L.m −2 .h −1 .bar −1 ), showing minimal decline in performance. Overall, our CNF/rGO/WO 3 ‐3 composite membrane offers a simple, green, and efficient approach for the removal of cationic and anionic organic pollutants from water, with a strong potential for real wastewater treatment and other environmental remediation applications.

ABSTRACT The synthesis of 2‐amino‐4H‐chromenes is described using itaconic acid as a catalyst in aqueous media. Under optimized reaction conditions, a variety of functionalized aromatic aldehydes, malononitrile, and α/β‐naphthol were reacted to afford 2‐amino‐4H‐chromene derivatives in excellent yields. This method is notable for its broad substrate scope, short reaction time, high efficiency, functional group tolerance, operational simplicity, and excellent catalyst recyclability. This makes the protocol feasible, economical, and environmentally benign.

ABSTRACT Cancer's global prevalence demands novel therapeutic agents with improved efficacy and selectivity. In this study, six azo‐containing derivatives featuring trifluoromethyl (─CF 3 ) groups and a coumarin scaffold were comprehensively examined, five of which were newly synthesized. Their chemical structures were confirmed using FTIR, UV–Vis, and NMR ( 1 H and 13 C) spectroscopy. DFT calculations (B3LYP/6‐311++G(d,p)) supported the experimental data, showing strong agreement between theoretical and observed spectra. All compounds fulfilled Lipinski's rule of five, according to ADMEt studies; however, compounds 4b and 4c showed the lowest projected toxicity (LD 50 : 6480 mg/kg). High binding affinities toward cancer‐related VEGFR2 protein targets (PDB IDs: 3VO3, 6GQO, 3VHE, and 3WZD) were found via molecular docking. The compound that interacted with 3VHE the most was compound 5a (–11.2 kcal/mol). The 6GQO–4a complex was shown to be the most stable (–120.099 kJ/mol) by MM/PBSA analysis. This finding was confirmed by 100 ns molecular dynamics simulations that showed constant hydrogen bonding and stable RMSD values. These results point to compound 4a as a promising lead molecule for the development of anticancer drugs, which calls for additional in vitro and in vivo research.

ABSTRACT Polymer‐based nanomaterials have developed to be promising materials in recent drug delivery, and several kinds of therapeutic applications have been attributed to their controlled physicochemical properties, multiform structure and excellent biocompatibility. The recent development of polymer chemistry, nanofabrication processes, and molecular mechanics now makes it feasible that by designing more complex nanocarriers, we should be able to overcome some crucial biological barriers in cancer treatment as well as improve drug stability and site‐directed targeting. Recent progress in the development of polymeric nanomaterials, which include polymer nanoparticles (NP), micelles, dendrimers, nanogels, and polymersomes as well as their hybrids with inorganic NPs, is reviewed with emphasis on the controlled and stimuli‐responsive drug delivery. Also presented are innovative methodologies such as surface functionalization, ligand targeting, and stimuli‐responsive based drug delivery by intelligent polymers responsive to pH, redox potential, enzymes, and temperature for precision therapy. Moreover, coupling polymer‐based nanomaterials with emerging therapeutic strategies, including gene therapy, immunotherapy, and synergistic drug delivery, has broadened the clinical application of these materials. Scalable synthesis, green polymer processing, and regulatory compliant design are also addressed as clinical translation gains more importance. Nevertheless, obstacles like long‐term safety, biodistribution/reproducibility, and large‐scale manufacturing prevent the exploitation of these effective treatment tools to rush human trials. Generally, the polymer‐based nanomaterials are a promising and dynamic solution for futuristic drug delivery and therapy in the next generation; it also provokes a new processing to improve the therapeutic response as well as patient‐based treatment.

ABSTRACT The extensive use of pesticides in modern agriculture has led to serious environmental contamination and health concerns. In this study, a green synthesis route was employed to fabricate ZnO/CuS nanocomposites (NCs) for the photocatalytic degradation of chlorpyrifos pesticide in aqueous media. The NCs were synthesized using banana peel extract and rice starch water as eco‐friendly reducing and stabilizing agents. Four samples with different ZnO: CuS ratios (1:1, 1:2, 1:3, and 1:4) were prepared via a precipitation method. The structural, optical, and morphological properties of the synthesized NCs were characterized using XRD, FTIR, UV–vis spectroscopy, and FESEM analysis. XRD results confirmed the hexagonal phases of ZnO and CuS, with crystallite sizes of 25.04, 8.9, 10.5, and 23.14 nm for samples A , B , C , and D , respectively. Optical studies revealed reduced bandgap energies ranging from 2.2 to 2.0 eV, indicating improved visible‐light absorption due to the formation of the ZnO/CuS heterostructure. The photocatalytic activity of the synthesized NCs was evaluated through the degradation of chlorpyrifos under UV–vis light irradiation. Among the prepared samples, sample B (ZnO: CuS = 1:2) exhibited the highest photocatalytic performance, achieving 93.65% degradation within 120 min using 20 mg of catalyst at room temperature (28.5°C) for an initial pesticide concentration of 1 mmol in 0.5 L solution. The enhanced photocatalytic activity is attributed to efficient charge transfer between ZnO and CuS, which suppresses electron–hole recombination and promotes the formation of reactive oxygen species (ROS). These findings demonstrate that green‐synthesized ZnO/ CuS NCs are promising and cost‐effective photocatalysts for the removal of pesticide contaminants from wastewater.

