Facile synthesis of efficient MoS2-coupled graphitic carbon nitride Z-scheme heterojunction nanocomposites: photocatalytic removal of methylene blue dye under solar light irradiation.

Among different types of semiconductor photocatalysts, MoS2 hybridized with graphitic carbon heterojunction has developed the most promising "celebrity" due to its static chemical properties, suitable band structure, and facile synthesis. Physiochemical and surface characterizations were revealed with structural, electronic, and optical analysis. Diffused reflectance spectroscopy evidenced the energy band gap tailoring from 2.62 eV for pure g-C3N4 and 1.68 eV for MoS2 to 2.12 eV for the hybridized heterojunction nanocomposite. Effective electron/hole pair separation, rise in redox species, and great utilization of solar range because of band gap modifying leading to greater degradation efficacy of g-C3N4/MoS2 heterojunction. The photocatalytic degradation with MoS2/g-C3N4 heterojunction catalyst to remove methylene blue dye was remarkably enriched and much higher than g-C3N4. By carefully examining the stimulus aspects, a probable mechanism is suggested, assuming that the concurring influence of MoS2 and g-C3N4, the lesser crystallite size, and more solubility in aquatic solution furnish the efficient e--h+ pair separation and tremendous photocatalytic degradation activity. This work delivers a novel idea to improve the efficient MoS2/g-C3N4 heterojunction for improved photocatalytic degradation in environmental refinement.

Enhancement in the visible light induced photocatalytic and antibacterial properties of titanium dioxide codoped with cobalt and sulfur.

In this study, the sol-gel technique was used to develop Cobalt Sulfur codoped Titanium Dioxide (Co-S codoped TiO2) photocatalysts. For structural analysis of the prepared resultant TiO2 samples, XRD, FTIR, UV-Vis DRS, SEM, HR-TEM and EDX measurements were used to describe the produced photocatalysts. The characterization findings indicate that the synthesized nanoparticles possessed great crystallinity, high purity, and superior optical characteristics. For the methylene blue (MB) degradation process, Co-S codoped TiO2 nanoparticles were tested for their photocatalytic degradation performance. The Co-S codoped TiO2 nanoparticles had improved catalytic activity when compared with pure, Co-doped, S-doped TiO2 and decomposed 93% of MB in 120 min. When compared to pure and doped TiO2, the catalysts of Co-S codoped TiO2 showed a synergistic effect and improved the performance of the catalysts. Furthermore, the antibacterial applications of synthesized Co-S codoped TiO2 nanoparticles was studied against E. coli (Gram negative) and S. aureus (Gram positive) bacteria and exhibited strong antibacterial activity against the selected strains.

Synthesis, crystal structure, DFT and molecular docking studies of N-acetyl-2,4-[diaryl-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4'-acetyl-2'-(acetylamino)-4',9-dihydro-[1',3',4']-thiadiazoles: A potential SARS-nCoV-2 Mpro (COVID-19) inhibitor.

In this paper, we describe the synthesis and crystal structure analysis of N-acetyl-2,4-[diphenyl-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4'-acetyl-2'-(acetylamino)-4',9-dihydro-[1',3',4']-thiadiazole (3a) and N-acetyl- 2,4-[bis(p-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-yl]-9-spiro-4'-acetyl-2'-(acetylamino)-4',9-dihydro-[1',3',4']-thiadiazole (3b). The title compounds 3a and 3b are characterized by 1D NMR and single crystal x-ray diffraction analysis. Non-covalent interactions in a molecule were identified by Hirshfeld surface (dnorm contacts and 2D fingerprint plot) analysis. In addition, the existence of chalcogen bond (S•••O bond) in the molecular structures (3a and 3b) are described by NCI-RDG and QTAIM analysis. NBO analysis is employed to describe the orbital interactions and electron transfer between sulfur and oxygen atoms. Molecular docking is carried out for compounds 3a and 3b with COVID-19 viral protein SARS-nCoV-2 Mpro (PDB ID: 6LU7).