Browsing by Author "Boukherroub, Rabah"

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    Pubmed
    Synthesis and characterization of new 1,3,4-thiadiazole derivatives: study of their antibacterial activity and CT-DNA binding.
    (2022-10-17T00:00:00Z) Sayiner, Hakan S; Yilmazer, Mehmet I; Abdelsalam, Aisha T; Ganim, Mohamed A; Baloglu, Cengiz; Altunoglu, Yasemin Celik; Gür, Mahmut; Saracoglu, Murat; Attia, Mohamed S; Mahmoud, Safwat A; Mohamed, Ekram H; Boukherroub, Rabah; Al-Shaalan, Nora Hamad; Alharthi, Sarah; Kandemirli, Fatma; Amin, Mohammed A
    1,3,4-Thiadiazole molecules (1-4) were synthesized by the reaction of phenylthiosemicarbazide and methoxy cinnamic acid molecules in the presence of phosphorus oxychloride, and characterized with UV, FT-IR, C-NMR, and H-NMR methods. DFT calculations (b3lyp/6-311++G(d,p)) were performed to investigate the structures' geometry and physiochemical properties. Their antibacterial activity was screened for various bacteria strains such as , ATCC 13048, , , , and Gram positive such as ATCC 25923, ATCC 7644, , , ATCC, , , , alfa , and found to have an inhibitory effect on and , while molecules 1, 3 and 4 had an inhibitory effect on and alpha . The experimental results were supported by the docking study using the Kinase ThiM from . All the investigated compounds showed an inhibitory effect for the protein. In addition, the mechanism of the 1-4 molecule interaction with calf thymus-DNA (CT-DNA) was investigated by UV-vis spectroscopic methods.
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    Pubmed
    Synthesis of Cyano-Benzylidene Xanthene Synthons Using a Diprotic Brønsted Acid Catalyst, and Their Application as Efficient Inhibitors of Aluminum Corrosion in Alkaline Solutions.
    (2022-09-05T00:00:00Z) Amin, Mohammed A; Mersal, Gaber A M; El-Hendawy, Morad M; Shaltout, Abdallah A; Badawi, Ali; Boman, Johan; Gobouri, Adil A; Saracoglu, Murat; Kandemirli, Fatma; Boukherroub, Rabah; Ryl, Jacek; Khalifa, Mohamed E
    Novel cyano-benzylidene xanthene derivatives were synthesized using one-pot and condensation reactions. A diprotic Brønsted acid (i.e., oxalic acid) was used as an effective catalyst for the promotion of the synthesis process of the new starting xanthene-aldehyde compound. Different xanthene concentrations (ca. 0.1-2.0 mM) were applied as corrosion inhibitors to control the alkaline uniform corrosion of aluminum. Measurements were conducted in 1.0 M NaOH solution using Tafel extrapolation and linear polarization resistance (LPR) methods. The investigated xanthenes acted as mixed-type inhibitors that primarily affect the anodic process. Their inhibition efficiency values were enhanced with inhibitor concentration, and varied according to their chemical structures. At a concentration of 2.0 mM, the best-performing studied xanthene derivative recorded maximum inhibition efficiency values of 98.9% (calculated via the Tafel extrapolation method) and 98.4% (estimated via the LPR method). Scanning electron microscopy (SEM) was used to examine the morphology of the corroded and inhibited aluminum surfaces, revealing strong inhibitory action of each studied compound. High-resolution X-ray photoelectron spectroscopy (XPS) profiles validated the inhibitor compounds' adsorption on the Al surface. Density functional theory (DFT) and Monte Carlo simulations were applied to investigate the distinction of the anticorrosive behavior among the studied xanthenes toward the Al (111) surface. The non-planarity of xanthenes and the presence of the nitrile group were the key players in the adsorption process. A match between the experimental and theoretical findings was evidenced.