Evaluating the potential alpha energy of radon progeny

Potential alpha energy concentration of radon progeny can be measured using the alpha-spectroscopy with the silicon semiconductors detectors and the gross-counting attached with the ZnS detectors. The decay method was applied where the alpha particles emitted from the ²¹⁸Po to ²¹⁴Po were detected. In the case of the decay products, the amount and aerodynamic behavior of radioactivity are important, and also need to be measured. During the experiment, the radon gas was supplied and evaluated from the experimental room with constant concentration. Then the air sample was used as the known volume and the grab sampling technique was developed for estimating the concentration of radon decay products. However the proper calculation was applied for estimating the potential alpha energy of radon progeny through of ²¹⁸Po, ²¹⁴Pb and ²¹⁴Bi.     

Computational Screening of Phenylamino-Phenoxy-Quinoline Derivatives against the Main Protease of SARS-CoV-2 Using Molecular Docking and the ONIOM Method

In the search for new anti-HIV-1 agents, two forms of phenylamino-phenoxy-quinoline derivatives have been synthesized, namely, 2-phenylamino-4-phenoxy-quinoline and 6-phenylamino-4-phenoxy-quinoline. In this study, the binding interactions of phenylamino-phenoxy-quinoline derivatives and six commercially available drugs (hydroxychloroquine, ritonavir, remdesivir, S-217622, N3, and PF-07321332) with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (M^pro) were investigated using molecular docking and the ONIOM method. The molecular docking showed the hydrogen bonding and hydrophobic interactions of all the compounds in the pocket of SARS-CoV-2 main protease (M^pro), which plays an important role for the division and proliferation of the virus into the cell. The binding free energy values between the ligands and M^pro ranged from −7.06 to −10.61 kcal/mol. The molecular docking and ONIOM results suggested that 4-(2′,6′-dimethyl-4′-cyanophenoxy)-2-(4″-cyanophenyl)-aminoquinoline and 4-(4′-cyanophenoxy)-2-(4″-cyanophenyl)-aminoquinoline have low binding energy values and appropriate molecular properties; moreover, both compounds could bind to M^pro via hydrogen bonding and Pi-Pi stacking interactions with amino acid residues, namely, HIS41, GLU166, and GLN192. These amino acids are related to the proteolytic cleavage process of the catalytic triad mechanisms. Therefore, this study provides important information for further studies on synthetic quinoline derivatives as antiviral candidates in the treatment of SARS-CoV-2.