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Ultrafast Laser Ionization Mass Spectrometry and Theoretical Prediction of the Spectrum for Compounds related to Terrorism.

Research Project

Project/Area Number 20510158
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Social systems engineering/Safety system
Research InstitutionKyushu University

Principal Investigator

IMASAKA Tomoko  Kyushu University, 大学院・芸術工学研究院, 教務職員 (90193721)

Co-Investigator(Kenkyū-buntansha) IMASAKA Totaro  九州大学, 大学院・工学研究院, 主幹教授 (30127980)
Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2010: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2009: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2008: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords危機管理 / 理論計算 / 分析条件決定 / 危険物質 / 分子軌道計算 / 超短パルスレーザー / 危険物 / 電子状態
Research Abstract

Quantum chemical calculation was performed for ultrafast ionization mass spectrometry of the compounds related to terrorism for theoretical prediction of the molecular parameters, keeping in mind the realization of Japan being proud of security and the safest country in the world. A laser developed for the generation of an ultrashort optical pulse in Graduate School of Engineering, Kyushu University was used for ionization. The transition energy and the ionization energy necessary in analysis were theoretically calculated using Gaussian03 program.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (41 results)

All 2011 2010 2009 2008 Other

All Journal Article (16 results) (of which Peer Reviewed: 16 results) Presentation (22 results) Remarks (3 results)

  • [Journal Article] Gas Chromatography/Femtosecond Multiphoton Ionization/Time-of-Flight Mass Spectrometry of Dioxins2010

    • Author(s)
      Y.Watanabe-Ezoe, X.Li, T.Imasaka, T.Uchimura, T.Imasaka
    • Journal Title

      Anal.Chem. Vol.82

      Pages: 6519-6525

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Enhancement of Molecular Ions in Mass Spectrometry Using an Ultrashort Optical Pulse in Multiphoton Ionization2010

    • Author(s)
      T.Shimizu, Y.Watanabe-Ezoe, S.Yamaguchi, H.Tsukatani, T.Imasaka, S.Zaitsu, T.Uchimura, T.Imasaka
    • Journal Title

      Anal.Chem. Vol.82

      Pages: 3441-3444

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Enhancement of Molecular Ions in Mass Spectrometry Using an Ultrashort Optical Pulse in Multiphoton Ionization2010

    • Author(s)
      T.Shimizu, Y.Watanabe-Ezoe, S.Yamaguchi, H.Tsukatani, T.Imasaka, S.Zaitsu, T.Uchimura, T.Imasaka
    • Journal Title

      Analytical Chemistry

      Volume: 82 Pages: 3441-3444

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gas Chromatography/Femtosecond Multiphoton Ionization/Time-of-Flight Mass Spectrometry of Dioxins2010

    • Author(s)
      Y.Watanabe-Ezoe, X.Li, T.Imasaka, T.Uchimura, T.Imasaka
    • Journal Title

      Analytical Chemistry

      Volume: 82 Pages: 6519-6525

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] The S_1←S_0 0-0 Transition Energies of Polychlorinated Dibenzofurans (PCDFs) Calculated Using CIS(D) and MP2 with Correction for Correlation Energies2009

    • Author(s)
      S.Hirokawa, T.Imasaka, T.Imasaka
    • Journal Title

      J.Mol.Struct.(THEOCHEM) Vol.915

      Pages: 79-85

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Gas Chromatography / Time-of-Flight Mass Spectrometry of Triacetone Triperoxide Based on Femtosecond Laser Ionization2009

    • Author(s)
      S.Yamaguchi, T.Uchimura, T.Imasaka, T.Imasaka
    • Journal Title

      Rapid Commun.Mass Spectrom. Vol.23

      Pages: 3101-3106

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Selective Ionization of 2,4-Xylenol in Mass Spectrometry Using a Tunable Laser and Supersonic Jet Technique2009

    • Author(s)
      H.Tsukatani, H.Okudaira, T.Uchimura, T.Imasaka, T.Imasaka
    • Journal Title

      Analytical Sciences Vol.25

      Pages: 599-604

    • NAID

      10025212070

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Data Processing Technique in Gas Chromatography/Time-of-Flight Mass Spectrometry2009

    • Author(s)
      T.Imasaka, N.Nakamura, Y.Sakoda, S.Yamaguchi, Y.Watanabe-Ezoe, T.Uchimura, T.Imasaka
    • Journal Title

      ANALYST Vol.134(4)