ABSTRACT Developing effective anticancer agents remains a critical preference in medicinal chemistry because of the limitations of current and traditional therapies, which include multidrug resistance and systemic toxicity. A novel series of cyclopropyl‐biphenyl tethered‐1,2,3‐triazolderivatives was synthesized via click chemistry for analyzing their cytotoxic potential. Commercially available 4'‐bromo‐[1,1'‐biphenyl]‐4‐ol procured for propargylation, Suzuki reaction, and click reaction via intermediate 4‐cyclopropyl‐4'‐(prop‐2‐yn‐1‐yloxy)‐1,1'‐biphenyl. All the synthesized derivatives were characterized based on 1 H NMR, 13 C NMR, and mass spectrometry. The prepared triazole derivatives were evaluated in vitro for their anticancer potential against cell lines A‐549 and MCF‐7. Amongst the tested compounds, 7e, 7f, and 7 g were found to exhibit substantial activity against the tested cell lines. The presence of functional groups in tested compounds 4‐nitro‐2‐chloro (7f)_IC 50 values against A‐549 is 6.06 and against MCF‐7 is 6.47), 4‐nitro (7e)_IC 50 values against A‐549 is 7.10 where as in MCF‐7 is 6.03) and 4‐nitro‐2‐methoxy (7g)_IC 50 values against A‐549 is 6.06 where as in MCF‐7 is (10.47) showed prominent activity in the tested cell lines. Based on this study, it could be inferred that the presence of an electronegative substituent (especially a 4‐nitro substituent) on the phenyl ring increases anticancer activity. Although preliminary, the results support considering these derivatives as potential leads for anticancer drug development.

ABSTRACT Transition metal dichalcogenides alloys are promising materials for tunable optoelectronic and energy applications; however, systematic studies on chemically deposited ternary tungsten chalcogenide thin films remain limited. In this work, W(Se 0 . 5 S 0 . 5 ) 2 thin films were synthesized on glass substrates using chemical bath deposition with citric acid as a complexing agent. The objective of this study is to explore the influence of sulfur–selenium alloying on the structural, optical, electrical, thermoelectric, and photoelectrochemical properties of the films. X‐ray diffraction confirms the formation of a single‐phase hexagonal 2H structure with lattice parameters a = 3.26 Å and c = 12.84 Å. Scanning electron microscopy reveals compact, platelet‐like nanocrystalline morphology, while energy‐dispersive x‐ray analysis confirms stoichiometric composition. Optical measurements show strong visible–NIR absorption with a direct band gap of 1.72 eV, indicating effective band gap tuning. Electrical studies exhibit thermally activated semiconducting behavior with activation energy of 0.18 eV. The films show p‐type conductivity with Seebeck coefficients of 200.5 µV K − 1 at 300 K and 262 µV K − 1 at 525 K. Photoelectrochemical measurements demonstrate a conversion efficiency of 1.17%. These results highlight the potential of W(Se 0 . 5 S 0 . 5 ) 2 thin films for multifunctional optoelectronic, thermoelectric, and energy conversion applications.

ABSTRACT Optical crystals with wide bandgap for deep ultraviolet (DUV) range are pivotal for the modern laser technologies, particularly in the field of solid‐state lasers. In this work, a DUV transparent magnesium‐ammonium sulfate (NH 4 ) 2 Mg(SO 4 ) 2 ·6H 2 O is successfully obtained through an aqueous solution evaporation method. It crystallizes in P 2 1 / c space group with cell parameters of a = 6.1940(11) Å, b = 12.582(2) Å, c = 9.3105(16) Å, and β = 107.095(5) °. Based on centimeter‐scale crystals, transmission spectra reveals that the crystal exhibits high transmittance in the range of 300–3000 nm with a DUV cutoff edge at 190 nm. This excellent DUV transparency is attributed to the rigid [SO 4 ] tetrahedra, a structural unit well‐established for its favorable contribution to a large bandgap. Meanwhile, the birefringence measurement indicates that the maximum refractive index difference of this compound is 0.03@589.3 nm. This study introduces a promising optical crystal with a short cut‐off edge and enriches the functional properties research of the sulfate family.