ABSTRACT In an effort to improve the thermoelectric properties of phthalocyanine‐based molecular junctions, the current work establishes a robust mechanism by incorporating different metals (Mg, Zn, Ni, and Pt) into the cavity center of the phthalocyanine‐single junctions. The low transmission coefficient T(E) values are ranging from 3.7 × 10 −9 to 62 × 10 −9 , confirming the signature of the destructive quantum interference (DQI) and the low junction formation probability (JFP), which in turn led to the high value (−86.63 µKV −1 ) of the Seebeck coefficient (S). The high value of electronic figure of merit (ZelT) of 2.0 is opening a new window for developing thermoelectric materials and their applications. In addition, the switching from negative to positive values of S makes Pc molecules suitable candidates to extend the applications of thermoelectric materials. A threshold voltage (Vth) ranging between 0.22 and 3 V indicates the possibility of using this type of molecular junction in various electronic applications.

ABSTRACT A facile and sustainable intermolecular Heck arylation/isomerization of Baylis–Hillman adducts with iodobenzene, leading toward the synthesis of α ‐benzyl‐ β ‐keto esters using a novel heterogeneous palladium catalyst under milder conditions, is demonstrated. This polymer‐supported palladium catalyst ( mPAN‐Pd ) was tailored by immobilizing PdCl 2 onto post‐functionalized polyacrylonitrile ( mPAN ). The key feature of this protocol involves simple catalyst preparation, rapid reactions with excellent conversion up to 96% yield under solvent/ligand‐free and open‐air conditions. Above all, the catalyst offered easy recyclability by simple filtration and exhibited excellent catalytic activity and stability up to five repeated reaction cycles.

ABSTRACT The aim of this work is to investigate the adsorption of Aspirin or Acetylsalicylic acid (ASA) present in an aqueous solution, on SiO 2 , TiO 2 , and TiO 2 /SiO 2 nanostructures. TiO 2 /SiO 2 nanostructures were synthesized using rice husk ash (RHA) as the SiO 2 source and titanium tetrachloride (TiCl 4 ) as a precursor for TiO 2 . Nanostructures of TiO 2 , SiO 2 , and TiO 2 /SiO 2 , using XRD, FT‐IR, BET, SEM, and Zeta Potential equipment, were characterized. The effect of pH (pH 1, 4, 7, 12), initial ASA concentration (3.5‐5.5 ppm), temperature (25°C, 35°C, 50°C), adsorbent dose (0.1‐3.0 g L −1 ), and adsorption time (0‐24 h) on the adsorption process has been examined. The most favorable adsorption of ASA was observed at acidic pH, that is especially pH 4. Using an initial concentration of 5.5 ppm ASA solution and a dose of 0.75 g L −1 SiO 2 , TiO 2 , and TiO 2 /SiO 2 nanostructures, the maximum removal of ASA was 38.08%, 21.89%, and 23.83%, respectively. Experimental data were fitted to the Langmuir (LIM), Freundlich (FIM), Tempkin (TIM), and Dubinin‐Radushkevic (DRIM) adsorption isotherm models. The two‐parameter isotherms that provide the best match and have the highest correlation coefficient are, in order of precision: LIM > FIM > TIM > DRIM. Maximum adsorption capacities ( q m ) of SiO 2 , TiO 2 , and TiO 2 /SiO 2 were calculated as 3.42, 2.81, and 3.35 mg g − 1 , respectively. To test the data obtained from these isotherm models, several error functions, that is Marquardt's Percent Standard Deviation (MPSD), Hybrid error function (HYBRID), Sum of the Absolute Errors (SAE), Average Relative Error percentage (ARE), and Sum of Square Error (SSE), were also used. As all error functions are compared, the Langmuir (LIM) adsorption isotherm model fits the experimental data quite well. Adsorption kinetics of ASA was performed with pseudo‐first‐order (PFOM), pseudo‐second‐order (PSOM), Elovich (EM), and Weber‐Morris (WMM) models. Pseudo‐second‐order model, PSOM (R 2 = 0.995‐0.998) is found to be the most compatible with the experimental data. Thermodynamic studies on ASA removal elucidated that ASA removal using TiO 2 as an adsorbent is an exothermic and spontaneous process, while it is endothermic and nonspontaneous when SiO 2 or TiO 2 /SiO 2 is used as an adsorbent.

ABSTRACT Recombinant collagen‐like proteins offer promise compared to conventional mammalian derived collagens, as there is less risk of disease transfer, more consistency between batches, and they are more compatible with a range of religious and ethical groups within society. Here, a recombinant collagen‐like protein, Scl2 derived from Streptococcus pyogenes , was studied for use as a biomaterial. Following methacryloylation the collagen solution demonstrated favorable flow properties for extrusion printing, as well as rapid photo‐crosslinking. The system was seen to have tailorable mechanical properties, with 3D‐printed scaffolds achievable. The hydrogel scaffolds were shown to be cytocompatible with L929 fibroblasts after 7 days. This demonstrated a recombinantly produced collagen‐like biomaterial that is 3D‐printable and cytocompatible that provides a basis for further cellular studies and tissue engineering applications.

