Discovery of SARS-CoV-2 Mpro inhibitors through rational design of novel fluorinated 1,3,4-oxadiazole amide derivatives: An in-silico study.

The main protease (Mpro) of SARS-CoV-2 is an evolutionarily conserved drug discovery target. The present study mainly focused on chemoinformatics computational methods to investigate the efficacy of our newly designed trifluoromethyl-1,3,4-oxadiazole amide derivatives as SARS-CoV-2 Mpro inhibitors. Drug-likeness ADMET analysis, molecular docking simulation, density functional theory (DFT) and molecular dynamics simulation methods were included.

Enhanced K-storage kinetics for N-doped carbon via controllable dedoping strategy.

As a potential alternative to next-generation LIBs, carbonous materials have garnered significant attention as anode materials for potassium-ion batteries due to their low cost and environmental friendliness. However, carbonaceous materials cannot fulfill the demand of anode for PIBs, due to volume expansion and poor stability during charging/discharging process. It is well-known that N doping can provide active sites for K-storage, and expand the layer distance between graphite layers.

Integrated single-cell RNA sequencing reveals the tumor heterogeneity and microenvironment landscape during liver metastasis in adenocarcinoma of esophagogastric junction.

Background: Adenocarcinoma of the esophagogastric junction (AEGJ) is a highly aggressive tumor that frequently metastasizes to the liver. Understanding the cellular and molecular mechanisms that drive this process is essential for developing effective therapies.

Methods: We employed single-cell RNA sequencing to analyze the tumor heterogeneity and microenvironmental landscape in patients with AEGJ liver metastases.

Omnidirectional 3D Printing of PEDOT: PSS Aerogels with Tunable Electromechanical Performance: A Playground for Unconventional Stretchable Interconnects and Thermoelectrics.

The next generation of soft electronics will expand to the third dimension. This will require the integration of mechanically compliant 3D functional structures with stretchable materials. Here, omnidirectional direct ink writing (DIW) of poly(3,4-ethylenedioxythiophene): polystyrene sulfonate (PEDOT:PSS) aerogels with tunable electrical and mechanical performance is demonstrated, which can be integrated with soft substrates.

Disease burden of tuberculosis in China from 1990 to 2021 and its prediction to 2036.

Background: Tuberculosis (TB) is one of the oldest infectious diseases and continues to be a major killer of human beings. This paper was designed to provide insights into the disease burden of TB.

Methods: The data was retrieved and downloaded from the latest GBD database.