Dr. Ehab Abdalla - Academia.edu (original) (raw)
Papers by Dr. Ehab Abdalla
Journal of Saudi Chemical Society
Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycy... more Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycyl)-N-(p-tolyl) hydrazine-1-carbothioamide (H 2 L B). The structural makeup of the new compounds was clarified using analytical and spectroscopic techniques. Then, using the Gaussian09 software, geometry optimization was done for each synthesis. Furthermore, the compound's antibacterial and anticancer properties were evaluated against different types of bacteria and the HepG2 cell line using non-irradiated and irradiated complexes, where the complex (A 1) is higher than them. It was proposed that only an intercalation or replacement technique was used when the ligand and complexes [Co(H 2 L)(NO 3) 2 ]H 2 O (B 1 , A 1) interacted with CT-DNA. Calculations were made for the intrinsic binding constant Kb. According to a molecular docking study, the ligands and complexes revealed fascinating interactions with the amino acids in the ribosyltransferase active site. (Code: 3GEY). Peer review under responsibility of King Saud University. Production and hosting by Elsevier.
Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycy... more Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycyl)-N-(p-tolyl) hydrazine-1-carbothioamide (H 2 L B). The structural makeup of the new compounds was clarified using analytical and spectroscopic techniques. Then, using the Gaussian09 software, geometry optimization was done for each synthesis. Furthermore, the compound's antibacterial and anticancer properties were evaluated against different types of bacteria and the HepG2 cell line using non-irradiated and irradiated complexes, where the complex (A 1) is higher than them. It was proposed that only an intercalation or replacement technique was used when the ligand and complexes [Co(H 2 L)(NO 3) 2 ]H 2 O (B 1 , A 1) interacted with CT-DNA. Calculations were made for the intrinsic binding constant Kb. According to a molecular docking study, the ligands and complexes revealed fascinating interactions with the amino acids in the ribosyltransferase active site. (Code: 3GEY). Peer review under responsibility of King Saud University. Production and hosting by Elsevier.
Arabian Journal for Science and Engineering
New complexes of molecular formulae of [Cu(H2L1)I] (B1), [Cu(H2L)2(ClO4)2](B2), [Zn (H2L)2(H2O)]S... more New complexes of molecular formulae of [Cu(H2L1)I] (B1), [Cu(H2L)2(ClO4)2](B2), [Zn (H2L)2(H2O)]SO4(B3) and [Cd(H2L)Cl]Cl(B4) of ligand N-phenyl-2-(p-tolylglycyl)hydrazine -1-carbothioamide (B) have been prepared and characterized by 1H-NMR, Mass spectra, FT-IR, elemental analyses, molar conductance, UV–visible spectra, magnetic susceptibility measurements, thermogravimetric analysis (TGA/DTG) and X-ray powder diffraction before and after irradiation. Elemental analyses indicate that the metal complexes have 1:1 (metal/ ligand) (B1 and B4) or 1:2 stoichiometry for complexes (B2 and B3). The results confirmed that gamma ray enhanced the stability of irradiated compounds as compared to non-irradiated compounds. XRD patterns proved that increasing the crystallinity of the samples and the particles is in nanosize range before and after gamma irradiation. These studies revealed that Cu(II) and Zn(II) complexes adopted octahedral geometry, and Cu(I) and Cd(II) complexes were found to be t...
Scientific Reports
In this study, four new Mn(II), Fe(III), and Cr(III) complexes with two Schiff base ligands namel... more In this study, four new Mn(II), Fe(III), and Cr(III) complexes with two Schiff base ligands namely, 4-bromo-2-[(E)-{[4-(2-hydroxyethyl)phenyl]imino}methyl]phenol (HL1) and 2-[(E)-{[4-(2-hydroxyethyl)phenyl]imino}methyl]-4-methoxy phenol (HL2) have been synthesized and characterized. Different analytical and spectral methods have been used to characterize the ligands and their complexes. General formulas of [M(L)Cl2(H2O)2] for FeL1, CrL1 and CrL2, and [M(L)Cl(H2O)3] for MnL2 were proposed. HOMO and LUMO energies, as well as the electrical characteristics, have been calculated using DFT/B3LYP calculations with Gaussian 09 program. The optimized lowest energy configurations of the complexes are proven. The disc diffusion technique was used to test the pharmacological activities' antibacterial efficacy against diverse bacterial and fungus species. The MTT technique was used to assess the in vitro cytotoxicity of the ligands and their metal complexes on the Hep-G2 human liver carcino...
