Search

The modulation of the chemical microenvironment surrounding metal nanoparticles (NPs) is an effective means to enhance the selectivity and activity of catalytic reactions. Herein, a post‐synthetic modification strategy is developed to modulate the hydrophobic microenvironment of Ru nanoparticles encapsulated in a metal–organic framework (MOF), MIP‐206, namely Ru@MIP‐Fx (where x represents perfluoroalkyl chain lengths of 3, 5, 7, 11, and 15), in order to systematically explore the effect of the hydrophobic microenvironment on the electrocatalytic activity. The increase of perfluoroalkyl chain length can gradually enhance the hydrophobicity of the catalyst, which effectively suppresses the competitive hydrogen evolution reaction (HER). Moreover, the electrocatalytic production rate of ammonia and the corresponding Faraday efficiency display a volcano‐like pattern with increasing hydrophobicity, with Ru@MIP‐F7 showing the highest activity. Theoretical calculations and experiments jointly show that modification of perfluoroalkyl chains of different lengths on MIP‐206 modulates the electronic state of Ru nanoparticles and reduces the rate‐determining step for the formation of the key intermediate of N2H2*, leading to superior electrocatalytic performance. [ABSTRACT FROM AUTHOR]

α-Glucosidase inhibitors seem to be most effective in the treatment of diabetes. β-Lactams have been reported to have some antidiabetic properties with α-glucosidase inhibitory activity. The current study aims to evaluate the potential of newly synthesized β-lactams B8–B14 as α-glucosidase inhibitors that can help to control high blood glucose levels in type 2 diabetes mellitus. The synthesized 3-nitrophenyl imine derivatives (1 eq.) reacted with ethenone (1 eq.) in benzene by a Staudinger cycloaddition reaction to afford β-lactams B8–B14, which was confirmed by advanced spectroscopic techniques and elemental analysis. The antihyperglycemic studies revealed that compounds B8, B9 and B12–B14 at a dosage of 5 mg kg−1 and after 24 h of administration showed a higher percentage decrease in blood sugar (12.61–21.07%) than the reference drug glibenclamide (11.74%). In line with in vitro studies, β-lactams B8 and B9 proved to be potent inhibitors of α-glucosidase enzyme with IC50 values 3.33 μM and 2.21 μM, respectively, higher than the standard drug acarbose (IC50 = 5.47 μM). Further, in vivo experiments confirmed that the most potent antidiabetic agents B8 and B9 significantly decrease the ALT level (71.1–74.3%) to prevent liver injury induced by diabetes. The higher antioxidant potential confirmed the role of B9 as a lead antidiabetic agent to manage the ROS generated by diabetes. AutoDock Vina was used to identify the catalytic sites of α-glucosidase and to remove water molecules and add hydrogen and Kollman charges to the protein structure. In molecular docking studies, B9 fits tightly within the catalytic pocket of the α-glucosidase enzyme with a binding affinity of −9.1 kcal mol−1, supporting its potential as a strong α-glucosidase inhibitor. The most potent compound, B9, was found to have optimal lipophilicity (2.63), the highest drug-likeness (86.9%) and excellent gastrointestinal absorption that are suitable for bioavailability and drug design. Moreover, these physiochemical properties also showed excellent correlation with the α-glucosidase inhibitory and antidiabetic activity. Overall, these excellent results suggest that the most potent compound, B9, has the potential to develop as a therapeutic drug in the future to treat diabetes with α-glucosidase inhibitory activity. [ABSTRACT FROM AUTHOR]

In this research, we investigated different hybrid photocatalysts: Ni/Mo.S2/MOF-2@g-C3N4, Mo.S2/MOF-2@g-C3N4, Ni.S2/MOF-2@g-C3N4 and Ni/Mo.S2/MOF-2. These photocatalysts were synthesized using a solvothermal method by incorporating Ni.x/Mo.Sx, the heterojunction showed improved separation of photoinduced charges due to disparity in charge transfer. This resulted in a narrower energy band gap and excellent catalytic activity in photodegradation. The Ni/Mo.S2/MOF-2@g-C3N4 heterostructure demonstrated outstanding photocatalytic efficiency, with up to 91% degradation of methylene blue (MB). This significant degradation was driven by the generation of superoxide (O2•) and hydroxyl (•OH) radicals. The process adhered to pseudo-first-order kinetics and was effectively completed within 90 min of light exposure. Remarkably, the Ni/Mo.S2/MOF-2@g-C3N4 heterostructure displayed excellent stability, with only minimal performance degradation observed after five consecutive cycles. These results underscore the superior stability of the heterostructure. In summary, our research confirms that the Ni/Mo.S2/MOF-2@g-C3N4 heterojunction photocatalyst is a highly efficient material for the effective removal of methylene blue dye. [ABSTRACT FROM AUTHOR]

