Design of Metal Free Fluorescent Pyridine Dyes Anchored on Cadmium Sulfide Nanowires: Optical, Electrochemical and Photovoltaic Applications.

Through a facile two-step synthetic procedure, three metal-free organic dyes having D-π-A kind of structure, belonging to chalcone family have been designed, produced and anchored on one dimensional cadmium sulfide nanowires (1D CdS NWs) to serve as a light energy harvester through dye-sensitized solar cells (DSSC) assembly. In order to anchor dye on CdS NWs nano-network, solution chemistry has been used in an easy and effective manner. The sensitizing capability of synthesized materials has been evaluated using optical and electrochemical studies, density functional theory (DFT) simulations, and photovoltaic performances. In line with a detailed analysis of fabricated Dye sensitized solar cells containing T4PC a photovoltaic efficiency yields 4.35 times (0.487%) more than that of bare CdS NWs (0.112%), while the other devices having T3PC and T2PC have shown 3.0 (0.338%) and 2.40 (0.273%) times greater photovoltaic efficiencies, respectively under standard light illumination. The obtained results offer solid evidence in favour of boosting external quantum efficiency (EQE) and reflect good agreement with the optical studies.

Design and Synthesis of Novel Fluorescent 2-(aryloxy)-3-(4,5-diaryl)-1H-imidazol-2-yl)quinolines: Solvatochromic, DFT, TD-DFT Studies, COX-1 and COX-2 Inhibition and Antioxidant Properties.

The present work focuses on the synthesis of novel heterocycles 2-(aryloxy)-3-(4,5-diaryl-1H-imidazol-2-yl)quinolines (6k-v) by an effective condensation reaction. These molecules exhibited fluorescent properties and hence for the proper understanding of their optical behavior and quantum yields, solvatochromic studies have been carried out. Further, frontier molecular orbitals, molecular electrostatic potential (MEP), and geometrical structure optimization have been investigated using the B3LYP/6-311G ++ (d, p) method. The energy gap between the HOMO, LUMO of the optical and energy band gap is determined by DFT and UV-visible spectra for TD-DFT studies are done. The screening of these compounds for in vitro COX-1 and COX-2 inhibition and DPPH free radical scavenging ability assays produced promising results. The binding interactions of these molecules against the COX-2 enzyme (PDB: 5IKR) were validated by docking studies.

Novel jointured green synthesis of chitosan­silver nanocomposite: An approach towards reduction of nitroarenes, anti-proliferative, wound healing and antioxidant applications.

Here we present the simple green synthesis of chitosan­silver nanocomposite (CS-Ag NC) by employing kiwi fruit juice as reducing agent. The structure, morphology, and composition of CS-Ag NC were determined using characterization techniques such as XRD, SEM-EDX, UV-visible, FT-IR, particle size, and zeta potential. The prepared CS-Ag nanocomposite was effectively used as catalyst in the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) in the presence of NaBH4 as reductant, in aqueous medium at room temperature. The toxicity of CS-Ag NC was assessed on Normal (L929) cell line, Lung cancer (A549) cell line and Oral cancer (KB-3-1) cell line and their respective IC50values observed were 83.52 µg/mL, 66.74 µg/mL and 75.11 µg/mL. The CS-Ag NC displayed significant cytotoxic activity and the cell viability percentage for normal, lung and oral cancer cell lines were found to be 42.87 ± 0.0060, 31.28 ± 0.0045 and 35.90 ± 0.0065 respectively. Stronger cell migration was exemplified by CS-Ag NC and the percentage of wound closure (97.92%) was substantially identical to that of the standard drug ascorbic acid (99.27%). Further CS-Ag nanocomposite was subjected for in vitro antioxidant activity.

Coumarin-4-yl-1,2,3-triazol-4-yl-methyl-thiazolidine-2,4-diones: Synthesis, glucose uptake activity and cytotoxic evaluation.

Thiazolidinedione (TZD) based medications have demonstrated to enhance the insulin sensitivity control, hyperglycemia, and lipid metabolism in patients with type 2 diabetes. Hence, in this study, a new series of novel coumarin-4-yl-1,2,3-triazol-4-yl-methyl-thiazolidine-2,4-diones (TZD1-TZD18) were synthesized via copper (I)-catalyzed azide-alkyne cycloaddition "Click Chemistry". The synthesized compounds were evaluated for their glucose uptake assay and in vitro cytotoxicity against HEK-293 (human embryonic kidney) cells which were compared with the standard drug Pioglitazone. Further, molecular docking analysis of these compounds was carried out to explain the in vitro results with PPARγ (PDB ID: 3CS8) and to better understand the bonding interactions with the target protein. The outcomes of in vitro assessment, molecular docking, and pharmacokinetics of the title compounds were revealed to be highly correlated. Interestingly, the compounds TZD4, TZD10, TZD14 and TZD16 were most efficient in lowering the blood glucose level compared with standard drug.