Pharmaceuticals
Wound dressings created using nanotechnology are known as suitable substrates to speed up the hea... more Wound dressings created using nanotechnology are known as suitable substrates to speed up the healing of both acute and chronic wounds. Therapeutic substances can be delivered using these materials. In this study, a hydrogel loaded with Cu (II) Schiff base 8-hydroxy quinoline complex (CuSQ) solid lipid nanoparticles (SLN) was formulated to investigate its wound healing potential in an excision wound healing model in rats. The CuSQ SLN were spherical shaped with sizes ranging from 111 to 202 nm and a polydispersity index (PDI) ranging from 0.43 to 0.76, encapsulation efficiency (EE) % between 85 and 88, and zeta potential (ZP) of −11.8 to −40 mV. The formulated hydrogel showed good homogeneity, good stability, and a pH of 6.4 which indicates no skin irritation and had no cytotoxicity on the human skin fibroblast (HSF) cell line. In the in vivo study, animals were placed in five groups: control, standard, plain hydrogel, low dose, and high dose of CuSQ hydrogel. Both doses of CuSQ sho...
Molecules
Four new complexes (Ni2+, Cu2+, Ag+, and Hg2+) were prepared from the ligand N-(4-chlorophenyl)-2... more Four new complexes (Ni2+, Cu2+, Ag+, and Hg2+) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H2L). Analytical and spectroscopic techniques were used to clarify the structural composition of the new chelates. In addition, all chelates were tested against bacterial strains and the HepG2 cell line to determine their antiseptic and carcinogenic properties. The Ni(II) complex was preferable to the other chelates. Molecular optimization revealed that H2L had the highest reactivity, followed by Hg-chelate, Ag-chelate, Ni-chelate, and Cu-chelate. Moreover, molecular docking was investigated against two different proteins: the ribosyltransferase enzyme (code: 3GEY) and the EGFR tyrosine kinase receptor (code: 1m17).
Bioinorganic Chemistry and Applications
A new series of Zr(IV), V(IV), Ru(III), and Cd(II) complexes with the ligand N-((5-hydroxy-4-oxo-... more A new series of Zr(IV), V(IV), Ru(III), and Cd(II) complexes with the ligand N-((5-hydroxy-4-oxo-4H-pyran-3-yl)methylene)-2-(p-tolylamino)acetohydrazide (H2L) have been prepared. FT-IR, 1H-NMR, electronic spectra, powder X-ray, and thermal behavior methods were applied to elucidate the structural composition of new compounds. Geometry optimization for all synthesized compounds was conducted using the Gaussian09 program via the DFT method, to obtain optimal structures and essential parameters. Moreover, the antibacterial and antitumor activity of the ligand and its complexes were studied, where the Cd(II) complex acquires probably the best antibacterial activity followed by the Ru(III) complex towards bacterial species than others when using ampicillin and gentamicin were used as standard drugs. The complexes exhibited interestingly antitumor potential against the MCF-7 breast cancer cell line. The cytotoxicity of the new complexes has been arranged to follow the order: Ru(III) compl...
