Abstract
Purpose Paper aims to preparation of new acid disperse dyes based on thiadiazol derivatives and evaluation of their use as antimicrobial colorants in digital transfer-printing ink formulations for printing onto polyester fabric substrates. Design/methodology/approach New disperse dyes based on 1,3,4 - thiadiazol derivative (dyes 1-3) were prepared and evaluated by different analysis then formulated as colored materials in the ink formulations. The viscosity, dynamic surface tension and particle size distribution of the prepared inks were measured. The printed polyester fabric substrates were tested using a variety of tests, including light fastness, washing, alkali perspiration and Crock fastness, as well as depth of penetration. Density-functional theory (DFT) calculations were carried out at the Becke3-Lee-Yang-parr (B3LYP) level using the 6-311** basis set, and the biological activity of the prepared disperse dyes was investigated. Findings The obtained results of the physical of the prepared ink revealed that thiadiazol disperse ink is a promising ink formulation for polyester printing and agrees with the quality of the printed polyester fabric. The optimization geometry for molecular structures agreed with the analysis of these compounds. The HOMO/LUMO and energy gap of the studied system were discussed. The molecular docking analysis showed strong interaction with DNA Gyrase and demonstrated to us the high ability of these inks to act as antimicrobial agents. Practical implications The prepared inks containing the prepared thiadiazol disperse dye were high-performance and suitable for this type of printing technique, according to the results. The prepared inks resist the growth of microorganisms and thus increase the ink's storage stability. Originality/value The prepared disperse dyes based on 1,3,4 - thiadiazol derivative (dyes 1-3) can be a promising colorant in different applications, like some types of paint formulations and as a colorant in printing of different fabric substrates.