A mesoporous Mo and N Co-doped TiO2 nanocomposite with enhanced photocatalytic efficiency.

This study reports the synthesis of a mesoporous Mo and N codoped anatase TiO2 nanocomposite with many oxygen vacancies using a simple one-step hydrothermal method and subsequent calcination treatment. Both Mo and N were effectively co-incorporated into the anatase phase of TiO2 without MoOx phase segregation. The codoped catalyst demonstrated a mesoporous architecture with a surface area of 107.48 m2 g-1 and a pore volume of 0.2974 cm3 g-1. X-ray photoelectron spectroscopy confirmed that both Mo and N dissolved in the TiO2 lattice and created induced oxygen vacancies. The interaction of the dopants (Mo and N) and oxygen vacancies clearly affected TiO2 crystal formation. Photocatalytic performance of the nanocomposite was investigated in terms of the decomposition of methyl orange at a concentration of 50 mg L-1 in an aqueous solution. The results revealed a significant methyl orange degradation of up to 99.6% after 30 min irradiation under a UV light. The impressive performance of the nanocomposite is assigned to the synergetic effect of important factors, including the co-doping of metallic (Mo) and non-metallic (N) elements, oxygen vacancy defects, bandgap, crystallite size, mesoporous structure, and BET surface area.

Effect of bismuth doping on the crystal structure and photocatalytic activity of titanium oxide.

The doping of TiO2 with metals and non-metals is considered one of the most significant approaches to improve its photocatalytic efficiency. In this study, the photodegradation of methyl orange (MO) was examined in relation to the impact of Bi-doping of TiO2. The doped TiO2 with various concentrations of metal was successfully synthesized by a one-step hydrothermal method and characterized using X-ray diffraction (XRD), Fourier-transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM), and UV-vis spectroscopy. The XRD results revealed that the anatase phase, with an average crystallite size of 16.2 nm, was the main phase of TiO2. According to the anatase texture results, it was found that the doping of TiO2 increased the specific surface area for Bi2O3@TiO2 without a change in the crystal structure or the crystal phase of TiO2. Also, XPS analysis confirmed the formation of Ti4+ and Ti3+ as a result of doping with Bi. The activities of both pure TiO2 and Bi-doped TiO2 were tested to study their ability to decolorize MO dye in an aqueous solution. The photocatalytic degradation of MO over Bi2O3@TiO2 reached 98.21%, which was much higher than the 42% achieved by pure TiO2. Doping TiO2 with Bi increased its visible-light absorption as Bi-doping generated a new intermediate energy level below the CB edge of the TiO2 orbitals, causing a shift in the band gap from the UV to the visible region, thus enhancing its photocatalytic efficiency. In addition, the effects of the initial pH, initial pollutant concentration, and contact time were examined and discussed.

Classification, processing, and applications of bioink and 3D bioprinting: A detailed review.

With the advancement in 3D bioprinting technology, cell culture methods can design 3D environments which are both, complex and physiologically relevant. The main component in 3D bioprinting, bioink, can be split into various categories depending on the criterion of categorization. Although the choice of bioink and bioprinting process will vary greatly depending on the application, general features such as material properties, biological interaction, gelation, and viscosity are always important to consider. The foundation of 3D bioprinting is the exact layer-by-layer implantation of biological elements, biochemicals, and living cells with the spatial control of the implantation of functional elements onto the biofabricated 3D structure. Three basic strategies underlie the 3D bioprinting process: autonomous self-assembly, micro tissue building blocks, and biomimicry or biomimetics. Tissue engineering can benefit from 3D bioprinting in many ways, but there are still numerous obstacles to overcome before functional tissues can be produced and used in clinical settings. A better comprehension of the physiological characteristics of bioink materials and a higher level of ability to reproduce the intricate biologically mimicked and physiologically relevant 3D structures would be a significant improvement for 3D bioprinting to overcome the limitations.

Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.

The novel coronavirus disease that arises in the end of 2019 (COVID-19) in Wuhan, China, has rapidly spread over the globe and was considered as a world pandemic. Currently, various antiviral therapies or vaccines are available, and many researches are ongoing for further treatments. Targeting the coronavirus' main protease (key enzyme: 3CLpro) is growing in importance in anti-SARS-CoV-2 drug discovery process. The present study aims at predicting the antiviral activity of two novel compounds using in silico approaches that might become potential leads against SARS-CoV-2. The 3D structures of the new compounds are elucidated by single-crystal X-ray techniques. The interactions between different units of 4 and 5 were emphasized by analyzing their corresponding Hirshfeld surfaces and ESP plots. NBO and FMO analyses were investigated as well. Molecular docking combined with molecular dynamics simulations (MDs) was performed to investigate the binding modes and molecular interactions of 4 and 5 with the amino acids of coronavirus main protease (6LU7) protein. The best docking scores were obtained for both ligands through the major binding interactions via hydrogen/hydrophobic bonds with the key amino acids in the active site: HIS41, CYS145, MET49, MET165, HIS172, and GLU166 amino acids. A MD simulation study was also performed for 100 ns to validate the stability behavior of the main protease 3CLpro-ligand complexes. The MD simulation study successfully confirmed the stability of the ligands in the binding site as potent anti-SARS-CoV-2 (COVID-19) inhibitors. Additionally, MMPBSA energy of both docked complexes was determined as a validation assay of docking and MD simulations to validate compound conformation and interaction stability with 3CLpro. The synthesized compounds might be helpful in the fight against COVID-19 prior to biological activity confirmation in vitro and in vivo.