Egyptian Journal of Chemistry
Applied Organometallic Chemistry, 2021
In this study, five novel complexes for Co(II), Ni(II), VO(II), Cr(III), and La(III) ions were sy... more In this study, five novel complexes for Co(II), Ni(II), VO(II), Cr(III), and La(III) ions were synthesized from a tridentate NNO monobasic chelating Schiff base ligand, (Z)‐2‐((pyridin‐2‐ylimino)methyl)phenol (HL). Spectral and analytical tools were applied to elucidate the structural compositions of the new compounds. Then, geometry optimization was conducted for all the syntheses by the Gaussian 09 program via the density functional theory method to obtain optimal structures and the most essential parameters. Moreover, the biochemical behaviors of all the syntheses were explored based on the reactivity, which was tested against various cancer cell lines (HepG‐2, MCF‐7, and HCT‐116). The complexes exhibited an interestingly antiproliferative potential against human cancer cell lines, and the cytotoxicities of the new complexes were arranged to follow the order: VOL > CrL > NiL > LaL > CoL > HL. The antioxidant behaviors of the complexes were studied using the DPPH assay, and VOL showed the maximum antioxidant activity, followed by LaL. The antibacterial activities of the HL ligand and its complexes were studied. Moreover, the binding nature of the complexes with calf thymus DNA (CT‐DNA) was investigated based on the spectrophotometric absorption titration, viscosity, and gel electrophoresis methods. The binding ability of the complexes with CT‐DNA was proposed to be just intercalation or replacement mode. The intrinsic binding constant Kb was calculated and arranged based on the following order: VOL (5.2 × 105) > CrL (3.6 × 105) > NiL (3.3 × 105) > LaL (3.0 × 105) > CoL (1.12 × 105) mol−1 dm−3. Docking investigations were performed using the receptors of COVID‐19's main protease viral protein (PDB ID: 6LU7) and Escherichia coli (gram [–ve] bacteria [PDB ID: 1fj4]). [ABSTRACT FROM AUTHOR] Copyright of Applied Organometallic Chemistry is the property of John Wiley & Sons, Inc. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Molecules, 2021
New Pb(II), Mn(II), Hg(II), and Zn(II) complexes, derived from 4-(4-chlorophenyl)-1-(2-(phenylami... more New Pb(II), Mn(II), Hg(II), and Zn(II) complexes, derived from 4-(4-chlorophenyl)-1-(2-(phenylamino)acetyl)thiosemicarbazone, were synthesized. The compounds with general formulas, [Pb(H2L)2(OAc)2]ETOH.H2O, [Mn(H2L)(HL)]Cl, [Hg2(H2L)(OH)SO4], and [Zn(H2L)(HL)]Cl, were characterized by physicochemical and theoretical studies. X-ray diffraction studies showed a decrease in the crystalline size of compounds that were exposed to gamma irradiation (γ-irradiation). Thermal studies of the synthesized complexes showed thermal stability of the Mn(II) and Pb(II) complexes after γ-irradiation compared to those before γ–irradiation, while no changes in the Zn(II) and Hg(II) complexes were observed. The optimized geometric structures of the ligand and metal complexes are discussed regarding density functional theory calculations (DFT). The antimicrobial activities of the ligand and metal complexes against several bacterial and fungal stains were screened before and after irradiation. The Hg(II) ...
Molecules, 2021
Despite the common use of salens and hydroxyquinolines as therapeutic and bioactive agents, their... more Despite the common use of salens and hydroxyquinolines as therapeutic and bioactive agents, their metal complexes are still under development. Here, we report the synthesis of novel mixed-ligand metal complexes (MSQ) comprising salen (S), derived from (2,2′-{1,2-ethanediylbis[nitrilo(E) methylylidene]}diphenol, and 8-hydroxyquinoline (Q) with Co(II), Ni(II), Cd(II), Al(III), and La(III). The structures and properties of these MSQ metal complexes were investigated using molar conductivity, melting point, FTIR, 1H NMR, 13C NMR, UV–VIS, mass spectra, and thermal analysis. Quantum calculation, analytical, and experimental measurements seem to suggest the proposed structure of the compounds and its uncommon monobasic tridentate binding mode of salen via phenolic oxygen, azomethine group, and the NH group. The general molecular formula of MSQ metal complexes is [M(S)(Q)(H2O)] for M (II) = Co, Ni, and Cd or [M(S)(Q)(Cl)] and [M(S)(Q)(H2O)]Cl for M(III) = La and Al, respectively. Importantl...
