Electrodeposition of CuNiSnS absorber layer on FTO substrate for solar cell applications.

Potentiostatic and electrochemical impedance spectroscopy (EIS) measurements were recorded to study the nucleation and growth mechanisms of electrodeposited CuNiSnS (CNTS) thin films from aqueous solution at different applied potentials. The electrodeposition process of Cu-Ni-Sn-S precursors were studied using cyclic voltammetry and chronoamperometry techniques. The nucleation and growth mechanism of these films was found to follow a three-dimensional progressive nucleation limited by diffusion-controlled growth.

Targeting Fructosamine Oxidase (Amadoriase II) in Aspergillus fumigatus: Comprehensive Virtual Screening, ADMET Analysis, and Molecular Dynamics Simulation of Triazole Derivatives.

Introduction: Aspergillus fumigatus, a significant fungal pathogen, poses a threat to human health, especially in immunocompromised individuals. Addressing the need for novel antifungal strategies, this study employs virtual screening to identify potential inhibitors of Fructosamine oxidase, also known as Amadoriase II, a crucial enzyme in A. fumigatus (PDB ID: 3DJE).

Exploration of alpha-glucosidase inhibitors: A comprehensive in silico approach targeting a large set of triazole derivatives.

Background: The increasing prevalence of diabetes and the side effects associated with current medications necessitate the development of novel candidate drugs targeting alpha-glucosidase as a potential treatment option.

Methods: This study employed computer-aided drug design techniques to identify potential alpha-glucosidase inhibitors from the PubChem database. Molecular docking was used to evaluate 81,197 compounds, narrowing the set for further analysis and providing insights into ligand-target interactions.

The structural, electronic, optical, thermoelectric, and magnetic properties of the Perovskite PrFeO: DFT and Monte Carlo simulations.

Context: Nowadays, Perovskite materials with diverse compositions and structures have garnered significant attention for their potential applications across various industrial and technological fields. Here, we investigated the structural, electronic, optical, thermodynamic, thermoelectric, and magnetic properties of perovskite PrFeO using density functional theory and Monte Carlo simulations. The optimization results demonstrate that the ferromagnetic phase is more stable than the antiferromagnetic phase.

Experimental and theoretical approach for a better understanding of the mechanisms of adsorption and inhibition of corrosion for carbon steel by thiazolidine derivatives in 1 M HCl medium.

Many sectors have employed various strategies to prolong the life of steel because of its strength and high manufacturing and installation costs. The use of organic inhibitors has been widespread in recent years. The purpose of this investigation is to evaluate the activity of recently synthesized derivatives, namely ()-5-benzylidenethiazolidine-2,4-dione (FT-2a), ()-5-(2,4-dichlorobenzylidene)thiazolidine-2,4-dione (FT-2c), and ()-3-allyl-5-(2,4-dichlorobenzylidene)thiazolidine-2,4-dione (FT-3c), in inhibiting corrosion through electrochemical assays on carbon steel (CS) in 1 M HCl at 303 K.

Bioinspired synergy strategy based on the integration of nanozyme into a molecularly imprinted polymer for improved enzyme catalytic mimicry and selective biosensing.

Nanozymes offer many advantages such as good stability and high catalytic activity, but their selectivity is lower than that of enzymes. This is because most of enzymes have a protein component (apoenzyme) for substrate affinity to enhance selectivity and a non-protein element (coenzyme) for catalytic activity to improve sensitivity. The synergy between molecularly imprinted polymers (MIPs) and nanozymes can mimic natural enzymes, with MIP acting as the apoenzyme and nanozyme as the coenzyme.

Phytochemical characterization, antimicrobial properties and modeling perspectives of essential oil.

Medicinal plants are used widely in the treatment of various infectious diseases. One of these medical plants is Moroccan plants such as . In this study, the essential oil isolated from the leaves of (APEO) by the hydrodistillation method was analyzed using (GC/MS) analysis.

