An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The objective of this study is to discuss the inhibitive behaviour of two inorganic corrosion inh... more The objective of this study is to discuss the inhibitive behaviour of two inorganic corrosion inhibitors namely sodium nitrite, an anodic inhibitor and zinc oxide, a cathodic inhibitor on steel embedded in concrete containing quarry dust as fine aggregate. Each inhibitor was evaluated for various strength properties such as compressive strength, split tensile strength, flexural strength and bond strength in addition to water absorption capacity. The performance of the inhibitors on corrosion resistance was studied using impressed voltage method, rapid chloride ion penetration test, AC impedance measurement and weight loss measurement. The surface analysis of the embedded steel was carried out by scanning electron microscope analysis. Based on the results of strength and durability tests the optimum percentage of inhibitors to be added in quarry dust concrete was determined. The experimental results demonstrate that addition of inhibitors enhances the corrosion resistance properties and does not have any adverse effects on strength properties.
In this study, various substituted chalcones, prepared by condensing substituted acetophenones wi... more In this study, various substituted chalcones, prepared by condensing substituted acetophenones with substituted aldehydes/arylfurfurals, were treated with thiosemicarbazide in basic media to produce 1-thiocarbonyl-3,5-disubstituted pyrazolines which on further reaction with substituted phenacyl bromides afforded the title compounds in good yield. Structures of the newly synthesized compounds were assigned on the basis of elemental analyses, IR, 1 H NMR, and mass spectral studies. The newly synthesized compounds were tested for their in vitro antibacterial and antifungal activities against a variety of microorganisms and antioxidant activities by diphenylpicrylhydrazyl radical scavenging assay. Among the derivatives, compounds 3b, 3e, 6a, and 6h were identified as potent antioxidants. Compounds 3d, 3e, and 6a-f have emerged as the most promising antimicrobial agents displaying the maximum activity against all the tested microorganisms.
The crystal structure of (tert-butyl isocyanide-C)trichloridogallium(III), [GaCl 3 (C 5 H 9 N)], ... more The crystal structure of (tert-butyl isocyanide-C)trichloridogallium(III), [GaCl 3 (C 5 H 9 N)], features the first reported isocyanide-gallium trihalide complex. The Ga-C-N-C fragment is essentially linear. The methyl fragments of the tert-butyl group are eclipsed with the chloride ligands on the Ga atom. The molecule does not, however, exhibit threefold crystallographic symmetry, as it crystallizes within the P2 1 /c space group. Structure description The Ga-C-N-C fragment deviates only slightly from linearity with N1-C1-Ga1 and C1-N1-C2 angles of 179.26 (16) and 179.35 (18) , respectively (Fig. 1). The angle between the Cl1-Ga1-C1 and N1-C2-C3 planes of 1.5 (2) indicates a nearly perfect eclipsed conformation between the-C(CH 3) 3 and-GaCl 3 groups. In the crystal, there are no notable interactions between neighbouring molecules (Fig. 2). The synthesis of trialkylgallium-isocyanide complexes was reported by Kingsley et al. (2012). For adducts of isocyanides with other main group elements, see:
A series of tosyl carbamates have been synthesized and screened for their antibacterial and antif... more A series of tosyl carbamates have been synthesized and screened for their antibacterial and antifungal activities. All the synthesized compounds were characterized by spectral techniques (IR, 1 H, 13 C NMR and mass) and elemental analysis. in silico Molecular docking method was performed to study their antimicrobial activity against the target protein 1T9U. Compound 27 showed good antibacterial activity against Gram-positive and Gram-negative bacterial strains and compound 19 showed good antifungal activity. Molecular docking results revealed that the compound 19 exhibits minimum CDOCKER energy. Tosyl carbamate derivatives having good antimicrobial activities compared to that standard and all the synthesized compounds exhibits moderate CDOCKER scores.