Journal of Molecular Structure, 2021
Abstract A new thiazolidine derivative, 3,3′-ethane-1,2-diylbis(2-benzylidene-1,3-thiazolidin-4-o... more Abstract A new thiazolidine derivative, 3,3′-ethane-1,2-diylbis(2-benzylidene-1,3-thiazolidin-4-one (4) was synthesized and the product obtained was characterized by NMR, IR and mass spectral studies, and the structure was confirmed by single crystal X-ray diffraction studies. The title compound crystallizes in the monoclinic space group P21/n, the unit cell parameters are a = 15.9505(8) A, b = 6.6818(3) A, c = 18.1799(9) A, β = 94.249(2)° and Z = 4 at 150 K. In the title molecule, C20H18N4O2S2, the thiazolidine rings adopt a "pincer" conformation with the phenylimino substituents extending outwards on both sides. A layer structure is formed in the crystal by C—H···N and C—H···O hydrogen bonds. A Hirshfeld surface analysis was used to explore the nature of the intermolecular interactions in the crystal structure employing molecular surface contours and 2D fingerprint plots have been used to examine molecular shapes. The frontier orbital analysis shows that 4 should be more sensitive to a nucleophilic attack than an electrophilic attack. Molecular docking, followed by molecular dynamics simulation and MM-GBSA binding free energy was carried out to predict the binding affinity of 4 for α-amylase enzyme. These analyses revealed good intermolecular stability of the complex with stable high affinity intermolecular complex formation of high equilibrium nature.
Applied Organometallic Chemistry, 2021
Canadian Journal of Chemistry, 2014
The electrochemical behavior of ascorbic acid (AA), dopamine (DA), and uric acid (UA) on a dl-nor... more The electrochemical behavior of ascorbic acid (AA), dopamine (DA), and uric acid (UA) on a dl-norvaline-modified glassy carbon electrode (GCE) was studied by cyclic voltammetry. The bare GCE failed to distinguish the oxidation peaks of AA, DA, and UA in phosphate-buffered solution (pH 5.0), while the dl-norvaline-modified GCE could separate them efficiently. In differential pulse voltammetric (DPV) measurements, the modified electrode resolved the overlapped voltammetric responses of AA, DA, and UA into three well-defined voltammetric peaks. Under optimum conditions, the anodic peak currents of DPV for AA, DA, and UA were proportional to the concentration in the range of 20–400, 1–40, and 15–180 μmol/L, respectively, with a correlation coefficient (r) of around 0.998. The detection limits were 5, 0.3, and 10 μmol/L (S/N = 3) for AA, DA, and UA, respectively. Satisfactory results were achieved for the determination of AA in vitamin C tablets, DA in a dopamine ampoule sample, and UA i...
Journal of Saudi Chemical Society
Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycy... more Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycyl)-N-(p-tolyl) hydrazine-1-carbothioamide (H 2 L B). The structural makeup of the new compounds was clarified using analytical and spectroscopic techniques. Then, using the Gaussian09 software, geometry optimization was done for each synthesis. Furthermore, the compound's antibacterial and anticancer properties were evaluated against different types of bacteria and the HepG2 cell line using non-irradiated and irradiated complexes, where the complex (A 1) is higher than them. It was proposed that only an intercalation or replacement technique was used when the ligand and complexes [Co(H 2 L)(NO 3) 2 ]H 2 O (B 1 , A 1) interacted with CT-DNA. Calculations were made for the intrinsic binding constant Kb. According to a molecular docking study, the ligands and complexes revealed fascinating interactions with the amino acids in the ribosyltransferase active site. (Code: 3GEY). Peer review under responsibility of King Saud University. Production and hosting by Elsevier.
Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycy... more Three new Co (II), Ag (I), and Cd (II) ion complexes were created from the ligand, 2-(phenylglycyl)-N-(p-tolyl) hydrazine-1-carbothioamide (H 2 L B). The structural makeup of the new compounds was clarified using analytical and spectroscopic techniques. Then, using the Gaussian09 software, geometry optimization was done for each synthesis. Furthermore, the compound's antibacterial and anticancer properties were evaluated against different types of bacteria and the HepG2 cell line using non-irradiated and irradiated complexes, where the complex (A 1) is higher than them. It was proposed that only an intercalation or replacement technique was used when the ligand and complexes [Co(H 2 L)(NO 3) 2 ]H 2 O (B 1 , A 1) interacted with CT-DNA. Calculations were made for the intrinsic binding constant Kb. According to a molecular docking study, the ligands and complexes revealed fascinating interactions with the amino acids in the ribosyltransferase active site. (Code: 3GEY). Peer review under responsibility of King Saud University. Production and hosting by Elsevier.
