The 3C-like proteinase (3CL pro ) of severe acute respiratory syndrome-associated coronavirus (SARS-CoV) is one of the most promising targets for anti-SARS-CoV drugs due to its crucial role in the viral life cycle. In this study, a database containing structural information of more than 8,000 existing drugs was virtually screened by a docking approach to identify potential binding molecules of SARS-CoV 3CL

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The formation of nanoporous TiO2 by anodization of titanium films deposited on silicon substrates was investigated. Films with homogeneously distributed pores having an average pore diameter of 25 nm and interpore distance of 40 nm were obtained by anodization in an aqueous HF electrolyte solution after a comprehensive investigation of the anodization conditions. It was shown that the magnitude of the anodization current and voltage have significant roles in the formation of different surface morphologies with different pore dimensions, ranging from big pits to nanosize porous structures. The study showed that the nanoporous structure is formed only in 0.5–1.0 wt% HF solution while keeping the anodizing potential at 3–5 V. The porous TiO2 films were characterized using scanning electron microscopy and x-ray diffraction techniques, and their formation conditions are discussed. In addition, a growth mechanism model is presented to explain the formation of different surface structures.

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Oxygen vacancies (VO) and their migration and redistribution are believed to be the dominant factors resulting in the degradation of ferroelectrics. Thus, suppressing the formation and mobility of VO is quite crucial for the physical properties of ferroelectric materials. In this paper, the ab-biaxial strain effects on VO and their migration process in prototype perovskite ferroelectric BaTiO3 were studied by first principles total energy calculation. It is found that the formation energies for the two symmetrically inequivalent VO are enhanced under compressive strain. VO migration path between Vc (VO is located along the c-axis) and Vab (VO is located in the ab-plane) shows an “S” shape. The VO migration barrier between Vc and Vab is enhanced by the compressive strain while lowered by the tensile strain. These results suggest that the ferroelectricity degradation induced by VO and their migration can be effectively mitigated by applying compressive strain.