Deregulation of various protein kinases is considered as one of the important factors resulting i... more Deregulation of various protein kinases is considered as one of the important factors resulting in cancer development and metastasis, thus multi-targeting the kinase family is one of the most important strategies in current cancer therapy. This context represents the design and synthesis of two sets of derivatives bearing a pyrazoline-3-one ring conjugated either with a thieno[3,2-d]thiazole or with a dihydrothiazolo[4,5-d]thiazole scaffold via an NH linker, 3a-d and 5a-d respectively, using the pyrazolinone-thiazolinone derivative 1 as a key precursor. All the newly synthesized compounds were assessed in vitro for their anticancer activity against two cancer cell lines (MCF-7 and HepG-2). The safety profile of the most active cytotoxic candidates 1 and 3c was further examined against the normal cell line WI-38. The compounds 1 and 3c were further evaluated as multi-targeting kinase inhibitors against EGFR, VEGFR-2 and BRAF V600E , exhibiting promising suppression impact. Additionally, the latter compounds were investigated for their impact on cell cycle and apoptosis induction potential in the MCF-7 cell line. Moreover, the antimicrobial activity of all the new analogues was evaluated against a panel of Gram-positive and Gram-negative bacteria, yeast and fungi in comparison to streptomycin and amphotericin-B as reference drugs. Interestingly, both 1 and 3c showed the most promising microbial inhibitory effect. Molecular docking studies showed promising binding patterns of the compounds 1 and 3c with the prospective targets, EGFR, VEGFR-2 and BRAF V600E. Finally, additional toxicity studies were performed for the new derivatives which showed their good drug-like properties and low toxicity risks in humans.
In this work, palladium nanoparticles, supported by polyaminals (Pd@PAN-NA), were synthesized via... more In this work, palladium nanoparticles, supported by polyaminals (Pd@PAN-NA), were synthesized via a reverse double solvent approach and used as a nano catalyst. The thermogravimetric and the elemental analysis revealed that the catalyst had good dispersity and improved thermal stability. The catalytic activity of the prepared Pd@PAN-NA catalyst was studied for a methylene blue chemical reaction in the presence of NaBH4 as a reducing agent. The effect of the catalyst dose, pH, and dye initial concentration were examined to optimize the chemical reduction conditions. The prepared catalyst Pd@PAN-NA removed 99.8% of methylene blue organic dye, indicating its potential effect for treating waste and contaminated water.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
A series of tosyl carbamates have been synthesized and screened for their antibacterial and antif... more A series of tosyl carbamates have been synthesized and screened for their antibacterial and antifungal activities. All the synthesized compounds were characterized by spectral techniques (IR, 1H, 13C NMR and mass) and elemental analysis. in silico Molecular docking method was performed to study their antimicrobial activity against the target protein 1T9U. Compound 27 showed good antibacterial activity against Gram-positive and Gram-negative bacterial strains and compound 19 showed good antifungal activity. Molecular docking results revealed that the compound 19 exhibits minimum CDOCKER energy. Tosyl carbamate derivatives having good antimicrobial activities compared to that standard and all the synthesized compounds exhibits moderate CDOCKER scores.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Preparation of ZnO (Z) and ZnO/Zn(OH) 2 (Z/ZH) specimens was carried out practicing a hydrotherma... more Preparation of ZnO (Z) and ZnO/Zn(OH) 2 (Z/ZH) specimens was carried out practicing a hydrothermal method. Z/ZH specimens were furnished by distinctive mass% of silver (1.0, 3.0, and 5.0 mass%) utilizing photoassisted deposition regime and the attained decorated specimens were designated as (Ag1-Z/ZH, Ag3-Z/ZH, and Ag5-Z/ZH, respectively). Band-gap energy of Z makes it absorb in ultraviolet region whiles, Z/ZH and Ag-Z/ZH specimens possess band gaps that permit them to absorb in visible region. Modifying of Z/ZH specimens by Ag diminishes band-gap magnitude from 3.30 to 2.82 eV and, at the same time, reduces the speed by which electrons and holes may recombine. The photocatalytic actions of Z, Z/ZH, and Ag-Z/ZH were figured out beneath Vis light via nitrobenzene-aniline transformation. The complete and successful transformation could be achieved utilizing Ag3-Z/ZH photocatalyst with the charging of 1.2 g/l photocatalyst after 0.5 h from the beginning of the photocatalytic reaction. In addition, it was found that Ag3-Z/ZH photocatalyst could be reused five times conserving its stability.
