Similarity of odor qualities and similarity of molecules : Examples of molecules that contain a cis-type carbon-carbon double bond or a thioether moiety

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概要

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• The similarity of odor qualities by substituting the cis-type carbon-carbon double bond (cis -C=C-) for a thioether moiety (-S-) has been reported in some published papers. However, the degrees of the odor similarities were not reported. One of the objectives of this study is to measure the odor similarities by substituting the cis -C=C- for-S-. Another purpose of this study is to investigate the molecular features that contribute to the odor similarity in such cases. We employed the following two methods : 1) olfactory evaluations to measure the actual odor perception of the participants, and 2) computer chemistry to calculate the molecular features of the odorous compounds. As a result, it was confirmed that the odor quality did not significantly change in some cases though it was not a general trend when the cis -C=C- moiety was substituted for -S-. Similarities in the odors were mainly explained by the similarities in both the structural and electrostatic features based on the computational calculations. When the structural and electronic features were similar in two compounds, they are expected to produce similar odors.

• お茶の水女子大学の論文

著者

• Takano Keiko

  Graduate School Of Humanities And Sciences Ochanomizu University

• Kubota Kikue

  Graduate School Of Humanities And Sciences Ochanomizu University

• HAGIWARA Hisahiro

  Graduate School of Science and Technology, Niigata University

• Ayabe-kanamura Saho

  Health Science University

• Yoshii Fumiko

  Kisarazu National College of Technology, Kisarazu

• Yamada Yoshiaki

  Graduate School of Medical and Dental Sciences, Niigata University

• Kubota Kikue

  Graduate School Of Humanities And Laboratory Of Food Chemistry Ochanomizu University

• Yoshii Fumiko

  Kisarazu National College Of Technology Kisarazu

• Takano Keiko

  Graduate School Of Humanities And Sciences And The Glycoscience Institute Ochanomizu University

• Hagiwara Hisahiro

  Graduate School Of Science And Technology Niigata University

• Takano Keiko

  Department Of Chemistry Faculty Of Science Ochanomizu University

• Yamada Yoshiaki

  Graduate School Of Medical And Dental Sciences Niigata University

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