Arabian Journal for Science and Engineering
New complexes of molecular formulae of [Cu(H2L1)I] (B1), [Cu(H2L)2(ClO4)2](B2), [Zn (H2L)2(H2O)]S... more New complexes of molecular formulae of [Cu(H2L1)I] (B1), [Cu(H2L)2(ClO4)2](B2), [Zn (H2L)2(H2O)]SO4(B3) and [Cd(H2L)Cl]Cl(B4) of ligand N-phenyl-2-(p-tolylglycyl)hydrazine -1-carbothioamide (B) have been prepared and characterized by 1H-NMR, Mass spectra, FT-IR, elemental analyses, molar conductance, UV–visible spectra, magnetic susceptibility measurements, thermogravimetric analysis (TGA/DTG) and X-ray powder diffraction before and after irradiation. Elemental analyses indicate that the metal complexes have 1:1 (metal/ ligand) (B1 and B4) or 1:2 stoichiometry for complexes (B2 and B3). The results confirmed that gamma ray enhanced the stability of irradiated compounds as compared to non-irradiated compounds. XRD patterns proved that increasing the crystallinity of the samples and the particles is in nanosize range before and after gamma irradiation. These studies revealed that Cu(II) and Zn(II) complexes adopted octahedral geometry, and Cu(I) and Cd(II) complexes were found to be t...
Scientific Reports
In this study, four new Mn(II), Fe(III), and Cr(III) complexes with two Schiff base ligands namel... more In this study, four new Mn(II), Fe(III), and Cr(III) complexes with two Schiff base ligands namely, 4-bromo-2-[(E)-{[4-(2-hydroxyethyl)phenyl]imino}methyl]phenol (HL1) and 2-[(E)-{[4-(2-hydroxyethyl)phenyl]imino}methyl]-4-methoxy phenol (HL2) have been synthesized and characterized. Different analytical and spectral methods have been used to characterize the ligands and their complexes. General formulas of [M(L)Cl2(H2O)2] for FeL1, CrL1 and CrL2, and [M(L)Cl(H2O)3] for MnL2 were proposed. HOMO and LUMO energies, as well as the electrical characteristics, have been calculated using DFT/B3LYP calculations with Gaussian 09 program. The optimized lowest energy configurations of the complexes are proven. The disc diffusion technique was used to test the pharmacological activities' antibacterial efficacy against diverse bacterial and fungus species. The MTT technique was used to assess the in vitro cytotoxicity of the ligands and their metal complexes on the Hep-G2 human liver carcino...
Pharmaceuticals
Wound dressings created using nanotechnology are known as suitable substrates to speed up the hea... more Wound dressings created using nanotechnology are known as suitable substrates to speed up the healing of both acute and chronic wounds. Therapeutic substances can be delivered using these materials. In this study, a hydrogel loaded with Cu (II) Schiff base 8-hydroxy quinoline complex (CuSQ) solid lipid nanoparticles (SLN) was formulated to investigate its wound healing potential in an excision wound healing model in rats. The CuSQ SLN were spherical shaped with sizes ranging from 111 to 202 nm and a polydispersity index (PDI) ranging from 0.43 to 0.76, encapsulation efficiency (EE) % between 85 and 88, and zeta potential (ZP) of −11.8 to −40 mV. The formulated hydrogel showed good homogeneity, good stability, and a pH of 6.4 which indicates no skin irritation and had no cytotoxicity on the human skin fibroblast (HSF) cell line. In the in vivo study, animals were placed in five groups: control, standard, plain hydrogel, low dose, and high dose of CuSQ hydrogel. Both doses of CuSQ sho...
Molecules
Four new complexes (Ni2+, Cu2+, Ag+, and Hg2+) were prepared from the ligand N-(4-chlorophenyl)-2... more Four new complexes (Ni2+, Cu2+, Ag+, and Hg2+) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H2L). Analytical and spectroscopic techniques were used to clarify the structural composition of the new chelates. In addition, all chelates were tested against bacterial strains and the HepG2 cell line to determine their antiseptic and carcinogenic properties. The Ni(II) complex was preferable to the other chelates. Molecular optimization revealed that H2L had the highest reactivity, followed by Hg-chelate, Ag-chelate, Ni-chelate, and Cu-chelate. Moreover, molecular docking was investigated against two different proteins: the ribosyltransferase enzyme (code: 3GEY) and the EGFR tyrosine kinase receptor (code: 1m17).
