Chemical Science Open Access Journals-Lupine Publishers

Experimental Approach, Computational DFT Investigation and a Biological Activity in the Study of an Organic Heterocyclic Compound by Tribak Z in Archives of Organic and Inorganic Chemical Sciences in Lupine Publishers

The title compound TZ1 was synthesized by N-alkylation reaction, and its structure was confirmed by 1H NMR, 13C NMR and IR, it was screened for their in vitro antibacterial activity by the agar well diffusion method against four bacteria, Gram-positive (Bacillus cereus, Staphylococcus aureus) and Gram-negative (Escherichia coli, Pseudomonas aeruginosa). The molecule was studied with the density functional theory (DFT) at B3LYP/6–31G (d,p) level in order to determine the relationship between the molecular structure and the antibacterial inhibition behavior. The molecular geometry, frontier molecular orbitals and Mulliken atomic charge of the compound are investigated to get a better insight of the molecular properties. The molecular electrostatic potential (MEP) for a compound was determined to check their electrophilic or nucleophilic reactivity. The theoretical parameters offer significant assistance to understand the antibacterial inhibition mechanism indicated by the molecule and are in full agreement with the experimental results.

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Emerging Trends in Coordination Polymers and Metal-Organic Frameworks: Perspectives, Synthesis, Properties and Applications: (AOICS) - Lupine Publishers

Emerging Trends in Coordination Polymers and Metal-Organic Frameworks: Perspectives, Synthesis, Properties and Applications by Nworie Felix Sunday in Archive of organic and inorganic chemical sciences(AOICS) in Lupine Publishers

Coordination polymers including metal-organic frameworks, clathrates and cyanometallates have recently gained significance as an important class of solid state materials. In this critical review, the diversity, classification, synthesis, structure, properties, applications, geometrical and chemical factors that influence their formation have been carefully presented. The synthesis of these new classes of compounds from molecular building blocks and demonstration oftheir high surface area, adsorptive and trapping potentials of molecules, selectivity in separation and uptake of molecules, tunable and modifiable molecular structure, and photoluminescence, magnetic and antimicrobial responses holds the potential for innumerable applications based on these tailored properties.

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