      Pages: 712-718

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Near-Ultraviolet Femtosecond Laser Ionization of Dioxins in Gas Chromatography/Time-of-Flight Mass Spectrometry2009

    • Author(s)
      S.Yamaguchi, F.Kira, Y.Miyoshi, T.Uchimura, Y.Watanabe-Ezoe, S.Zaitsu, T.Imasaka, T.Imasaka
    • Journal Title

      Analytica Chimica Acta Vol.632(2)

      Pages: 229-233

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Selective Ionization of 2,4-Xylenol in Mass Spectrometry Using a Tunable Laser and Supersonic Jet Technique2009

    • Author(s)
      H.Tsukatani, et al.
    • Journal Title

      Analytical Sciences 25

      Pages: 599-604

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gas Chromatography/Time-of-Flight Mass Spectrometry of Triacetone Triperoxide Based on Femtosecond Laser Ionization2009

    • Author(s)
      S.Yamaguchi, et al.
    • Journal Title

      Rapid Commun.Mass Spectrom. 23

      Pages: 3101-3106

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] The S1 S0 0-0 Transition Energies of Polychlorinated Dibenzofurans(PCDFs)Calculated Using CIS(D)and MP2 with Correction for Correlation Energies2009

    • Author(s)
      S.Hirokawa, et al.
    • Journal Title

      Journal of Molecular Structure(THEOCHEM) 915

      Pages: 79-85

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Near-Ultraviolet Femtosecond Laser Ionization of Dioxins in Gas Chromatography/Time-of-Flight Mass Spectrometry2009

    • Author(s)
      S. Yamaguchi, et al.
    • Journal Title

      Analytica Chimica Acta (ScienceDirect Journals) 632(2)

      Pages: 229-233

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Data Processing Technique in Gas Chromatography/Time-of-Flight Mass Spectrometry2009

    • Author(s)
      T. Imasaka, et al.
    • Journal Title

      Analyst (Royal Society of Chemistry) 134(4)

      Pages: 712-718

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gas Chromatography/Multiphoton Ionization/Mass Spectrometry of Pentachlorodibenzofurans in Soils2008

    • Author(s)
      Y.Watanabe-Ezoe, N.Nakamura, T.Uchimura, S.Yamaguchi, T.Imasaka, T.Imasaka
    • Journal Title

      Organohalogen Compounds Vol.70

      Pages: 2396-2399

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Gas Chromatography/Multiphoton Ionization/Mass Spectrometry of Pentachlorodibenzofurans in Soils2008

    • Author(s)
      Y. Watanabe-Ezoe, et al.
    • Journal Title

      Organohalogen Compounds 70

      Pages: 2396-2399

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] ガスクロマトグラフィー/レーザー多光子イオン化/飛行時間型質量分析計を用いる農薬分析のための量子化学計算2011

    • Author(s)
      今坂智子、李阿丹、今坂藤太郎
    • Organizer
      日本化学会第91春季年会
    • Place of Presentation
      神奈川大学
    • Year and Date
      2011-03-28
    • Related Report
      2010 Final Research Report
  • [Presentation] ガスクロマトグラフィー/レーザー多光子イオン化/飛行時間型質量分析計を用いる農薬分析のための量子化学計算2011

    • Author(s)
      今坂智子・李阿丹・今坂藤太郎
    • Organizer
      日本化学会第91春季年会
    • Place of Presentation
      神奈川大学 横浜キャンパス(神奈川県)
    • Year and Date
      2011-03-28
    • Related Report
      2010 Annual Research Report
  • [Presentation] 爆発物"トリアセトントリペルオキシド"のガスクロマトグラフ/質量分析における複数ピークの帰属に関する理論的考察2010

    • Author(s)
      今坂智子、下道治、内村智博、今坂藤太郎
    • Organizer
      日本分析化学会第59年会
    • Place of Presentation
      東北大学
    • Year and Date
      2010-09-15
    • Related Report
      2010 Final Research Report
  • [Presentation] 爆発物"トリアセトントリペルオキシド"のガスクロマトグラフ/質量分析における複数ピークの帰属に関する理論的考察2010

    • Author(s)
      今坂智子・下道治・内村智博・今坂藤太郎
    • Organizer
      日本分析化学会第59年会
    • Place of Presentation
      東北大学川内北キャンパス(宮城県)
    • Year and Date
      2010-09-15
    • Related Report
      2010 Annual Research Report
  • [Presentation] Ultraviolet laser ionization of polybrominated diphenyl ethers in mass spectroscopy2009