Bioinorganic Chemistry and Applications
A new series of Zr(IV), V(IV), Ru(III), and Cd(II) complexes with the ligand N-((5-hydroxy-4-oxo-... more A new series of Zr(IV), V(IV), Ru(III), and Cd(II) complexes with the ligand N-((5-hydroxy-4-oxo-4H-pyran-3-yl)methylene)-2-(p-tolylamino)acetohydrazide (H2L) have been prepared. FT-IR, 1H-NMR, electronic spectra, powder X-ray, and thermal behavior methods were applied to elucidate the structural composition of new compounds. Geometry optimization for all synthesized compounds was conducted using the Gaussian09 program via the DFT method, to obtain optimal structures and essential parameters. Moreover, the antibacterial and antitumor activity of the ligand and its complexes were studied, where the Cd(II) complex acquires probably the best antibacterial activity followed by the Ru(III) complex towards bacterial species than others when using ampicillin and gentamicin were used as standard drugs. The complexes exhibited interestingly antitumor potential against the MCF-7 breast cancer cell line. The cytotoxicity of the new complexes has been arranged to follow the order: Ru(III) compl...
Egyptian Journal of Chemistry
Applied Organometallic Chemistry, 2021
In this study, five novel complexes for Co(II), Ni(II), VO(II), Cr(III), and La(III) ions were sy... more In this study, five novel complexes for Co(II), Ni(II), VO(II), Cr(III), and La(III) ions were synthesized from a tridentate NNO monobasic chelating Schiff base ligand, (Z)‐2‐((pyridin‐2‐ylimino)methyl)phenol (HL). Spectral and analytical tools were applied to elucidate the structural compositions of the new compounds. Then, geometry optimization was conducted for all the syntheses by the Gaussian 09 program via the density functional theory method to obtain optimal structures and the most essential parameters. Moreover, the biochemical behaviors of all the syntheses were explored based on the reactivity, which was tested against various cancer cell lines (HepG‐2, MCF‐7, and HCT‐116). The complexes exhibited an interestingly antiproliferative potential against human cancer cell lines, and the cytotoxicities of the new complexes were arranged to follow the order: VOL > CrL > NiL > LaL > CoL > HL. The antioxidant behaviors of the complexes were studied using the DPPH assay, and VOL showed the maximum antioxidant activity, followed by LaL. The antibacterial activities of the HL ligand and its complexes were studied. Moreover, the binding nature of the complexes with calf thymus DNA (CT‐DNA) was investigated based on the spectrophotometric absorption titration, viscosity, and gel electrophoresis methods. The binding ability of the complexes with CT‐DNA was proposed to be just intercalation or replacement mode. The intrinsic binding constant Kb was calculated and arranged based on the following order: VOL (5.2 × 105) > CrL (3.6 × 105) > NiL (3.3 × 105) > LaL (3.0 × 105) > CoL (1.12 × 105) mol−1 dm−3. Docking investigations were performed using the receptors of COVID‐19's main protease viral protein (PDB ID: 6LU7) and Escherichia coli (gram [–ve] bacteria [PDB ID: 1fj4]). [ABSTRACT FROM AUTHOR] Copyright of Applied Organometallic Chemistry is the property of John Wiley & Sons, Inc. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Molecules, 2021
New Pb(II), Mn(II), Hg(II), and Zn(II) complexes, derived from 4-(4-chlorophenyl)-1-(2-(phenylami... more New Pb(II), Mn(II), Hg(II), and Zn(II) complexes, derived from 4-(4-chlorophenyl)-1-(2-(phenylamino)acetyl)thiosemicarbazone, were synthesized. The compounds with general formulas, [Pb(H2L)2(OAc)2]ETOH.H2O, [Mn(H2L)(HL)]Cl, [Hg2(H2L)(OH)SO4], and [Zn(H2L)(HL)]Cl, were characterized by physicochemical and theoretical studies. X-ray diffraction studies showed a decrease in the crystalline size of compounds that were exposed to gamma irradiation (γ-irradiation). Thermal studies of the synthesized complexes showed thermal stability of the Mn(II) and Pb(II) complexes after γ-irradiation compared to those before γ–irradiation, while no changes in the Zn(II) and Hg(II) complexes were observed. The optimized geometric structures of the ligand and metal complexes are discussed regarding density functional theory calculations (DFT). The antimicrobial activities of the ligand and metal complexes against several bacterial and fungal stains were screened before and after irradiation. The Hg(II) ...
