The synergistic effect of binary CdTiO2 and ternary NiCdTiO2 on the photocatalytic efficiency of TiO2 nanoparticles was investigated. The SEM analysis demonstrates spherical TiO2 NPs of different sizes present in agglomerated form. The structural analysis of the nanocomposites reveals a porous structure for TiO2 with well deposited Cd and Ni NPs. TEM images show NiCdTiO2 nanocomposites as highly crystalline particles having spherical and cubical geometry with an average particle size of 20 nm. The EDX and XRD analysis confirm the purity and anatase phase of TiO2, respectively. Physical features of NiCdTiO2 nanocomposite were determined via BET analysis which shows that the surface area, pore size and pore volume are 61.2 m2/g, 10.6 nm and 0.1 cm3/g, respectively. The absorbance wavelengths of the CdTiO2 and NiCdTiO2 nanocomposites have shown red shift as compared to the neat TiO2 due to coupling with Ni and Cd that results in the enhanced photocatalytic activity. The photocatalytic activity demonstrated that TiO2, CdTiO2 and NiCdTiO2 degrade methylene blue (MB) and methyl green (MG) about 76.59, 82, 86% and 63.5, 88, 97.5%, respectively, at optimum reaction conditions.
Four new carboxylates complexes with general formula R2SnL2 and R3SnL, where R = n-butyl (1, 3), methyl (2, 4) and L = 4-Chlorophenoxyacetate, were synthesized in significant yields. FT-IR analysis revealed a chelating (1 and 2) and a bridging bidentate (3 and 4) coordination modes for the carboxylate ligand in solid state which was further confirmed by the single crystal X-ray analysis of complex 4. The NMR data (1H, 13C and 119Sn) revealed a higher coordination number around the tin center in R2SnL2 (1 and 2) compared to R3SnL (3 and 4). A close matching was observed between the experimental and calculated structures (obtained at B3LYP/6-31G* + LANL2DZ basis set). Quantum chemical analysis indicates that the carboxylate moiety has the major contribution in the formation of filled and unfilled orbitals as well as in ligand to ligand intramolecular charge transfer during the electronic transitions. The cytotoxicity data of the screened compounds evaluated against lung cancer cell line (A549) and normal lung fibroblast cell line (MRC-5) revealed that 1, 3 and 4 have shown dose dependent cytotoxic effects while HL and 2 have shown steady and low cytotoxic activities. The antibacterial activity of complexes 1–4 is higher than that of HL. Molecular docking study showed an intercalation binding mode for complex 3 with DNA (docking score = −3.6005) involving four polar interactions. Complex 3 docking with tubulin (PDB ID 1SA0) with colchicine as a target protein resulted in three polar interactions (docking score −5.2957). Further, the docking analysis of the HL and 1–4 has shown an adequate interactions with the coronavirus SARS-CoV-2 spike protein, nucleocapsid protein and human angiotensin converting enzyme (ACE2).
The strong nonpolar triple bond of nitrogen (NN) is a big challenge in its fixation, which is an extremely important process to obtain essential chemicals and energy carriers. Accordingly, the electrocatalytic nitrogen reduction reaction (NRR) to produce ammonia (NH3) using sustainable energy sources is considered a possible way to solve this problem. However, owing to the poor catalytic activity of materials, this approach for the production of NH3 is still far from meeting industrial requirements. In this article, the fundamentals of N2 fixation, recent progress in N2 fixation reactions, and different electrocatalysts, such as metal-based oxides, carbides, sulfides, and nitrides, single-atom catalysts, and carbonaceous catalysts, used in recent years are reviewed. Furthermore, challenges faced in the nitrogen fixation process and strategies to improve its efficiency are also highlighted.
1 February 2018 in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy