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The high sensitivity and comprehensive measurement of chemical agents - Theoretical prediction of spectroscopic properties by quantum chemical calculation -

Research Project

Project/Area Number 15K01227
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Social systems engineering/Safety system
Research InstitutionKyushu University

Principal Investigator

IMASAKA Tomoko  九州大学, 芸術工学研究院, 講師 (90193721)

Co-Investigator(Renkei-kenkyūsha) Imasaka Totaro  九州大学, 未来化学創造センター, 特命教授 (90193721)
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2016: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2015: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Keywords危機管理 / 化学兵器剤検知
Outline of Final Research Achievements

Organic compounds such as sarin, soman, and VX, were reported as the most dangerous nerve agents in the Chemical Weapons Convention (CWC) which came into effect in 1997. Development of a method for detection and identification of these compounds in a short time period is urgently required for homeland security. In this research, the spectral properties of the nerve agents and their metabolites were evaluated by quantum chemical calculation, and the results were used for sensitive and comprehensive analysis of the metabolites in a human urine sample based on femtosecond ionization mass spectrometry. As the result, the metabolites provided the molecular ions dominantly, which was useful for trace analysis of these compounds. In addition, 51 pesticides, some of which have similar chemical structures to the nerve agents and can be used as intermediate chemicals for synthesizing the nerve agents, were also investigated theoretically and experimentally.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (40 results)

All 2018 2017 2016 2015 Other

All Int'l Joint Research (2 results) Journal Article (15 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 15 results,  Acknowledgement Compliant: 10 results,  Open Access: 2 results) Presentation (19 results) (of which Int'l Joint Research: 12 results,  Invited: 4 results) Remarks (3 results) Patent(Industrial Property Rights) (1 results)

  • [Int'l Joint Research] Yanshan University(China)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Yanshan University(China)

    • Related Report
      2016 Research-status Report
  • [Journal Article] Determination of pesticides by gas chromatography combined with mass spectrometry using femtosecond lasers emitting at 267, 400, and 800 nm as the ionization source2018

    • Author(s)
      X. Yang, T. Imasaka, T. Imasaka
    • Journal Title

      Analytical Chemistry

      Volume: 90 Issue: 7 Pages: 4886-4893

    • DOI

      10.1021/acs.analchem.8b00537

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Detection of Nerve Agent Metabolites by Far-Ultraviolet Femtosecond Ionization Mass Spectrometry2017

    • Author(s)
      A. Hamachi, T. Imasaka, H. Nakamura, Adan Li, T. Imasaka
    • Journal Title

      Anal. Chem.

      Volume: 印刷中 Issue: 9 Pages: 5030-5035

    • DOI

      10.1021/acs.analchem.7b00386

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Suppression of Fragmentation in Multiphoton Ionization Mass Spectrometry Using a Near-Infrared Femtosecond Laser as an Ionization Source2017

    • Author(s)
      A. Li, P. D. Thang, T. Imasaka, T. Imasaka
    • Journal Title

      Analyst

      Volume: 142 Issue: 20 Pages: 3942-3947

    • DOI

      10.1039/c7an01172e

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Use of Chemical Conversion for Determination of Nitrated Aromatic Hydrocarbons Using Femtosecond Ionization Mass Spectrometry2017

    • Author(s)
      T. Fujii, T. Imasaka, T. Imasaka
    • Journal Title

      Anal. Chim. Acta

      Volume: 996 Pages: 48-53

    • DOI

      10.1016/j.aca.2017.09.049

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Optimal Laser Wavelength for Femtosecond Ionization of Polycyclic Aromatic Hydrocarbons and Their Nitrated Compounds in Mass Spectrometry2017

    • Author(s)
      A. Li, T. Imasaka, T. Imasaka
    • Journal Title

      Anal. Chem.

