DFT Study for Selective Adsorption of 1,3-Dimethyltrisulfane Responsible for Aged Odor in Japanese Sake Using Supported Gold Nanoparticles

Au nanoclusters (Au NCs) supported on SiO2 effectively adsorbed 1, 3-dimethyltrisulfane (DMTS), which is responsible for the aged odor of Japanese sake. Smaller-size Au NCs exhibited higher adsorption amount of DMTS than those of larger Au NCs. In order to investigate theoretically the selective adsorption of DMTS, density functional theory calculations were carried out for different sizes of Au NCs. These calculations showed that Au NCs decompose and adsorb DMTS selectively on the Au NC surface.