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Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
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The multi-dentate Schiff base ligand (H2L), where H2L=2,2'-(((1,3,5,6)-1-(3-((l1-oxidaneyl)-l5-methyl)-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-di ene-3,5-diylidene)bis(azaneylylidene))bis(3-(4-hydroxyphenyl)propanoic acid), has been prepared from curcumin and L- Tyrosine amino acid. The synthesized Schiff base ligand (H2L) and the second ligand 1,10-phenanthroline (phen) are used to prepare the new complexes [Al(L)(phen)]Cl, K[Ag(L)(phen)] and [Pb(L)(phen)]. The synthesized compounds are characterized by magnetic susceptibility measurements, micro elemental analysis (C.H.N), mass spectrometry, molar conductance, FT-infrared, UV-visible, atomic absorption (AA), 13C-NMR, and 1H-NMR spectral studies. The characterization of the synthesized complexes shows that the environment surrounding the central metal ion in the complexes adopted a distorted octahedral configuration. Moreover, the conductivity measurements show a non-electrolytic character for the [Pb(L)(phen)] complex and an electrolytic character for the [Al(L)(phen)]Cl and K[Ag(L)(phen)] complexes. The experimental infrared data are supported by density functional theory (DFT) calculations using the B3LYP level of theory and LANL2DZ basis set. The vibrational frequencies of the molecules are computed using the optimized geometry obtained from the DFT calculations. The calculated vibrational frequencies have been compared with obtained experimental values. 1H and 13C-NMR chemical shifts were computed for the H2L ligand using the DFT/GIAO method. Additionally, the molecular electronic structures of the complexes have been investigated by DFT calculations.

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Publication Date
Tue Jul 31 2012
Journal Name
Journal Of The College Of Education - University Of Tikrit
Synthesis, Spectroscopic and Biological Studies of some Metal Complexes with 1-phenyl-2(1-phenyl ethylidene) hydrozine.
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Publication Date
Thu Jan 04 2024
Journal Name
World Academy Of Sciences Journal
Antibacterial and antibiofilm activity of klebicin crude extract on clinical isolates of <i>Salmonella</i> and <i>Enterobacter</i>
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Publication Date
Fri Dec 01 2023
Journal Name
Iraqi Journal Of Physics
Eco-Friendly Synthesis of Ag-ZnO Nanocomposite Using Aloe-vera, Hibiscus Sabdariffa Plants and Their Antibacterial and Anti-fungi Activities
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The current study used extracts from the aloe vera (AV) plant and the hibiscus sabdariffa flower to make Ag-ZnO nanoparticles (NPs) and Ag-ZnO nanocomposites (NCs). Ag/ZnO NCs were compared to Ag NPs and ZnO NPs. They exhibited unique properties against bacteria and fungi that aren't present in either of the individual parts. The Ag-ZnO NCs from AV showed the best performance against E. coli, with an inhibition zone of up to 27 mm, compared to the other samples. The maximum absorbance peaks were observed at 431 nm and 410 nm for Ag NPs, at 374 nm and 377 nm for ZnO NPs and at 384 nm and 391 nm for Ag-ZnO NCs using AV leaf extract and hibiscus sabdariffa flower extract, respectively. Using field emission-scanning electron microscopes (FE-

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Publication Date
Sat May 27 2017
Journal Name
Journal Of Pharmaceutical Sciences And Research
Synthesis, Preliminary Antimicrobial Evaluation and Molecular Docking of new Schiff bases of Ceftizoxime
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Schiff bases of Ceftizoxime sodium were synthesized in an attempt to improve the antimicrobial spectrum of Ceftizoxime. Aminothiazole ring of Ceftizoxime is linked directly through an imino group to different aromatic aldehydes reacted by nucleophilic addition using trimethylamine (TEA), as a catalyst and refluxed in methanol. The antimicrobial activity was evaluated for such Schiff bases using disc diffusion method. Molecular docking was conducted on certain penicillin-binding proteins (PBPs) and carboxypeptidases using 1- click docking software. Schiff bases of Ceftizoxime were prepared with reasonable yields and their chemical structures were confirmed by spectral analysis (FTIR, 1H-NMR) and elemental microanalysis (CHNS). The antibacter

