Study of Graphene Oxide and Silver Nanowires Interactions and Its Association with Electromagnetic Shielding Effectiveness.

Technological development has led to the need for materials able to block electromagnetic waves (EMWs) emitted from various devices. EMWs could negatively affect the working performance and lifetime of multiple instruments and measuring devices. New EMW shielding materials are being developed, while among nanomaterials, graphene-based composites have shown promising features.

Identification of Marine Compounds Inhibiting NF-κBInducing Kinase Through Molecular Docking and Molecular Dynamics Simulations.

NF-κB-inducing kinase (NIK) plays a pivotal role in regulating both the canonical and non-canonical NF-κB signaling pathways, driving the expression of proteins involved in inflammation, immune responses, and cell survival. Overactivation of NIK is linked to various pathological conditions, including chronic inflammation, autoimmune diseases, metabolic disorders, and cancer progression. As such, NIK represents a compelling target for therapeutic intervention in these diseases.

Synergistic Combination of Living Ring-Opening Metathesis Polymerization and Atom Transfer Radical Polymerization to Synthesize Structurally Tailored and Engineered Macromolecular Networks.

Structurally tailored and engineered macromolecular (STEM) networks are attractive materials for soft robotics, stretchable electronics, tissue engineering, and 3D printing due to their tunable properties. To date, STEM networks have been synthesized by atom transfer radical polymerization (ATRP) or the combination of reversible addition-fragmentation chain-transfer (RAFT) polymerization and ATRP. RAFT polymerization could have limited selectivity with ATRP inimer sites that can participate in radical-transfer processes.

Discovery of novel TACE inhibitors using graph convolutional network, molecular docking, molecular dynamics simulation, and Biological evaluation.

The increasing utilization of deep learning models in drug repositioning has proven to be highly efficient and effective. In this study, we employed an integrated deep-learning model followed by traditional drug screening approach to screen a library of FDA-approved drugs, aiming to identify novel inhibitors targeting the TNF-α converting enzyme (TACE). TACE, also known as ADAM17, plays a crucial role in the inflammatory response by converting pro-TNF-α to its active soluble form and cleaving other inflammatory mediators, making it a promising target for therapeutic intervention in diseases such as rheumatoid arthritis.