In this work, the cross-linked chitosan composite modified with zinc-doped hydroxyapatite
was synthesized and grown in its polymer matrix. The final composite material was tested for …

The removal of methylene blue (MB) as a cationic dye from an aqueous medium, by
adsorption on Bombax buonopozense bark (BBb), was achieved using a complete two-level …

A novel soft-chemical synthesis method was used to synthesis nanostructured α-Bi 2 O 3.
The method uses chitosan (Cs) and sodium alginate (Alg) as directing agents, representing …

Predicting chemical reactivity is a major goal of chemistry. Toward this end, atom condensed
Fukui functions of conceptual density functional theory have been used to predict which …

Theoretical scales of reactivity and selectivity are important tools to explain and to predict
reactivity patterns, including reaction mechanisms. The main achievement of these efforts …

Electrophilic substitution reactions of sumanene were studied. Mono-, di-, and trisubstituted
sumanenes were selectively prepared with the separation of all regioisomers. The …

Halobenzoquinones (HBQs), a metabolism of pentachlorophenol, arouse increasing
concern for their high toxicity. This paper systematically studied the influences of 31 …

A new condensed form of the Fukui function, the natural orbital Fukui function (NOFF), is
proposed and derived from natural bond orbital occupancy. It is defined as the change in …

The Fukui function is often used in its atom‐condensed form by isolating it from the
molecular Fukui function using a chosen weight function for the atom in the molecule …

The cysteine protease cruzipain is considered to be a validated target for therapeutic
intervention in the treatment of Chagas disease. Hence, peptidomimetic cruzipain inhibitors …