Doping conventional materials with a second element is an exciting strategy for enhancing catalytic performance via electronic structure modifications. Herein, Mn‐doped CdS thin films were successfully synthesized with the aid of the chemical bath deposition (CBD) by varying the pH value (8, 10, and 12) and the surfactant amount (20, 40, 60 mg). Different morphologies like nano‐cubes, nanoflakes, nano‐worms, and nanosheets were obtained under different deposition conditions. The optimized Mn‐doped CdS synthesized at pH=8 exhibited better photoelectrochemical (PEC) performance for oxygen evolution reaction (OER) than pure CdS films, with a maximum photocurrent density of 300 μA/cm2 at an external potential of 0.5 V, under sunlight illumination. The observed performance is attributed to the successful Mn doping, porosity, high surface area, and nanosphere morphology. [ABSTRACT FROM AUTHOR]

This research presents a comprehensive investigation into the synthesis and application of novel composite photocatalysts, namely Mg0.75Ce0.25Fe12O19@ZIF-67 for the degradation of Rhodamine B (RhB) dye under sunlight irradiation. The synthesis involved the preparation of Mg0.75Ce0.25Fe12O19 and ZIF-67 frameworks, followed by the fabrication of the composite catalyst. Various characterization techniques, such as XRD, SEM, EDX, and FTIR, were employed to assess the structural, morphological, and compositional properties of the synthesized materials. Photocatalytic experiments were conducted to evaluate the efficiency of the catalysts in degrading RhB, revealing remarkable enhancement in degradation efficiency (90%) using the composite photocatalyst compared to individual components. The effects of catalyst type, dosage, and pH on the degradation process were systematically investigated. Furthermore, a proposed mechanism elucidated the role of the Mg0.75Ce0.25Fe12O19@ZIF-67 cocatalyst for RhB degradation under solar light, highlighting the generation of radicals as key contributors for degradation process. [ABSTRACT FROM AUTHOR]

This study examines the challenges and opportunities of using group recommendation systems in an information overload scenario. Social network recommendation systems are increasingly important because they deliver users customized choices. Most existing solutions are geared for single users, making it difficult to propose for a group with different interests. This paper analyses group recommendation systems and exposes their flaws. This study tested whether the suggested approach outperforms the one without tagging information in recall, precision, and user satisfaction. Empirical evidence indicates that the algorithm exhibits appropriate levels of reliability and accuracy compared to conventional methods. The proposed approach has the potential to substantially enhance the existing state of social network group recommendation systems, thereby facilitating users in their quest to identify and participate in groups that align with their preferences. [ABSTRACT FROM AUTHOR]

In this study, copper (Cu)- and manganese (Mn)-based layered double hydroxide (LDH) nanosheets were produced by modest and low-cost hydrothermal technique to display an improved photocatalytic performance toward the degradation of aqueous methylene blue (MB). The morphological and structural properties of the as-prepared photocatalysts were characterized through various techniques comprising XRD, FT-IR, SEM, EDS, and their MB degradation activity was evaluated under visible light irradiation. SEM results explore that the synthesized LDH materials have a sheet-like morphology and are stacked layer by layer. Various analysis parameters, such as the effect of the contact time, concentration and pH of MB solutions were performed to optimize the performance of fabricated LDH materials. The results revealed that the as-synthesized CuAl-LDH and MnAl-LDH exhibited a 74.95 and 70.93% removal of MB under solar light within 180 min. Moreover, synthesized photocatalysts showed an excellent performance of up to four regeneration cycles. We believe that this study provides novel mechanistic insights into the design and preparation of highly competent photocatalysts using low-cost materials, with applications in environmental remediation. [ABSTRACT FROM AUTHOR]

Artificial intelligence (AI) has recently emerged as a unique developmental influence that is playing an important role in the development of medicine. The AI medium is showing the potential in unprecedented advancements in truth and efficiency. The intersection of AI has the potential to revolutionize drug discovery. However, AI also has limitations and experts should be aware of these data access and ethical issues. The use of AI techniques for drug discovery applications has increased considerably over the past few years, including combinatorial QSAR and QSPR, virtual screening, and denovo drug design. The purpose of this survey is to give a general overview of drug discovery based on artificial intelligence, and associated applications. We also highlighted the gaps present in the traditional method for drug designing. In addition, potential strategies and approaches to overcome current challenges are discussed to address the constraints of AI within this field. We hope that this survey plays a comprehensive role in understanding the potential of AI in drug discovery. [ABSTRACT FROM AUTHOR]