The 5-(4-aryl azo)-8-hydroxyquinolines (L1-L3) and their metal complexes with Ni 2+ and Zn 2+ have been produced. Various spectroscopic techniques have been employed to analyze the ligand and complexes. The structures of the prepared compounds have been confirmed by Fourier transform infrared (FT-IR), proton nuclear magnetic resonance ( 1 H NMR), molar conductance, magnetic measurements, thermal gravimetric and differential thermal analyses (TG and DTA), and electronic transition. The FT-IR spectra showed that the ligands are coordinated to the metal ions in a bidentate manner with donor sites of the azomethine-N and phenolic-OH. The FT-IR and UV-Visible spectra were compared with the calculated results and showed a good agreement. The mass spectra concluded that the ligands' molecular weights and the calculated estimated m/z values match well. The complexes contain coordinated and hydrated water as confirmed by the TG results. The complexes are tetrahedral, trigonal bipyramid, and octahedral geometrical structures and act as non-
In this work, novel hydrazone ligands were prepared by the reaction of chloroanthranilic acid diazonium salt with acetylacetone (L 1 ), ethyl acetoacetate (L 2 ) and diethyl malonate (L 3 ). The prepared compounds were reacted with some transition metals like Ni(II), Cu(II), and Fe(III). The structures of the prepared complexes were confirmed using nuclear magnetic resonance ( 1 H-NMR and 13 C-NMR), distortionless enhancement by polarization transfer (DEPT), heteronuclear single quantum coherence (HSQC-NMR), correlated spectroscopy (COSY-NMR), Fouriertransform infrared spectroscopy (FT-IR) and electrospray ionization mass spectrometry (ESI-MS). Also, the magnetic properties for the prepared complexes were studied using Gouy's method of susceptibility measurement. Also, there in silico docking and in vitro antibacterial activities were investigated and the results showed that Ni complexes have the highest antimicrobial activity. The expected structures and conformers for the prepared ligands and complexes were examined and fully optimized using the level B3LYP/6-31G*.
Water quality deterioration hinders economic and social development in developing countries that are facing freshwater security and shortages. Based on the collection of 29 water samples, this study focused on the relationship between sewage treatment plant and groundwater system surrounding it using multidisciplinary approach that combines the characterization of groundwater system and its connection with surrounding canal and drains, using chemical and isotopic characterization revealing that there is a direct relation between the surface water system and surrounding groundwater system. About 58% of the groundwater samples and all surface water samples in the investigated area are threatened by high concentrations of trace elements. The multivariate statistical analysis elucidates that anthropogenic effect and fertilizers sewage contamination are the main causes of groundwater pollution. Nearly, 31% and 11.5% of groundwater samples were posing oral chronic non-carcinogenic health risk and dermal chronic risk for adult, respectively, while all surface water samples were posing oral chronic non-carcinogenic health risk, with no dermal hazard. The uncharged species of Fe and Al are expected to be more mobile in groundwater because they would not be attracted to the surface charge of minerals. Inorganic ligands (HCO3−, SO42−, Cl−, and NO3−) act as nucleation centers that were linked with those trace elements creating new species with higher solubility degree in water that are transported away randomly for long distances in the water path.
Water quality deterioration hinders economic and social development in developing countries that are facing freshwater security and shortages. This study based on the collection of 29 water samples and focused on the relationship between sewage treatment plant and groundwater system surrounding it using multidisciplinary approach that combines the characterization of groundwater system and its connection with surrounding canal and drains; using chemical and isotopic characterization revealing that there is a direct relation between the surface water system and surrounding groundwater system. About 58% of the groundwater samples and all surface water samples in the investigated area are threatened by high concentrations of trace elements. The multivariate statistical analysis elucidates that anthropogenic effect, fertilizers sewage contamination are the main causes of groundwater pollution. Nearly; 31% and 11.5% of groundwater samples posing oral chronic non carcinogenic health risk and dermal chronic risk for adult, respectively. While all surface water samples were posing oral chronic non carcinogenic health risk, with no dermal hazard. Visual MINTAQ geochemical modeling program was used for determining the groundwater aqueous species distribution to indicate their effect on the distribution of trace element in groundwater, revealing that Ba, Mn, Zn, and Sr existed as free radical ion in the hazardous samples; revealing that those elements would be available for further sorption process and can be mitigated through sorption processes. The uncharged species of Fe and Al are expected to be more mobile in groundwater because they would not be attracted to the surface charge of minerals. Inorganic ligands (HCO3−, SO42−, Cl−, and NO3−) act as nucleation centers that were linked with those trace elements creating new species with higher solubility degree in water that are transported away randomly for long distances in the water path.
In this study, a hydrazone ligand complexes based on p-anisidine and acetylacetone derivatives with transition metals like Ni, Cu, Fe, and Zr were prepared. The structure of the prepared compounds was confirmed using Nuclear magnetic resonance (1 H-NMR and 13 C-NMR), Distortionless enhancement by polarization transfer (DEPT), heteronuclear single quantum coherence (HSQC-NMR), Correlated Spectroscopy (COSY-NMR), Fourier-transform infrared spectroscopy (FT-IR) and Electrospray ionization mass spectrometry (ESI-MS). The x-ray single crystal of the ligand was studied and the results showed that an intramolecular N-H. .. .O = C hydrogen bond (1.87Å) exists that stabilizes the geometrical structure of the ligand. Also, the magnetic properties for the prepared complexes were studied using Gouy's method of susceptibility measurement. In addition, there in silico docking and In vitro antibacterial activities were investigated and the results showed that Fe complex has the highest antimicrobial activity. The expected structures and conformers for the prepared ligands and complexes were examined and fully optimized using the level B3LYP/6-31G*.
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