    • Author(s)
      O.Shitamichi, T.Imasaka, Y.Watanabe-Ezoe, T.Uchimura, T.Imasaka
    • Organizer
      The International Symposium on Environmental Problems in East Asia 2009, W4-314(This Symposium is organized by Environmental Chemistry group of Research Institute for East Asia Environments (riEAE), and supported by Kyushu Univ. Global COE program "Science for Future Molecular Systems")
    • Place of Presentation
      Ito Campus, Kyushu University, Fukuoka, Japan.
    • Year and Date
      2009-12-08
    • Related Report
      2010 Final Research Report
  • [Presentation] Ultraviolet laser ionization of polybrominated diphenyl ethers in mass spectrometry2009

    • Author(s)
      O.Shitamichi, et al.
    • Organizer
      The International Symposium on Environmental Problems in East Asia 2009
    • Place of Presentation
      Kyushu University
    • Year and Date
      2009-12-08
    • Related Report
      2009 Annual Research Report
  • [Presentation] テロに利用される爆発物"トリアセトントリペルオキシド"の物性の理論予測2009

    • Author(s)
      今坂智子・塚谷裕子・清水隆史・財津慎一・内村智博・今坂藤太郎
    • Organizer
      日本分析化学会第58年会
    • Place of Presentation
      北海道大学
    • Year and Date
      2009-09-24
    • Related Report
      2010 Final Research Report
  • [Presentation] テロに利用される爆発物 "トリアセトントリペルオキシド "の物性の理論予測2009

    • Author(s)
      今坂智子, 他
    • Organizer
      日本分析化学会第58年会
    • Place of Presentation
      北海道大学
    • Year and Date
      2009-09-24
    • Related Report
      2009 Annual Research Report
  • [Presentation] Determination of 2,4-Xylenol by Gas Chromatography/Resonance-Enhanced Multiphoton Ionization/Time-of-Flight Mass Spectrometry Combined with Supersonic Jet Spectrometry2009

    • Author(s)
      H.Tsukatani, et al.
    • Organizer
      10th Asian Conference on Analytical Sciences(Asianalysis X)
    • Place of Presentation
      Kuala Lumpur(Putra World Trade Center), Malaysia
    • Year and Date
      2009-08-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] Trace Analysis of Triacetone Triperoxide(TATP)by Means of Gas Chromatography Combined with Femtosecond Laser Ionization/Time-of-Flight Mass Spectrometry2009

    • Author(s)
      S.Yamaguchi, et al.
    • Organizer
      10th Asian Conference on Analytical Sciences(Asianalysis X)
    • Place of Presentation
      Kuala Lumpur(Putra World Trade Center), Malaysia
    • Year and Date
      2009-08-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] Trace Analysis of Triacetone Triperoxide (TATP) by Means of Gas Chromatography Combined with Femtosecond Laser Ionization/Time-of-Flight Mass Spectrometry2009

    • Author(s)
      S.Yamaguchi, T.Uchimura, T.Imasaka, T.Imasaka
    • Organizer
      10th Asian Conference on Analytical Sciences (Asianalysis X)
    • Place of Presentation
      Kuala Lumpur (Putra World Trade Center), Malaysia.
    • Related Report
      2010 Final Research Report
  • [Presentation] Determination of 2,4-Xylenol by Gas Chromatography/Resonance-Enhanced Multiphoton Ionization/Time-of-Flight Mass Spectrometry Combined with Supersonic Jet Spectrometry2009

    • Author(s)
      H.Tsukatani, H.Okudaira, T.o Uchimura, T.Imasaka, T.Imasaka
    • Organizer
      10th Asian Conference on Analytical Sciences (Asianalysis X)
    • Place of Presentation
      Kuala Lumpur (Putra World Trade Center), Malaysia.
    • Related Report
      2010 Final Research Report
  • [Presentation] Gas Chromatography/ Multiphoton Ionization/ Time-of-Flight Mass Spectrometry of Dioxins Using Femtosecond Laser2008

    • Author(s)
      Y.Watanabe-Ezoe, N.Nakamura, T.Uchimura, S.Yamaguchi, T.Imasaka, T.Imasaka
    • Organizer
      International Symposium on Environmental Analysis 2008
    • Place of Presentation
      ACROS, Fukuoka.
    • Year and Date
      2008-11-26
    • Related Report
      2010 Final Research Report
  • [Presentation] Data Processing Technique in Gas Chromatography/Multiphoton Ionization/Time-of-Flight Mass Spectrometry2008

