Tailoring ZnS nanostructures through precipitation-cum-hydrothermal synthesis for enhanced wastewater purification and antibacterial treatment.

This study presents a novel blend of synthesis techniques for shape-controlled ZnS nanoparticles. Zinc sulfide (ZnS) nanoparticles with distinct morphologies cauliflower-like microstructures (∼4.5 µm) and uniform nanospheres (200-700 nm) were synthesized through an innovative blend of precipitation and hydrothermal techniques. Capping with polyvinylpyrrolidone (PVP) significantly decreased crystallite size (3.93 nm-2.36 nm), modulated the band gap (3.57 eV-3.71 eV), and dramatically influenced morphology, highlighting the novelty of shape-controlled synthesis and its impact on optoelectronic and functional properties. X-ray diffraction confirmed crystallinity and revealed the size-controlling influence of PVP. UV-vis spectroscopy suggested potential tuning of optical properties due to band gap widening upon PVP capping. Field-emission scanning electron microscopy (FESEM) unveiled distinct morphologies: cauliflower-like microstructures for ZnS and uniform nanospheres (200-700 nm) for PVP-ZnS. Both structures were composed of smaller spherical nanoparticles, demonstrating the role of PVP in promoting controlled growth and preventing agglomeration. High-resolution transmission electron microscope (HRTEM) images depicted that the majority of nanoparticles maintain a spherical shape, though slight deviations from perfect sphericity can be discerned. Fourier-transform infrared (FTIR) spectroscopy confirmed that successful PVP encapsulation is crucial for shaping nanospheres and minimizing aggregation through steric hindrance. Photocatalytic activity evaluation using methylene blue (MB) dye degradation revealed significantly faster degradation by PVP-ZnS under ultraviolet (UV) irradiation (within 60 min as compared to 120 min for ZnS), showcasing its superior performance. This improvement can be attributed to the smaller size, higher surface area, and potentially optimized band gap of PVP-ZnS. Additionally, PVP-ZnS exhibited promising antibacterial activity against S. aureus and P. aeruginosa, with increased activity at higher nanoparticle concentrations.

Design, synthesis, and density functional theory studies of a new selective chemosensor for Pb2.

Herein, we have focused on a new colorimetric ligand synthesized from the reaction of 2-hydroxy-5-methylbenzene-1,3-dialdehyde with 2-amino-thiophenol, and investigated its activity as a sensor. In this regard, the sensory activity of the ligand towards different ions (Mn2+, Cu2+, Co2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Ag+, Na+, Cs+, Mg2+, Al3+, Ba2+, K+, and Pb2+) was studied. The specificity of ion bindings is discussed through UV-Vis analysis. The ligand that was synthesized showed remarkable sensitivity, with a detection limit of 0.001 ppb. Additionally, the presence of Pb2+ ions can be visually detected through a color change from colorless to yellow. In the last part of this work, we seek to predict the available experimental measurements. Density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM) are employed to examine the bonding between the ligand and the Pb2+ ion. The effect of water solvent was thoroughly examined for all the steps via the conductor-like Polarizable Continuum Model (CPCM). The theoretical findings revealed that electronic properties, including energy gap, adsorption energy, charge/energy transfer, and optical characteristics, undergo significant changes when Pb2+ cations are present. Hence, it can be inferred that the newly synthesized chemosensor (NC) is highly efficient in detecting Pb2+.