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- W2912379473 abstract "ABSTRACTThe emergence of multi-drug resistant pathogens in infectious disease conditions accentuates the need for the design of new classes of antimicrobial agents that could defeat the multidrug resistance problems. As a new class of molecules, the Heterocyclic Schiff base is of considerable interest, owing to their preparative accessibility, structural flexibilities, versatile metal chelating properties, and inherent biological activities. In the present study, CAM-B3LYP/LANL2DZ and M062X/DEF2-TZVP level of density functional method is used to explore the complexation of chalcone based Schiff base derivatives by Co2+, Ni2+, Cu2+, and Zn2+ metal ions. The HL(1-3)-Co2+, HL(1-3)-Ni2+ and HL(1-3)-Zn2+ complexes formed the distorted tetrahedral geometry. Whereas, the HL(1-3)-Cu2+ complexes prefers distorted square-planar geometry. The BSSE corrected interaction energies of the studied complexes reveals that Cu2+ ion forms the most stable complexes with all three chalcone based Schiff bases. Of the three Schi..." @default.
- W2912379473 created "2019-02-21" @default.
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- W2912379473 date "2019-02-01" @default.
- W2912379473 modified "2023-09-26" @default.
- W2912379473 title "Theoretical insights into the metal chelating and antimicrobial properties of the chalcone based Schiff bases" @default.
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- W2912379473 doi "https://doi.org/10.1080/08927022.2019.1573370" @default.
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