The response to the high demand for decreasing the amount of CO2 in the atmosphere, a new polyami... more The response to the high demand for decreasing the amount of CO2 in the atmosphere, a new polyaminal-based polymer network was designed and successfully prepared through one-pot polycondensation reaction of melamine and [2,2′-Bipyridine]-5,5′-dicarbaldehyde. The formation of the polymer structure was confirmed by FT-IR, solid-state 13C NMR, and powder-X-ray diffraction. The porous properties of the polymeric structure were confirmed by field-emission scanning electron microscope and N2 adsorption–desorption methods at 77 K. The prepared polymer can take up 1.02 mmol/g and 0.71 mmol/g CO2 at 273 K and 298 K, respectively, despite its relatively modest Brunauer–Emmett–Teller (BET) surface area (160.7 m2/g), due to the existence of superabundant polar groups on the pore surfaces.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The objective of this study is to discuss the inhibitive behaviour of two inorganic corrosion inh... more The objective of this study is to discuss the inhibitive behaviour of two inorganic corrosion inhibitors namely sodium nitrite, an anodic inhibitor and zinc oxide, a cathodic inhibitor on steel embedded in concrete containing quarry dust as fine aggregate. Each inhibitor was evaluated for various strength properties such as compressive strength, split tensile strength, flexural strength and bond strength in addition to water absorption capacity. The performance of the inhibitors on corrosion resistance was studied using impressed voltage method, rapid chloride ion penetration test, AC impedance measurement and weight loss measurement. The surface analysis of the embedded steel was carried out by scanning electron microscope analysis. Based on the results of strength and durability tests the optimum percentage of inhibitors to be added in quarry dust concrete was determined. The experimental results demonstrate that addition of inhibitors enhances the corrosion resistance properties and does not have any adverse effects on strength properties.
In this study, various substituted chalcones, prepared by condensing substituted acetophenones wi... more In this study, various substituted chalcones, prepared by condensing substituted acetophenones with substituted aldehydes/arylfurfurals, were treated with thiosemicarbazide in basic media to produce 1-thiocarbonyl-3,5-disubstituted pyrazolines which on further reaction with substituted phenacyl bromides afforded the title compounds in good yield. Structures of the newly synthesized compounds were assigned on the basis of elemental analyses, IR, 1 H NMR, and mass spectral studies. The newly synthesized compounds were tested for their in vitro antibacterial and antifungal activities against a variety of microorganisms and antioxidant activities by diphenylpicrylhydrazyl radical scavenging assay. Among the derivatives, compounds 3b, 3e, 6a, and 6h were identified as potent antioxidants. Compounds 3d, 3e, and 6a-f have emerged as the most promising antimicrobial agents displaying the maximum activity against all the tested microorganisms.
The crystal structure of (tert-butyl isocyanide-C)trichloridogallium(III), [GaCl 3 (C 5 H 9 N)], ... more The crystal structure of (tert-butyl isocyanide-C)trichloridogallium(III), [GaCl 3 (C 5 H 9 N)], features the first reported isocyanide-gallium trihalide complex. The Ga-C-N-C fragment is essentially linear. The methyl fragments of the tert-butyl group are eclipsed with the chloride ligands on the Ga atom. The molecule does not, however, exhibit threefold crystallographic symmetry, as it crystallizes within the P2 1 /c space group. Structure description The Ga-C-N-C fragment deviates only slightly from linearity with N1-C1-Ga1 and C1-N1-C2 angles of 179.26 (16) and 179.35 (18) , respectively (Fig. 1). The angle between the Cl1-Ga1-C1 and N1-C2-C3 planes of 1.5 (2) indicates a nearly perfect eclipsed conformation between the-C(CH 3) 3 and-GaCl 3 groups. In the crystal, there are no notable interactions between neighbouring molecules (Fig. 2). The synthesis of trialkylgallium-isocyanide complexes was reported by Kingsley et al. (2012). For adducts of isocyanides with other main group elements, see:
A series of tosyl carbamates have been synthesized and screened for their antibacterial and antif... more A series of tosyl carbamates have been synthesized and screened for their antibacterial and antifungal activities. All the synthesized compounds were characterized by spectral techniques (IR, 1 H, 13 C NMR and mass) and elemental analysis. in silico Molecular docking method was performed to study their antimicrobial activity against the target protein 1T9U. Compound 27 showed good antibacterial activity against Gram-positive and Gram-negative bacterial strains and compound 19 showed good antifungal activity. Molecular docking results revealed that the compound 19 exhibits minimum CDOCKER energy. Tosyl carbamate derivatives having good antimicrobial activities compared to that standard and all the synthesized compounds exhibits moderate CDOCKER scores.
