Electrospun Polymeric Nanofibers: Current Trends in Synthesis, Surface Modification, and Biomedical Applications.

Electrospun polymeric nanofibers are essential in various fields for various applications because of their unique properties. Their features are similar to extracellular matrices, which suggests them for applications in healthcare fields, such as antimicrobials, tissue engineering, drug delivery, wound healing, bone regeneration, and biosensors. This review focuses on the synthesis of electrospun polymeric nanofibers, their surface modification, and their biomedical applications. Nanofibers can be fabricated from both natural and synthetic polymers and their composites. Even though they mimic extracellular matrices, their surface features (physicochemical characteristics) are not always capable of fulfilling the purpose of the target application. Therefore, they need to be improved via surface modification techniques. Both needle-based and needleless electrospinning are thoroughly discussed. Various techniques and setups employed in each method are also reviewed. Furthermore, pre- and postspinning modification approaches for electrospun nanofibers, including instrument design and the modification features for targeted biomedical applications, are also extensively discussed. In this way, the remarkable potential of electrospun polymeric nanofibers can be highlighted to reveal future research directions in this dynamic field.

Triazole based Schiff bases and their oxovanadium(IV) complexes: Synthesis, characterization, antibacterial assay, and computational assessments.

The synthesis and characterization of two new Schiff base ligands containing 1,2,4-triazole moieties and their oxovanadium(IV) complexes have been reported. The ligands and their complexes were studied by ultraviolet-visible (UV-Vis), Fourier transform infrared (FTIR), proton nuclear magnetic resonance (1H NMR), electron paramagnetic resonance (EPR), X-ray diffraction (XRD), conductivity measurement, cyclic voltammetry (CV), and elemental analyses. The molar conductance of oxovanadium(IV) complexes were found to be relatively low, depicting their non-electrolytic nature. The XRD patterns reveal the size of particles to be 47.53 nm and 26.28 nm for the two complexes in the monoclinic crystal system. The molecular structures, geometrical parameters, chemical reactivity, stability, and frontier molecular orbital pictures were determined by density functional theory (DFT) calculations. The theoretical vibrational frequencies and EPR g-factors (1.98) were found to correlate well with the experimental values. A distorted square pyramidal geometry with C2 symmetry of the complexes has been proposed from experimental and theoretical results in a synergistic manner. The antimicrobial sensitivity of the ligands and their metal complexes assayed in vitro against four bacterial pathogens viz. Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, and Salmonella Typhi showed that the oxovanadium(IV) complexes are slightly stronger antibacterial agents than their corresponding Schiff base precursors. The binding affinities obtained from the molecular docking calculations with the receptor proteins of bacterial strains (2EUG, 3UWZ, 4GVF, and 4JVD) showed that the Schiff bases and their oxovanadium(IV) complexes have considerable capacity inferring activeness for effective inhibition. The molecular dynamics simulation of a protein-ligand (4JVD-HL2) complex with the best binding affinity of -12.8 kcal/mol for 100 ns showed acceptable stability of the docked pose and binding free energy of -15.17 ± 2.29 kcal/mol from molecular mechanics-generalized Born surface area (MM-GBSA) calculations indicated spontaneity of the reaction. The outcome of the research shows the complementary role of computational methods in material characterization and provides an interesting avenue to pursue for exploring new triazole based Schiff's bases and its vanadium compounds for better properties.