Sulfathiazole (SFTZ) is an antibacterial drug that contains the organosulfur compounds. It is used as a short-acting sulfa drug. The metal complexes of sulfa-drug have gained considerable importance due to their pronounced biological activity. The sulfa-drugs have received great attention because of their therapeutic applications against bacterial infections. Mn(II) complex of sulfathiazole was synthesized by the reaction of sulfathiazole with MnCl2.4H2O. The Mn (II) complex was characterized based on UV, IR, 1H NMR Spectroscopy and x-ray powder diffraction. The electronic spectrum of the ligand showed intra charge transfer which was assigned to the chromophores present in the ligand, while that of the complex suggested intra ligand charge transfer (ILCT) and ligand to metal charge transfer (LMCT). In the IR spectrum of sulfathiazole, the N-H stretch of SO2NH appeared at 3255.23 cm-1. In the IR spectrum of the metal complex, this band was absent. This suggested the deprotonation of the N-H of SO2NH during the complexation reaction. This showed that sulfathiazole acted as a monodentate ligand. 1H NMR spectrum of [Mn(SFTZ)] complex showed the involvement of the nitrogen atom of SO2NH. The crystal structure of [Mn(SFTZ)] complex belongs to monoclinic system, space group P1, with cell parameters of a= 4.519Å, b = 8.704Å, c = 12.608Å, V = 493.5Å3, β = 95.69º. Molecular docking suggested that the ligand/complex bonded effectively with the E.coli and S.aureus because their global binding energies were negative. The binding interactions of ligand/complex with E. coli and S. aureus were predicted. Molecular docking predicted the feasibility of the biochemical reactions before experimental investigation. It was concluded that sulfathiazole behaved as a monodentate ligand towards Mn (II) ion. The binding energy and interaction of [Mn(SFTZ)] with E.coli and S. aureus have also shown that inhibition of the bacterial species is feasible. The mechanism of action of [Mn(SFTZ)] with E. coli and S. aureus is now well understood.
Biopolymers
and alkali-activated materials have attracted a great
deal of attention as adsorbents for the removal of heavy metal contaminants
from aqueous solutions. Both materials are sustainable and feature
unique properties, but biopolymers are relatively more expensive or
difficult to prepare and exhibit low mechanical and surface properties,
a narrow pH range, and thermal stability. In this study, hybrid adsorbents
were prepared from both types of material, by alkali activation of
low-cost fly ash precursors accompanied by incorporation of 0–2%mass chitosan biopolymer. Two types of alkaline activating
solutions, NaOH and Na2SiO3, were employed to
generate two sets of hybrid adsorbents with varying chitosan contents.
The effect of the chitosan dosage on the aqueous Pb(II) and Zn(II)
sorption efficiency was also investigated. The adsorbents exhibited
98–100% removal efficiencies for both metals, but the sorption
of Zn(II) was generally higher than that of Pb(II). The addition of
0.1–2.0%mass chitosan resulted in very little improvement
in the overall efficiency of the adsorbents. In contrast, 0.05%mass chitosan led to a decrease in the sorption efficiency;
this was linked to the decrease in the adsorbents’ ζ
potential. The Na2SiO3-activated materials featured
larger BET surface areas and better overall sorption performance,
while the NaOH-activated materials showed the worst Pb(II) sorption
performance and hence more noticeable improvement upon addition of
chitosan. Mechanistic investigation shows that the sorption process
follows second-order kinetics and is a chemisorption-driven process.
The COVID-19 pandemic, caused by the SARS-CoV-2, has prompted international concern. The aim of this study is to identify SARS-CoV-2 nonstructural protein inhibitors-potentially bioactive phytocompounds from the traditional plant Psidium guajava. GC-MS analysis of P. guajava methanol leaves was investigated. In silico molecular docking, drug-likeness, toxicity, and prediction of the compounds’ substance activity spectra (PASS) were evaluated. GC-MS analysis identified thirty (30) phytocompounds. According to molecular docking, all the phytocompounds have strong binding energies. The phytocompound beta bisabolene gave the best binding affinity of -5.0 kcal/mole. The detected compounds were all in accordance with Lipinski’s Rule of Five (RO5). This showed that the identified P. guajava compounds would have lower attrition rates during clinical trials and thus have a better chance of being marketed. According to this research, a potential COVID-19 drug could be created using the newly identifiedphytocompounds of P. guajava.
The in hibitory efficiencies of methanolic leaf extract of Irvingia gabonensis and the role of a halide ion as an enhancement on the inhibition of aluminium corrosion in HCl medium were studied at varying acid concentrations of 0.01M , 0.05M, 0.1M und er the influence of 3% NaCl. Result of the studies carried out by weight loss techni que showed that I. gabonensis is highly an efficient inhibitor for the corrosion of al umimium in HCl acid environment and its inhibitory efficiencies increases with respect to the time of exposure.. It was observed from the study that in the absence o f the plant extracts, the weight loss increases rapidly indicating an increase in corrosi on rate from 0.003g to 0.026g as acid concentration was increased from 0.01M to 0.1M . Conversely, when the plant extract was introduced, there were remarkable decrease in weight loss from 0.001g at 0.01M of HCl to 0.021g at 0.1M , showing a decrea se in corrosion of the metal. Experimental data proved that the highest corrosion rates w ere observed at the highest acid strength pointing that at a concentration of 0.1M H Cl, 19% efficiency was attained and a maximum efficiency of 67% was obtained at 0.01MHCl showing a correlation between concentration and inhibition of metal. It was also revealed that the inhibitory efficiency of I. gabonensis in HCl medium was magnif icently increased when a salt of halide ion was introduced showing a weight loss of 0.01g through 0.003g as acid strength increased from 0.01M to 0.1M. This could be attributed to that the fact that halide ion facilitates the adsorption of organic cat ions during metal corrosion by forming intermediate bridges between the metal surface and the positive end of the organic inhibitor and this forms a protective hydrophi lic film on the metal surface which provided a barrier to the dissolution of the metal into the acid medium.
Aims: Chloroquine is a member of the drug class 4-aminoquinoline used for the prevention and treatment of malaria in areas where malaria is known to be sensitive to its effects.
Our aim is to synthesize the chloroquine – titanium complex and to study its coordination behavior.
Place and Duration of Study: Department of Chemistry, Michael Okpara University of Agriculture, Umudike, 2019.
Methodology: Ti(II) complex of chloroquine was synthesized by the reaction of chloroquine phosphate with titanium(IV) oxide. The metal complex was characterized based on UV, IR and 1H NMR Spectroscopy.
Results: The UV spectrum of the complex suggested intra ligand charge transfer (ILCT), ligand to metal charge transfer (LMCT), and d-d transition. The IR spectrum of the complex showed the involvement of amine and imine group in coordination to Ti. This showed that chloroquine acted as a bidentate ligand. 1H NMR of the spectrum further showed the involvement of the amine group in coordination.
Conclusion: The ability of chloroquine to sequestrate Ti (II) ion has been assured. This drug can be used to chelate Ti ions from solution, environment, and biological system.
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