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 Heavy metal contamination has become a critical environmental concern in rapidly industrializing regions, particularly in areas dominated by mining and thermal power activities. This review identifies the prospect of green algae (Chlorophyta) as credible bioindicators and sustainable bioremediation tools to detect the presence of heavy metal pollution, particularly in the Korba industrial region of Chhattisgarh in India. The emission produced by industries, mining, and improper dumping of waste has resulted in high levels of harmful toxic metals in the environment, which have caused serious ecological and health hazards to both the aquatic life and human beings. Green algae have special biological traits such as rapid growth, high surface‐area/volume ratio, and high metal‐binding capacity, which allow them to be used in biosorption and bioaccumulation of heavy metals. The further development of analytical, spectroscopic, and omics‐based imaging methods has made the approaches of algal biomonitoring more precise and advanced knowledge of the mechanisms of metal uptake. Algae‐based approaches are cost‐effective, eco‐friendly, and scalable in comparison to traditional physicochemical remediation approaches to pollution evaluation and remediation. Future studies ought to focus on the real‐time biosensing systems and built‐in biomonitoring systems to enhance the sensitivity of detection and remediation of highly industrialized landscapes.

ABSTRACT This study presents the controlled synthesis of structures consistent with multilayer borophene on molybdenum substrates via chemical vapor deposition (CVD), targeting high‐performance supercapacitor applications. The resulting borophene exhibits high tensile strength, excellent corrosion resistance, and enhanced electrical conductivity, making it a promising candidate for energy storage devices. We addressed the challenges of controlling thickness and properties during borophene growth by systematically analyzing the CVD process, including precursor materials and ratios, carrier gases, and reaction temperature. By optimizing these parameters and using the molybdenum substrate as a catalyst, we achieved uniform coverage with a thickness of approximately 247 nm, representing a significant improvement over previous reports. When applied as a symmetric supercapacitor electrode, the borophene/Mo system delivered a specific areal capacitance of 54.6 mF·cm − 2 and a specific gravimetric capacitance of 471 F·g − 1 at 1 mV·s − 1 . The volumetric energy density reached ∼1106 J·cm − 3 , with 83% capacitance retention after 10,000 cycles at 15 A·g − 1 . These results highlight the potential of high‐quality, multilayered borophene on molybdenum substrates, demonstrating that its crystalline quality and 2D structure enable efficient ion intercalation and superior supercapacitor performance. Notably, this work combines CVD‐based borophene growth on molybdenum with systematic process optimization and supercapacitor evaluation within a unified framework.

ABSTRACT Schiff base ligands (L 1 – L 4 ) and their palladium(II) (Pd(II)) complexes (P1–P4) were derived from the derivatives of salicylaldehyde with aminoguanidine bicarbonate and diaminoguanidine, respectively. Ligands and complexes was characterized by various analytical and spectroscopic studies. From these results suggested that the ligands were coordinated to metal as a monobasic tridentate (ONN) manner. The protein binding activity of synthesized compounds was investigated, results revealed that the compound quenched BSA in a static manner. Moreover, the cytotoxic ability of ligands and Pd(II) complexes was screened against A549 and MDA‐MB‐231 cell lines. From IC 50 and IC 90 values, all the complexes exhibited better activity compared to the ligands. Among these complexes, complex P3 displays lower IC 50 (26.5 and 34.22 µM) value in A549 and MDA‐MB‐231 cell lines, respectively. Bright‐field microscopy, intracellular reactive oxygen species (ROS), mitochondrial membrane potential (MMP), nuclear 4',6‐diamidino‐2‐phenylindole test, and caspase‐3 studies were used to evaluate the anticancer mechanism of complex P3 in A549 and MDA‐MB‐231 cell lines. By contrast with the control cell, the complex‐treated cell exhibits up‐regulated caspase‐3, and the ROS and MMP assay findings show that the activities are dosage dependent. These results revealed DNA damage and blebbing of the cellular membrane, which are morphological indicators of apoptosis.

ABSTRACT Achieving high selectivity at near‐complete conversion remains a central challenge in the selective hydrogenation of multifunctional molecules. Herein, we report a near in situ activation strategy for CeO 2 quantum dots (QDs)‐modified Pt/SiC catalyst that exploits hydrogen spillover to generate Ce 3+ /SiC interfacial active sites without compromising the catalyst's intrinsic architecture. The activated catalyst achieves 93% selectivity to cinnamyl alcohol (COL) at 99% cinnamaldehyde (CAL) conversion, with a turnover frequency (TOF) approximately 2.4 times that of the untreated sample. Notably, the strategy also works for nitrobenzene and benzonitrile hydrogenations, showing broad applicability. This work provides a valuable reference for the design and activation of hydrogenation catalysts.

ABSTRACT Epstein–Barr virus (EBV) is a significant global health concern due to its association with malignancies and autoimmune diseases like multiple sclerosis. Rapid, accessible detection methods are essential, especially in resource‐limited settings. Although polymerase chain reaction (PCR) remains the gold standard, its high cost and complexity underscore the need for simpler alternatives. This study presents a visual, user‐friendly biosensor using gold nanoparticles (AuNPs) for point‐of‐care detection of EBV DNA. A specific DNA probe was synthesized and conjugated to ∼30 nm spherical AuNPs via thiol linkages. Target EBV DNA induced nanoparticle aggregation, and subsequent HCl addition caused a distinct color change from red to blue, enabling visual detection. The biosensor achieved a detection limit of 200 pmol and produced results within 5 min. Nanoparticle uniformity and stability were confirmed through characterization. Compared to PCR, the biosensor demonstrated comparable specificity in cross‐validation experiments, while offering superior speed, cost‐effectiveness, and operational simplicity. This AuNP‐based biosensor represents a promising, low‐cost diagnostic tool for rapid EBV screening, particularly in low‐resource environments. Further validation with diverse clinical samples is recommended to enhance reliability and support broader application.