Selective and sensitive liquid-liquid extraction and spectrophotometric determination of tellurium(IV) using sulfur containing reagent

In Vitro Anticancer Screening, Molecular Docking and Antimicrobial Studies of Triazole-Based Nickel(II) Metal Complexes

“…This methodology is convenient when thinking of quantitative qualities related with Conceptual DFT descriptors [ 89 , 90 ]. The definitions for the global reactivity descriptors are [ 34 , 35 , 36 , 37 , 79 , 80 ]: Electronegativity as χ ≈ 1 ( E L + E H ), Global Hardness as η ≈ ( E L − E H ), Electrophilicity as ω ≈ ( E L + E H ) 2 / 4( E L − E H ), Electrodonating Power as ω − ≈ (3 E H + E L ) 2 / 16 η , Electroaccepting Power as ω + ≈ ( E H + 3 E L ) 2 / 16 η and Net Electrophilicity as ∆ ω ± = ω + − ( −ω − ) = ω + + ω − . These global reactivity descriptors that arise from Conceptual DFT [ 79 , 80 ], has been complemented by a Nucleophilicity Index N [ 81 , 82 , 83 , 84 , 85 ] that takes into account the value of the HOMO energy obtained by means of the KS scheme using an arbitrary shift of the origin with tetracyanoethylene (TCE) as a reference.…”

“…The presence of an electron withdrawing group like -NO 2 on aromatic ring showed improved antimicrobial activity [ 27 , 28 ]. Due to their rich and all around coordination mode, we applied some triazole derivatives for the determination of trace amounts of precious metals like Cu(II), Pd(II), Au(III), toxic metals like Se(IV), Te(V), Bi(III) and Cr(VI) [ 29 , 30 , 31 , 32 , 33 , 34 , 35 ]. There are also some known drugs containing 1,2,4-triazole moiety like Letrozole, Anastrozole [ 36 ], Trazodone [ 37 , 38 ].…”