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Mohammed, Mohammed K.
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Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Environmental Science Materials Science & Nanotechnology Physics

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Synthesis, Characterization of Novel Azo Compounds as Corrosion Inhibitors for Carbon Steel in HCl, and Their Theoretical Study Jarallah, Hanadi M.; Dhaef, Hawraa Kareem; Mohammed, Mohammed K.; Ismal, Sadiq M. H.; Hussein, Ala’a Ali
Science and Technology Indonesia Vol. 11 No. 1 (2026): January
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2026.11.1.84-95

Abstract

Two azo compounds were produced, and their chemical properties were validated using spectroscopic methods (mass and 1H NMR). A potential dynamic polarization approach was employed to evaluate the synthesized derivatives as corrosionreducing materials for carbon steel in a 1 M HCl solution. The derived products, (E)-4-((3-(tert-butyl)-2-hydroxy-5-methoxyphenyl)diazenyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide (I) and (E)-4-((2-hydroxynaphthalen-1-yl)diazenyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide (II) achieved 89.9% and 83.02% inhibition rates at 5 × 10−3 M concentrations, Langmuir was aligned with the isotherm adsorptions of these materials. Density functional theory was employed to assess the quantum chemical characteristics of azo-based inhibitors. A conceptual assessment was performed using DFT/B3LYP 6-311+G (d,p) to evaluate the structure of the molecule, its physical and chemical properties, and the electronic factors that impact its inhibitory significance. The DFT outcomes were aligned with the practical records.
Heterocyclic Azo Compounds, Synthesis, Characterization, Evaluation as Antimicrobial, and Theoretical Study Mohammed, Mohammed K.; Al-Jaber, Afrah A.; Al-Asadi, Rafid H.; Dhaef, Hawraa K.
Science and Technology Indonesia Vol. 11 No. 2 (2026): April
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2026.11.2.489-501

Abstract

Five azo compounds, including N-(3-hydroxyphenyl) maleimide, were synthesized and characterized using FT-IR, 1H-NMR, 13C-NMR, and mass spectroscopy. The compounds were evaluated for antibacterial activity against Staphylococcus aureus and Pseudomonas aeruginosa using the disk diffusion method. The screening results showed that the azo compounds tested were effective against the bacteria tested, particularly Staphylococcus aureus. The geometry optimization of the molecular structures and the energy calculations for compounds 1-5 were performed using the density functional approach. Molecular docking was conducted to examine the interaction of the synthesized compound 1 with two bacterial receptors and one viral receptor (neuraminidase). It was found that they would target the PDB:4CJN protein, for which the compound yielded the lowest binding energy.
Co-Authors Al-Asadi, Rafid H. Al-Jaber, Afrah A. Dhaef, Hawraa K. Dhaef, Hawraa Kareem Hussein, Ala’a Ali Ismal, Sadiq M. H. Jarallah, Hanadi M.