An Investigation of Novel Series of 2-Thioxo-1,3-dithiol-carboxamides as Potential Antispasmodic Agents: Design, Synthesis via Coupling Reactions, Density Functional Theory Calculations, and Molecular Docking.

This study reports the synthesis of 2-thioxo-1,3-dithiol-carboxamides () under mild conditions at room temperature using HBTU as a coupling agent, which significantly improved amide bond formation. The synthesized compounds were characterized using several analytical techniques, including H and C NMR spectroscopy, and HRMS, confirming their intended structures and structural integrity. A DFT computational study at the B3LYP/6-31G(d,p) level was conducted on the four synthesized compounds to compare their electronic properties and molecular structures.

Identification of small molecule glucokinase activators for the treatment of diabetes based on plants from the traditional Chinese medicine: In silico analysis.

Mutations in glucokinase (GCK) can either enhance or inhibit insulin secretion, leading to different forms of diabetes, including gestational diabetes. While many glucokinase activators (GKAs) have been explored as treatments, their long-term effectiveness has often been unsatisfactory. However, recent interest has surged with the introduction of dorzagliatin and TTP399.

Real-time AIoT platform for monitoring and prediction of air quality in Southwestern Morocco.

Urbanization and industrialization have led to a significant increase in air pollution, posing a severe environmental and public health threat. Accurate forecasting of air quality is crucial for policymakers to implement effective interventions. This study presents a novel AIoT platform specifically designed for PM2.

Advancements in Computational Approaches for Antidiabetic Drug Discovery: A Review.

Diabetes mellitus (DM) manifests as a complex and chronic metabolic disorder, posing a significant threat to global public health and contributing substantially to mortality rates. It is characterized by elevated blood glucose levels or hyperglycemia and requires effective preventive and therapeutic strategies. One promising approach involves targeting the inhibition of α- glucosidase and α-amylase, key enzymes responsible for carbohydrate hydrolysis.

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Tuberculous meningitis, a severe form of tuberculosis caused by Mycobacterium tuberculosis (BK), remains a major public health challenge worldwide. In addition to the complex mechanisms of the innate and adaptive immune response against Mycobacterium tuberculosis, there is a crucial genetic dimension to consider. Individuals with specific genetic variations may have altered immune responses that make them more susceptible to this form of tuberculosis.

Combined Effect of Subsurface Water Retention Technology and Arbuscular Mycorrhizal Fungi on Growth, Physiology and Biochemistry of Argan Seedlings under Field Conditions.

The argan ( L. Skeels) ecosystem is severely degrading in arid and semi-arid lands due to climate change, particularly in terms of density loss and reforestation failure. Thus, it is important to adopt innovative effective sustainable practices to optimize the densification and reforestation success of the argan tree.

CADD Methods for Developing Novel Compounds Synthesized to Inhibit Tyrosine Kinase Receptors.

Growth factors and their receptor tyrosine kinases play a central role in regulating vital cellular processes such as proliferation, differentiation, division, and cell survival, and they are closely associated with the development of various types of cancer, particularly in the context of angiogenesis. Although several small chemical compounds targeting tyrosine kinase receptors have been approved by the FDA for cancer treatment by inhibiting angiogenesis, there is still a need for more effective medications. in silico studies are now crucial tools for the design of new drugs, offering considerable advantages such as cost and time reduction.

Immersive simulation in nursing and midwifery education: a systematic review.

Purpose: Immersive simulation is an innovative training approach in health education that enhances student learning. This study examined its impact on engagement, motivation, and academic performance in nursing and midwifery students.

Methods: A comprehensive systematic search was meticulously conducted in 4 reputable databases—Scopus, PubMed, Web of Science, and Science Direct—following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses guidelines.

Oral Manifestations of Parry-Romberg Syndrome: A Case Report.

Parry-Romberg syndrome is a rare acquired disorder characterized by unilateral idiopathic progressive atrophy of the skin and soft tissues of the face, resulting in a sunken appearance. The muscles, cartilage, and underlying bony structures may also be affected. The etiology remains unclear and is based on several hypotheses.