RESUMEN
In this study, conducting polymers composed of polyaniline hydrochloric acid (PANI/HCl) with varying concentrations of a newly synthesized azo-azomethine dye (4-(((Z)-2-hydroxy-5-((Z)-(4-hydroxyphenyl)diazenyl)-3-methoxybenzylidene)amino)benzoic acid) were synthesized using a chemical oxidative polymerization technique. The synthesized azo-azomethine was characterized by FTIR, 1H-NMR, 13C-NMR, and HRMS. The effects of varying the concentration of the dopant azo-azomethine in PANI/HCl on its optical, structural, thermal, and electrical properties were examined using FTIR, UV-Vis, XRD, FESEM, TEM, cyclic voltammetry, and electrical impedance spectra. The results indicate that the optical, direct, and indirect band gaps of the doped polymers decreased from 4.48 and 3.96 eV to 3.91 and 2.49 eV, respectively. The crystalline structure and phase transitions in the doped polymers were examined using X-ray diffraction. Cyclic voltammetry demonstrated that the doped polymers exhibited higher electrochemical conductivity compared to the pure polymer, with the specific capacitance increasing from 161.17 to 816.9 F/g. The electrical impedance spectra revealed the bulk resistance and conductivity of the material. Among all the doped polymers, PANI/HCl with an azo-azomethine concentration of 5 × 10-5 M exhibited lower bulk resistance (10 Ω) and higher electrical conductivity (σ = 50.09 × 10-3 S cm-1).
RESUMEN
In this work, Schiff bases and Thiazolidin-4-ones, were synthesized using Sonication and Microwave techniques, respectively. The Schiff base derivatives (3a-b) were synthesized via the reaction of Sulfathiazole (1) with benzaldehyde derivatives (2a-b), followed by the synthesis of 4-thiazoledinone (4a-b) derivatives by cyclizing the synthesized Schiff bases through thioglycholic acid. All the synthesized compounds were characterized by spectroscopic techniques such as FT IR, NMR and HRMS. The synthesized compounds were tested for their in vitro antimicrobial and antioxidant and in vivo cytotoxicity and hemolysis ability. The synthesized compounds displayed better antimicrobial and antioxidant activity and low toxicity in comparison to reference drugs and negative controls, respectively. The hemolysis test revealed the compounds exhibit lower hemolytic effects and hemolytic values are comparatively low and the safety of compounds is in comparison with standard drugs. Theoretical calculations were carried out by using the molecular operating environment (MOE) and Gaussian computing software and observations were in good agreement with the in vitro and in vivo biological activities. Petra/Osiris/Molinspiration (POM) results indicate the presence of three combined antibacterial, antiviral and antitumor pharmacophore sites. The molecular docking revealed the significant binding affinities and non-bonding interactions between the compounds and Erwinia Chrysanthemi (PDB ID: 1SHK). The molecular dynamics simulation under in silico physiological conditions revealed a stable conformation and binding pattern in a stimulating environment. HighlightsNew series of Thaiazolidin-4-one derivatives have been synthesized.Sonication and microwave techniques are used.Antimicrobial, Antioxidant, cytotoxicity, and hemolysis activities were observed for all synthesized compounds.Molecular Docking and DFT/POM analyses have been predicted.Communicated by Ramaswamy H. Sarma.