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Publication Date
Tue Dec 01 2020
Journal Name
Systematic Reviews In Pharmacy
Synthesis And Preliminary Antimicrobial Evaluation Of Schiff Bases Of N -Benzyl Isatin Derivatives
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Isatin (1H-indole-2, 3-dione) and its analogs are an important class of heterocyclic compounds. N-benzyl isatins and Schiff bases of isatin analogs have been reported to demonstrate a variety of biological activities. This work illustrates the synthesis of new N-benzylisatin Schiff bases and studies their biological activity. Firstly, Isatin and its analogs; 5-methoxyisatin, 5-fluoroisatin reacted with benzyl iodide to obtain N-benzylated derivatives of isatins 2 (ac). Secondly, these compounds were reacted with different amines (sulphanilamide and 4-methyl sulphonyl aniline) separately, to obtain Schiff bases compounds 3 (ac) and 4 (ac), respectively. The synthesized compounds were characterized by using FT-IR and 1HNMR spectroscopy. The s

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Publication Date
Mon Oct 06 2025
Journal Name
Plasmonics
Removal of Mercury Hg(II) from Industrial Wastewater by Formation of TiO₂@Ag/HNT Nanocomposite Using Bio-microwaved Synthesized TiO₂@Ag NPs (Core Shell)
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An environmentally friendly technique was used to prepare titanium dioxide@ silver (core shell) (TiO₂@Ag NPs) using chard leaf extract, a natural stabilizer and reductant. A nanocomposite (NCs) of TiO₂@Ag supported by halloysite nanotubes (HNTs), TiO2@Ag/HNT NCs, was prepared under microwave irradiation. The microwave technique is used to accelerate the reaction and enhance the homogeneity of nanoparticle distribution. Spectroscopic and structural analyses were performed on the resulting nanocomposite. X-ray diffraction (XRD) revealed a clear crystalline structure with grain sizes ranging from 7 to 15 nm, with an average of ~11 nm, the transmission electron microscope (TEM) revealed that the size of nanoparticles in the TiO₂@Ag/HNT N

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Publication Date
Mon Oct 06 2025
Journal Name
Plasmonics
Removal of Mercury Hg(II) from Industrial Wastewater by Formation of TiO₂@Ag/HNT Nanocomposite Using Bio-microwaved Synthesized TiO₂@Ag NPs (Core Shell)
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Publication Date
Fri Jan 01 2016
Journal Name
Tofiq Journal Of Medical Sciences
SYNTHETIC, SPECTROSCOPIC AND ANTIBACTERIAL STUDIES OF Co(II),Ni(II),Cu(II),Zn(II),Cd(II)AND Hg (II),MIXED LIGAND COMPLEXES OF TRIMETHOPRIME ANTIBIOTIC AND ANTHRANILIC ACID
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Mixed ligand complexes of bivalent metal ions, viz ; M= Co(II),Ni(II),Cu(II), Zn(II), Cd (II), and Hg(II) of the composition [M(Anth)2(TMP)] in 1:2:1 molar ratio, (where . AnthrH= Anthranilic acid (C7H7NO2) and Trimethoprime (TMP) = (C14H18N4O3) have been synthesized and characterized by repeated melting point determination, Solubility, Molar conductivity (Λm ),determination the percentage of the metal (M%) in the complexes by (AAS), FT-IR, magnetic susceptibility measurements [μeff (BM)] and electronic spectral data. The two ligands and their metal complexes have been screened for their bacterial activity against selected microbial strains (Gram +ve) & (Gram -ve).

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Publication Date
Wed Jun 01 2016
Journal Name
Tofiq Journal Of Medical Sciences
SYNTHETIC, SPECTROSCOPIC AND ANTIBACTERIAL STUDIES OF CO(II),NI(II),CU(II),ZN(II),CD(II)AND HG (II),MIXED LIGAND COMPLEXES OF TRIMETHOPRIME ANTIBIOTIC AND ANTHRANILIC ACID
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Mixed ligand complexes of bivalent metal ions, viz ; M= Co(II),Ni(II),Cu(II), Zn(II), Cd (II), and Hg(II) of the composition [M(Anth)2(TMP)] in 1:2:1 molar ratio, (where . AnthrH= Anthranilic acid (C7H7NO2) and Trimethoprime (TMP) = (C14H18N4O3) have been synthesized and characterized by repeated melting point determination, Solubility, Molar conductivity (Λm ),determination the percentage of the metal (M%) in the complexes by (AAS), FT-IR, magnetic susceptibility measurements [µeff (BM)] and electronic spectral data. The two ligands and their metal complexes have been screened for their bacterial activity against selected microbial strains (Gram +ve) & (Gram -ve).

Publication Date
Sun Jun 13 2021
Journal Name
Molecular Crystals And Liquid Crystals
Liquid crystal behavior of Ag(I) complexes based on a series of mesogenic 1,3,4-thiadiazole ligands
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