A dsorption properties study thiazole att ached (۶,۰) zigzag single-wall ed boron ph osphide n anotube

The thiazole ring and its de rivatives present in the structure of many bi ologically active comp ounds such as thiamin e, penicillin G, amphetamine drug s, vitamin B۱ servesas an electr on sink, and used an a nalytical reagent in analysis of heavy transition metals such as cadmium, lead, co pper, and gold [۱], as an active centre. Also, its coenzyme form is important for decarboxylatio n of Į-ketoacids [۲]. These heteroc yclic compounds have been shown anti-inflam mation [۳], anti-hypertension [۴], antibacterial [۵], and anti-HIV [۶] effects. The objective of the present work was to study thiaz ole adsorption on BPN T surfaces as a functional group in gas phase and thereby to establish a deeper un derstanding of the role of the BPNT in adsorpti on of thiazo le on the BPNT surfaces.

کلیدواژه ها:

Boron phosphide nanotube ، Adsorption ، Thiazole ، DFT