Molecules, 2021
Despite the common use of salens and hydroxyquinolines as therapeutic and bioactive agents, their... more Despite the common use of salens and hydroxyquinolines as therapeutic and bioactive agents, their metal complexes are still under development. Here, we report the synthesis of novel mixed-ligand metal complexes (MSQ) comprising salen (S), derived from (2,2′-{1,2-ethanediylbis[nitrilo(E) methylylidene]}diphenol, and 8-hydroxyquinoline (Q) with Co(II), Ni(II), Cd(II), Al(III), and La(III). The structures and properties of these MSQ metal complexes were investigated using molar conductivity, melting point, FTIR, 1H NMR, 13C NMR, UV–VIS, mass spectra, and thermal analysis. Quantum calculation, analytical, and experimental measurements seem to suggest the proposed structure of the compounds and its uncommon monobasic tridentate binding mode of salen via phenolic oxygen, azomethine group, and the NH group. The general molecular formula of MSQ metal complexes is [M(S)(Q)(H2O)] for M (II) = Co, Ni, and Cd or [M(S)(Q)(Cl)] and [M(S)(Q)(H2O)]Cl for M(III) = La and Al, respectively. Importantl...
Journal of Molecular Structure, 2021
Abstract A new thiazolidine derivative, 3,3′-ethane-1,2-diylbis(2-benzylidene-1,3-thiazolidin-4-o... more Abstract A new thiazolidine derivative, 3,3′-ethane-1,2-diylbis(2-benzylidene-1,3-thiazolidin-4-one (4) was synthesized and the product obtained was characterized by NMR, IR and mass spectral studies, and the structure was confirmed by single crystal X-ray diffraction studies. The title compound crystallizes in the monoclinic space group P21/n, the unit cell parameters are a = 15.9505(8) A, b = 6.6818(3) A, c = 18.1799(9) A, β = 94.249(2)° and Z = 4 at 150 K. In the title molecule, C20H18N4O2S2, the thiazolidine rings adopt a "pincer" conformation with the phenylimino substituents extending outwards on both sides. A layer structure is formed in the crystal by C—H···N and C—H···O hydrogen bonds. A Hirshfeld surface analysis was used to explore the nature of the intermolecular interactions in the crystal structure employing molecular surface contours and 2D fingerprint plots have been used to examine molecular shapes. The frontier orbital analysis shows that 4 should be more sensitive to a nucleophilic attack than an electrophilic attack. Molecular docking, followed by molecular dynamics simulation and MM-GBSA binding free energy was carried out to predict the binding affinity of 4 for α-amylase enzyme. These analyses revealed good intermolecular stability of the complex with stable high affinity intermolecular complex formation of high equilibrium nature.
Applied Organometallic Chemistry, 2021
Canadian Journal of Chemistry, 2014
The electrochemical behavior of ascorbic acid (AA), dopamine (DA), and uric acid (UA) on a dl-nor... more The electrochemical behavior of ascorbic acid (AA), dopamine (DA), and uric acid (UA) on a dl-norvaline-modified glassy carbon electrode (GCE) was studied by cyclic voltammetry. The bare GCE failed to distinguish the oxidation peaks of AA, DA, and UA in phosphate-buffered solution (pH 5.0), while the dl-norvaline-modified GCE could separate them efficiently. In differential pulse voltammetric (DPV) measurements, the modified electrode resolved the overlapped voltammetric responses of AA, DA, and UA into three well-defined voltammetric peaks. Under optimum conditions, the anodic peak currents of DPV for AA, DA, and UA were proportional to the concentration in the range of 20–400, 1–40, and 15–180 μmol/L, respectively, with a correlation coefficient (r) of around 0.998. The detection limits were 5, 0.3, and 10 μmol/L (S/N = 3) for AA, DA, and UA, respectively. Satisfactory results were achieved for the determination of AA in vitamin C tablets, DA in a dopamine ampoule sample, and UA i...