article · Applied Organometallic Chemistry
Researchers synthesized a novel organic ligand by reacting 5-amino-1,3,4-thiadiazole-2-thiol with 1,2-dibromoethane, subsequently creating new metal complexes containing erbium, ytterbium, and tantalum. Multiple spectroscopic, magnetic, and theoretical techniques confirmed the chemical structures and demonstrated an octahedral geometry around the central metal ions. Biological evaluations revealed that the complexes possess antibacterial properties against both Gram-negative and Gram-positive bacteria, including Escherichia coli, Pseudomonas aeruginosa, Bacillus subtilis, and Staphylococcus aureus, though they showed no activity against tested fungal strains. Molecular docking demonstrated strong binding affinities with targeted protein receptors, and biochemical assays indicated potential antioxidant activity. Furthermore, electrochemical tests showed that the thiadiazole ligand effectively acts as a corrosion inhibitor, reducing the degradation rate of aluminium-silicon alloys exposed to an acidic hydrochloric acid environment.
Bacterial infections, oxidative stress, and the degradation of industrial metals present ongoing technological and healthcare challenges. By creating multifunctional chemical compounds that offer antibacterial protection, antioxidant capabilities, and metal corrosion inhibition simultaneously, this study provides versatile material candidates capable of addressing both industrial maintenance needs and biomedical applications.
This work is at an early experimental stage, focusing on laboratory synthesis and initial bioactivity and corrosion assays. Potential applications include industrial corrosion inhibitors for aluminium-silicon alloys and antibacterial or antioxidant agents for pharmaceuticals. Moving toward commercialisation would require substantial development, including toxicity evaluations, formulation testing, and scale-up studies.
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The condensation reaction between 5‐amino‐1,3,4‐thiadiazole‐2‐thiol and 1,2‐dibromoethane to afford the ligand L was carried out in direct to obtain the desired organic ligand. New [Er(L)ClH 2 O]Cl 2 ·3H 2 O, [Yb(L)(H 2 O) 2 ]Cl 3 ·4H 2 O, and [Ta(L)Cl 2 ]Cl 3 ·4H 2 O complexes have been prepared from (L) by reacting one mole from metal ions with one mole from L. In addition to their physical characteristics, they were described using spectroscopic techniques (infrared [IR], nuclear magnetic resonance [NMR], and UV–Vis), gas chromatography (GC)‐mass, and X‐ray powder diffraction. Further interpretation of complex structures was supported by measurements of molar conductivity, magnetic susceptibility, mole ratio, and thermodynamic investigations in addition to theoretical study through the use of density functional theory and characterization techniques. IR spectral data showed the mode of action of the neutral tetradentate L ligand and its coordination via two N‐amine and two S‐thiols. The octahedral geometry surrounding the central lanthanide ions was suggested by the magnetic moments, diffused reflectance, and spectral data. Molar conductivity results exposed that Yb(III) and Ta(V) chelates were 1:3 electrolytes and Er(III) chelate was 1:2 electrolyte. In addition, practically all the complexes demonstrated effective antimicrobial activity against Escherichia coli , Pseudomonas aeruginosa , Bacillus subtilis , and Staphylococcus aureus species, via inhibition zone diameters in 9–15 mm mg −1 range. However, neither Candida albicans nor Aspergillus flavus species were susceptible to their antifungal effects. Finally, molecular docking (MOE) experiments showed the significant binding affinity of the ligand and its complexes with several 6KOC, 6LU4, and 6LU4 protein receptors. Finally, it is important to emphasize that these complexes may be potential antioxidant agents according to the biochemical results. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PP) methods were accustomed to examine the corrosion inhibition of aluminum silicon alloys (AlSi) in 1 M HCl solution. Experimental measurements indicate that the thiadiazole ligand reduces the corrosion rate.
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DOI: 10.1002/aoc.7015
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