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Quantum chemical approach to the mechanism on discrimination on odor molecules

Research Project

Project/Area Number 14580776
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Neuroscience in general
Research InstitutionToho University

Principal Investigator

KISHI Kiyoshi  Toho University, School of Medicine, Dept., Anat., Professor, 医学部, 教授 (00014118)

Project Period (FY) 2002 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥3,400,000 (Direct Cost: ¥3,400,000)
Fiscal Year 2004: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2003: ¥500,000 (Direct Cost: ¥500,000)
Fiscal Year 2002: ¥2,400,000 (Direct Cost: ¥2,400,000)
Keywordsodor molecules / raspberry odor / musk odor / electrophilic frontier density / computer aided chemistry / perfumers / discriminant function analysis / multiple regression analysis / 反応特性 / 量子化学 / 電子供与性フロンティア電子密度 / ニオイ強度 / ニオイの性質 / CAChe Work Program / 電子供与性フロシティア電子密度 / CAChe Work System / 統計的解析
Research Abstract

This study was performed to characterize the response properties of odor molecules, which are indispensable for understanding the specificity of odor-receptor interactions underlying odor discrimination. First,28 raspberry related molecules including 8 raspberry odorous and 19 odorless molecules reported by Winter (1961) were analyzed. We used electrophilic frontier density(EFD) (Fukui et al.,1954) to evaluate the reactivity based on the localization of reactive electrons of these molecules. The EFD was computed for all of the atoms of each raspberry related molecules using Computer Aided Chemistry (CAChe, version 3.8,Oxford) program with chemical parameter of PM3. The relationship between reactivity of molecules, i.e., EFD values on appointed positions of the molecules, and raspberry odor intensities judged by perfumers was studied by discriminant function analysis and multiple regression analysis. The results are as follows : 1)Two reactive EFD on appointed position of molecules disc … More riminated 8 raspberry odorous and 19 odorless molecules with error discriminated probability of 0%. Bond distance ot two reactive EFD was 1.390±0.012Å (Mean±SEM). 2)The same EFD values correlated with levels of raspberry odor intensities judged by perfumers using multiple regression analysis (r<0.994,p<0.01). 3)We found bond distance between two reactive EFD of raspberry related molecules was significantly similar to that of 203 musk related molecules in our previous study (p<0.01). Therefore, we analyzed statistically whether these EFD values can effectively discriminate among three groups, group A of 8 raspberry odorous molecules, group B of 83 odorless molecules including 19 raspberry odorless and 64 musk odorless molecules, and group C of 139 musk odorous molecules. Two EFD values were able to discriminate all 8 raspberry odorous molecules, 79 out of 83 odorless molecules, and 122 out of 139 musk odorous molecules. Correct discrimination indicated 90.9% (p<0.01). In addition, we also analyzed several other odor molecules using the same method, and neural network that play important role for odor discrimination. Less

Report

(4 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report
  • 2002 Annual Research Report
  • Research Products

    (15 results)

All 2004 2003 Other

All Journal Article (11 results) Publications (4 results)

  • [Journal Article] Quantitative analysis of axon collaterals of single neurons in layer IIa of the piriform cortex of the guinea pig2004

    • Author(s)
      Yang J, Quraishi AU, Murakami K, Ishikawa Y, Takayanagi M, Kakuta S, Kishi K
    • Journal Title

      Journal of Comparative Neurology 473

      Pages: 30-42

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantitative analysis of axon collaterals of single superficial pyramidal cells in layer IIb of the piriform cortex of the guinea pig2004

    • Author(s)
      Quraishi AU, Yang J, Murakami K, Oda S, Takayanagi M, Kimura A, Kakuta S, Kishi K
    • Journal Title

      Brain Research 1026

      Pages: 84-94

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 梨状葉皮質ニューロンの軸索側枝の解析2004

    • Author(s)
      岸 清
    • Journal Title

      生体の科学 55

      Pages: 578-584

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantitative analysis of axon collaterals of single superficial pyramidal cells in layer IIb of the piriform cortex of the guinea pig.2004

    • Author(s)
      Quraishi AU, Yang J, Murakami K, Oda S, Y, Takayanagi M, Kimura A, Kakuta S, Kishi K
    • Journal Title

      Bran Res 1026

      Pages: 84-94

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Analysis of axon collaterals of nerve cells in the piriform cortex (In Japanese)2004

    • Author(s)
      Kiyoshi Kishi
    • Journal Title

      Seitainokagaku 55

      Pages: 578-584

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantitative analysis of axon collaterals of single superficial pyramidal cells in layer IIb of the piriform cortex of the guinea pig2004

    • Author(s)
      Quraish AI, Yang JL, Murakami K, Ishikawa Y, Takayanagi, Kimura, Kakuta, Kishi K
    • Journal Title

      Brain Research 1026

      Pages: 84-94

    • Related Report
      2004 Annual Research Report
  • [Journal Article] ニオイ分子の量子化学的解析2003

    • Author(s)
      石川陽一, 岸 清
    • Journal Title

      細胞 35

      Pages: 201-205

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantitative analysis of axon collaterals of single cells in layer III of the piriform cortex of the guinea pig2003

    • Author(s)
      Chen S, Murakami K, Oda S, Kishi K
    • Journal Title

      Journal of Comparative Neurology 465

      Pages: 455-465

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantum chemical approach to odor molecules (in Japanese)2003

    • Author(s)
      Youichi Ishikawa, Kiyoshi Kishi
    • Journal Title

      Saibo 35

      Pages: 201-205

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantitative analysis of axon collaterals of single cells in layer III of the piriform cortex of the guinea pig2003

    • Author(s)
      Chen S, Murakami K, Oda S, Kishi K
    • Journal Title

      J Comp Neurol 465

      Pages: 455-465

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Quantitative analysis of axon collaterals of single neurons in layer III of the piriform cortex of the guinea pig.2003

    • Author(s)
      Yang J, Quraishi AU, Murakami K, Ishikawa Y, Takayanagi M, Kakuta S, Kishi K
    • Journal Title

      J Comp Neurol 465

      Pages: 455-465

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Publications] 石川陽一, 岸 清: "ニオイ分子の量子化学的解析"細胞. 35・5. 201-205 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Chen S, Murakami K, Oda S, Kishi K.: "Quantitative analysis of axon collaterals of single cells in layer III of the piriform cortex of the guinea pig"J.Comparative Neurology. 465. 455-465 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Yovng J, Quteiish AU, Murakami K, Ishikawa Y, Takayanagi M, Kakuta S, Kishi K.: "Quantitative analysis of axon collaterals of single neurons in layer IIa of the piriform cortex of the guinea pig"J.Comparative Neurology. 473. 30-42 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] 石川陽一, 岸 清: "ニオイ分子の量子化学的解析"細胞生物学. 34巻. (2003)

    • Related Report
      2002 Annual Research Report

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Published: 2002-04-01   Modified: 2016-04-21  

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