    • Author(s)
      T.Imasaka, N.Nakamura, Y.Sakoda, S.Yamaguchi, Y.Watanabe-Ezoe, T.Uchimura, T.Imasaka
    • Organizer
      International Symposium on Environmental Analysis 2008
    • Place of Presentation
      ACROS, Fukuoka.
    • Year and Date
      2008-11-26
    • Related Report
      2010 Final Research Report
  • [Presentation] Data Processing Technique in Gas Chromatography / Multiphoton Ionization /Time-of-Flight Mass Spectrometry2008

    • Author(s)
      T. Imasaka, et al.
    • Organizer
      International Symposium on Environmental Analysis 2008, 26^<th>, November, 2008 九州大学80周年シンポジウム
    • Place of Presentation
      福岡アクロス
    • Year and Date
      2008-11-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] Gas Chromatography / Multiphoton Ionization /Time-of-Flight Mass Spectrometry of Dioxins using femtosecond laser2008

    • Author(s)
      Y. Watanabe-Ezoe, et al.
    • Organizer
      International Symposium on Environmental Analysis 2008, 26^<th>, November, 2008 九州大学80周年シンポジウム
    • Place of Presentation
      福岡アクロス
    • Year and Date
      2008-11-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] ダイオキシン分析におけるレーザーイオン化質量分析法の信頼性評価及び土壌試料の測定2008

    • Author(s)
      中村奈未・渡辺優香・内村智博・今坂智子・今坂藤太郎
    • Organizer
      日本分析化学会第57年会
    • Place of Presentation
      福岡大学
    • Year and Date
      2008-09-10
    • Related Report
      2010 Final Research Report 2008 Annual Research Report
  • [Presentation] Advanced Technology For Dioxin Analysis2008

    • Author(s)
      渡辺優香, 今坂藤太郎, 内村智博, 今坂藤太郎
    • Organizer
      Sino-Japan International Symposium on the East Asian Environmental Problems
    • Place of Presentation
      Shanghai, China.
    • Year and Date
      2008-08-26
    • Related Report
      2010 Final Research Report
  • [Presentation] ADVANCED TECHNOLOGY FOR DIOXIN ANALYSIS2008

    • Author(s)
      Y. Watanabe-Ezoe, et al.
    • Organizer
      Sino-Japan International Symposium on the East Asian Environmental Problems
    • Place of Presentation
      Shanghai, China
    • Year and Date
      2008-08-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] Gas Chromatography/Multiphoton Ionization/Mass Spectrometry of Pentachloro Dibenzofurans in Soil2008

    • Author(s)
      Y.Watanabe-Ezoe, N.Nakamura, Y.Sakoda, S.Yamaguchi, T.Imasaka, T.Uchimura, T.Imasaka
    • Organizer
      DIOXIN 2008. 28^<th> International Symposium on halogenated persistent Organic Pollutants (POPs)
    • Place of Presentation
      Birmingham, UK.
    • Year and Date
      2008-08-19
    • Related Report
      2010 Final Research Report
  • [Presentation] Gas chromatography/multiphoton ionization/mass spectrometry of pentachloro dibenzofurans in soil2008

    • Author(s)
      Y. Watanabe-Ezoe, et al.
    • Organizer
      DIOXIN 2008. 28^<th> International Symposium on halogenated persistent Organic Pollutant s(POPs)
    • Place of Presentation
      Birmingham England UK
    • Year and Date
      2008-08-19
    • Related Report
      2008 Annual Research Report
  • [Presentation] ダイオキシン分析におけるレーザーイオン化質量分析法の信頼性評価及び土壌試料の測定2008

    • Author(s)
      中村奈未・渡辺優香・内村智博・今坂智子・今坂藤太郎
    • Organizer
      日本分析化学会若手の会
    • Place of Presentation
      熊本市火の国ハイツ
    • Year and Date
      2008-07-28
    • Related Report
      2010 Final Research Report
  • [Remarks] ホームページ等

    • URL

      http://hyoka.ofc.kyushu-u.ac.jp/search/details/K003584/

    • Related Report
      2010 Final Research Report
  • [Remarks]

    • URL

      http://hyoka.ofc.kyushu-u.ac.jp/search/details/K003584/index.html

    • Related Report
      2010 Annual Research Report
  • [Remarks]

    • URL

      http://hyoka.ofc.kyushu-u.ac.jp/search/details/K003584/research.html

    • Related Report
      2009 Annual Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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