DFT study for selective adsorption of 1,3-dimethyltrisulfane responsible for aged odor in Japanese sake using supported gold nanoparticles

Ayaka Sonoura; Akihide Hayashi; Yoshinori Ato; Hiroaki Koga; Haruno Murayama; Makoto Tokunaga; Mitsutaka Okumura

doi:10.1246/cl.190868

DFT study for selective adsorption of 1,3-dimethyltrisulfane responsible for aged odor in Japanese sake using supported gold nanoparticles

Ayaka Sonoura, Akihide Hayashi, Yoshinori Ato, Hiroaki Koga, Haruno Murayama, Makoto Tokunaga, Mitsutaka Okumura

Multidisciplinary chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	218-221
Number of pages	4
Journal	Chemistry Letters
Volume	49
Issue number	3
DOIs	https://doi.org/10.1246/cl.190868
Publication status	Published - 2020

All Science Journal Classification (ASJC) codes

Chemistry(all)

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10.1246/cl.190868

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title = "DFT study for selective adsorption of 1,3-dimethyltrisulfane responsible for aged odor in Japanese sake using supported gold nanoparticles",

abstract = "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.",

author = "Ayaka Sonoura and Akihide Hayashi and Yoshinori Ato and Hiroaki Koga and Haruno Murayama and Makoto Tokunaga and Mitsutaka Okumura",

note = "Funding Information: This study was supported by a Grant-in-Aid for Scientific Research (c) (No. 17K05752), ALCA, and Elements Strategy Initiative for Catalysts and Batteries (ESICB) of the Ministry of Education, Culture, Sports, Science and Technology, Japan (MEXT). Publisher Copyright: {\textcopyright} 2020 The Chemical Society of Japan",

year = "2020",

doi = "10.1246/cl.190868",

language = "English",

volume = "49",

pages = "218--221",

journal = "Chemistry Letters",

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T1 - DFT study for selective adsorption of 1,3-dimethyltrisulfane responsible for aged odor in Japanese sake using supported gold nanoparticles

AU - Sonoura, Ayaka

AU - Hayashi, Akihide

AU - Ato, Yoshinori

AU - Koga, Hiroaki

AU - Murayama, Haruno

AU - Tokunaga, Makoto

AU - Okumura, Mitsutaka

N1 - Funding Information: This study was supported by a Grant-in-Aid for Scientific Research (c) (No. 17K05752), ALCA, and Elements Strategy Initiative for Catalysts and Batteries (ESICB) of the Ministry of Education, Culture, Sports, Science and Technology, Japan (MEXT). Publisher Copyright: © 2020 The Chemical Society of Japan

PY - 2020

Y1 - 2020

N2 - 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.

AB - 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.

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DFT study for selective adsorption of 1,3-dimethyltrisulfane responsible for aged odor in Japanese sake using supported gold nanoparticles

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