Deregulation of various protein kinases is considered as one of the important factors resulting i... more Deregulation of various protein kinases is considered as one of the important factors resulting in cancer development and metastasis, thus multi-targeting the kinase family is one of the most important strategies in current cancer therapy. This context represents the design and synthesis of two sets of derivatives bearing a pyrazoline-3-one ring conjugated either with a thieno[3,2-d]thiazole or with a dihydrothiazolo[4,5-d]thiazole scaffold via an NH linker, 3a-d and 5a-d respectively, using the pyrazolinone-thiazolinone derivative 1 as a key precursor. All the newly synthesized compounds were assessed in vitro for their anticancer activity against two cancer cell lines (MCF-7 and HepG-2). The safety profile of the most active cytotoxic candidates 1 and 3c was further examined against the normal cell line WI-38. The compounds 1 and 3c were further evaluated as multi-targeting kinase inhibitors against EGFR, VEGFR-2 and BRAF V600E , exhibiting promising suppression impact. Additionally, the latter compounds were investigated for their impact on cell cycle and apoptosis induction potential in the MCF-7 cell line. Moreover, the antimicrobial activity of all the new analogues was evaluated against a panel of Gram-positive and Gram-negative bacteria, yeast and fungi in comparison to streptomycin and amphotericin-B as reference drugs. Interestingly, both 1 and 3c showed the most promising microbial inhibitory effect. Molecular docking studies showed promising binding patterns of the compounds 1 and 3c with the prospective targets, EGFR, VEGFR-2 and BRAF V600E. Finally, additional toxicity studies were performed for the new derivatives which showed their good drug-like properties and low toxicity risks in humans.
In this work, palladium nanoparticles, supported by polyaminals (Pd@PAN-NA), were synthesized via... more In this work, palladium nanoparticles, supported by polyaminals (Pd@PAN-NA), were synthesized via a reverse double solvent approach and used as a nano catalyst. The thermogravimetric and the elemental analysis revealed that the catalyst had good dispersity and improved thermal stability. The catalytic activity of the prepared Pd@PAN-NA catalyst was studied for a methylene blue chemical reaction in the presence of NaBH4 as a reducing agent. The effect of the catalyst dose, pH, and dye initial concentration were examined to optimize the chemical reduction conditions. The prepared catalyst Pd@PAN-NA removed 99.8% of methylene blue organic dye, indicating its potential effect for treating waste and contaminated water.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
A series of tosyl carbamates have been synthesized and screened for their antibacterial and antif... more A series of tosyl carbamates have been synthesized and screened for their antibacterial and antifungal activities. All the synthesized compounds were characterized by spectral techniques (IR, 1H, 13C NMR and mass) and elemental analysis. in silico Molecular docking method was performed to study their antimicrobial activity against the target protein 1T9U. Compound 27 showed good antibacterial activity against Gram-positive and Gram-negative bacterial strains and compound 19 showed good antifungal activity. Molecular docking results revealed that the compound 19 exhibits minimum CDOCKER energy. Tosyl carbamate derivatives having good antimicrobial activities compared to that standard and all the synthesized compounds exhibits moderate CDOCKER scores.
An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Preparation of ZnO (Z) and ZnO/Zn(OH) 2 (Z/ZH) specimens was carried out practicing a hydrotherma... more Preparation of ZnO (Z) and ZnO/Zn(OH) 2 (Z/ZH) specimens was carried out practicing a hydrothermal method. Z/ZH specimens were furnished by distinctive mass% of silver (1.0, 3.0, and 5.0 mass%) utilizing photoassisted deposition regime and the attained decorated specimens were designated as (Ag1-Z/ZH, Ag3-Z/ZH, and Ag5-Z/ZH, respectively). Band-gap energy of Z makes it absorb in ultraviolet region whiles, Z/ZH and Ag-Z/ZH specimens possess band gaps that permit them to absorb in visible region. Modifying of Z/ZH specimens by Ag diminishes band-gap magnitude from 3.30 to 2.82 eV and, at the same time, reduces the speed by which electrons and holes may recombine. The photocatalytic actions of Z, Z/ZH, and Ag-Z/ZH were figured out beneath Vis light via nitrobenzene-aniline transformation. The complete and successful transformation could be achieved utilizing Ag3-Z/ZH photocatalyst with the charging of 1.2 g/l photocatalyst after 0.5 h from the beginning of the photocatalytic reaction. In addition, it was found that Ag3-Z/ZH photocatalyst could be reused five times conserving its stability.
The response to the high demand for decreasing the amount of CO2 in the atmosphere, a new polyami... more The response to the high demand for decreasing the amount of CO2 in the atmosphere, a new polyaminal-based polymer network was designed and successfully prepared through one-pot polycondensation reaction of melamine and [2,2′-Bipyridine]-5,5′-dicarbaldehyde. The formation of the polymer structure was confirmed by FT-IR, solid-state 13C NMR, and powder-X-ray diffraction. The porous properties of the polymeric structure were confirmed by field-emission scanning electron microscope and N2 adsorption–desorption methods at 77 K. The prepared polymer can take up 1.02 mmol/g and 0.71 mmol/g CO2 at 273 K and 298 K, respectively, despite its relatively modest Brunauer–Emmett–Teller (BET) surface area (160.7 m2/g), due to the existence of superabundant polar groups on the pore surfaces.
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