Synthesis, Spectral Characterization, Thermal Investigation, Computational Studies, Molecular Docking, and In Vitro Biological Activities of a New Schiff Base Derived from 2-Chloro Benzaldehyde and 3,3'-Dimethyl-[1,1'-biphenyl]-4,4'-diamine.

The current research involves the synthesis of a new Schiff base through the reaction between 2-chlorobenzaldehyde and 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine by using a natural acid catalyst and a synthesized compound physicochemically characterized by X-ray diffraction, Fourier transform infrared spectroscopy, 1H- and 13C-nuclear magnetic resonance, and liquid chromatography-mass spectrometry. Thermal studies were conducted using thermogravimetric, differential thermal analysis, and differential thermogravimetric curves. These curves were obtained in an inert nitrogen environment from ambient temperature to 1263 K using heating rates of 10, 15, and 20 K·min-1. Using thermocurve data, model-free isoconversional techniques such as Kissinger-Akahira-Sunose, Flynn-Wall-Ozawa, and Friedman are used to determine kinetic parameters. These parameters include activation energy, phonon frequency factor, activation enthalpy, activation entropy, and Gibb's free energy change. All of the results have been thoroughly investigated. The molecule's anti-inflammatory and antidiabetic properties were also examined. To learn more about the potential of the Schiff base and how successfully it can suppress the amylase enzyme, a molecular docking experiment was also conducted. For in silico research, the Swiss Absorption, Distribution, Metabolism, Excretion, and Toxicity algorithms were used to calculate the theoretical pharmacokinetic properties, oral bioavailability, toxic effects, and biological activities of the synthesized molecule. Moreover, the cytotoxicity tests against a human lung cancer cell line (A549) using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay demonstrated that the synthesized Schiff base exhibited significant anticancer properties.

Pristine, Ni- and Zn-Doped CuSe Nanoparticles: An Antimicrobial, Antioxidant, and Cytotoxicity Study.

The strategy of chemical coprecipitation is implemented to synthesize nanoparticles of pristine CuSe, 5 and 10% Ni-doped CuSe, and 5 and 10% Zn-doped CuSe. All of the nanoparticles are found to be near stoichiometric by the evaluation of X-ray energy using electron dispersion spectra, and the elemental mapping shows uniform distribution. By X-ray diffraction examination, all of the nanoparticles are identified as being single-phase and having a hexagonal lattice structure. Field emission microscopy with electrons in both scanning and transmission modes affirmed the spherical configuration of the nanoparticles. The crystalline nature of the nanoparticles is confirmed by the presence of spot patterns observed in the selected area electron diffraction patterns. The observed d value matches well with the d value of the CuSe hexagonal (102) plane. Findings from dynamic light scattering reveal the size distribution of nanoparticles. The nanoparticle's stability is investigated by ζ potential measurements. Pristine and Ni-doped CuSe nanoparticles exhibit ζ potential values in the preliminary stability band of ±10 to ±30 mV, while Zn-doped nanoparticles feature moderate stability levels of ±30 to ±40 mV. The potent antimicrobial effects of synthesized nanoparticles are studied against Staphylococcus aureus, Pseudomonas aeruginosa, Proteus vulgaris, Enterobacter aerogenes, and Escherichia coli bacteria. The 2,2-diphenyl-1-picrylhydrazyl scavenging test is used to investigate the nanoparticle's antioxidant activities. The results showed the highest activity for control (Vitamin C) with an IC50 value of 43.6 µg/mL, while the lowest for Ni-doped CuSe nanoparticles with an IC50 value of 106.2 µg/mL. Brine shrimps are utilized for in vivo cytotoxicity evaluation of the synthesized nanoparticles, which demonstrates that 10% Ni- and 10% Zn-doped CuSe nanoparticles are more damaging on brine shrimp instead on other nanoparticles with a 100% mortality rate. The lung cancer cell line of human (A549) is used to investigate in vitro cytotoxicity. The results indicate that pristine CuSe nanoparticles are more effective in the context of cytotoxicity against the A549 cell lines, possessing an IC50 of 488 µg/mL. The particulars of the outcomes are explained in depth.

Two-dimensional molybdenum tungsten diselenide alloys: photoluminescence, Raman scattering, and electrical transport.

Two-dimensional transition-metal dichalcogenide alloys have attracted intense attention due to their tunable band gaps. In the present work, photoluminescence, Raman scattering, and electrical transport properties of monolayer and few-layer molybdenum tungsten diselenide alloys (Mo1-xWxSe2, 0 ≤ x ≤ 1) are systematically investigated. The strong photoluminescence emissions from Mo1-xWxSe2 monolayers indicate composition-tunable direct band gaps (from 1.56 to 1.65 eV), while weak and broad emissions from the bilayers indicate indirect band gaps. The first-order Raman modes are assigned by polarized Raman spectroscopy. Second-order Raman modes are assigned according to its frequencies. As composition changes in Mo1-xWxSe2 monolayers and few layers, the out-of-plane A1g mode showed one-mode behavior, while B2g(1) (only observed in few layers), in-plane E2g(1), and all observed second-order Raman modes showed two-mode behaviors. Electrical transport measurement revealed n-type semiconducting transport behavior with a high on/off ratio (>10(5)) for Mo1-xWxSe2 monolayers.