      Volume: 90 Issue: 4 Pages: 2963-2969

    • DOI

      10.1021/acs.analchem.8b00125

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Determination of Nerve Agent Metabolites by Ultraviolet Femtosecond Laser Ionization Mass Spectrometry2017

    • Author(s)
      Akifumi Hamachi, Tomoko Imasaka, Hiroshi Nakamura, Adan Li, Totaro Imasaka
    • Journal Title

      Analytical Chemistry

      Volume: 印刷中

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] A Simple Method for Evaluating the Pulse Width of an Ultraviolet Femtosecond Laser Used in Two-Photon Ionization Mass Spectrometry2016

    • Author(s)
      T. Imasaka, A. Hamachi, T. Okuno, T. Imasaka
    • Journal Title

      Appl. Sci.

      Volume: 6 Issue: 5 Pages: 136-136

    • DOI

      10.3390/app6050136

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Determination of Polycyclic Aromatic Hydrocarbons and their Nitro-, Amino-Derivatives Adsorbed on Particulate Matter 2.5 by Multiphoton Ionization Mass Spectrometry Using Far-, Deep-, and Near-Ultraviolet Femtosecond Lasers2016

    • Author(s)
      Y. Tang, T. Imasaka, S. Yamamoto, T. Imasaka
    • Journal Title

      Chemosphere

      Volume: 152 Pages: 252-258

    • DOI

      10.1016/j.chemosphere.2016.02.114

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Determination of Fragrance Allergens by Ultraviolet Femtosecond Laser Ionization Mass Spectrometry2016

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

      Anal. Chem.

      Volume: 88 Issue: 21 Pages: 10693-10700

    • DOI

      10.1021/acs.analchem.6b03229

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Determination of Hexachlorocyclohexane by Gas Chromatography Combined with Femtosecond Laser Ionization Mass Spectrometry2016

    • Author(s)
      X. Yang, T. Imasaka, A. Li, T. Imasaka
    • Journal Title

      J. Amer. Soc. Mass Spectrom.

      Volume: 27 Issue: 12 Pages: 1999-2005

    • DOI

      10.1007/s13361-016-1497-7

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Analysis of Parent/Nitrated Polycyclic Aromatic Hydrocarbons in Particulate Matter 2.5 Based on Femtosecond Ionization Mass Spectrometry2016

    • Author(s)
      Noboru Itouyama, Taiki Matsui, Shigekazu Yamamoto, Tomoko Imasaka, Totaro Imasaka
    • Journal Title

      Journal of the American Society for Mass Spectroscopy

      Volume: 27 Issue: 2 Pages: 293-300

    • DOI

      10.1007/s13361-015-1276-x

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Detection of polychlorinated biphenyls in transformer oils in Vietnam by multiphoton ionization mass spectrometry using a far-ultraviolet femtosecond laser as an ionization source2016

    • Author(s)
      Vu Thi Thuy Duong, Vu Duong, Nghiem Thi Ha Lien, Tomoko Imasaka, Yuanyuan Tang, Shinpei Shibuta, Akifumi Hamachi, Do Quang Hoa, Totaro Imasaka
    • Journal Title

      Talanta

      Volume: 149 Pages: 275-279

    • DOI

      10.1016/j.talanta.2015.11.054

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Autocorrelation and Frequency-Resolved Optical Gating Measurements Based on the Third Harmonic Generation in a Gaseous Medium2015

    • Author(s)
      Yoshinari Takao, Tomoko Imasaka, Yuichiro Kida, Totaro Imasaka
    • Journal Title

      Applied Sciences

      Volume: 5 Issue: 2 Pages: 136-144

    • DOI

      10.3390/app5020136

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Multiphotonionizationmassspectrometryofnitratedpolycyclicaro- matic hydrocarbons2015

    • Author(s)
      YuanyuanTang, Tomoko Imasaka, ShigekazuYamamoto, and Totaro Imasaka
    • Journal Title

      Talanta

      Volume: 140 Pages: 109-114

    • DOI

      10.1016/j.talanta.2015.03.027

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] A simple Method for the Measurement of the Optical Pulse Width On-Site the Mass Spectrometer2015

    • Author(s)
      Tomoko Imasaka, Akifumi Hamachi, Tomoya Okuno, Totaro Imasaka
    • Journal Title

      CLEO: 2015 OSA Technical Digest

      Volume: 2015

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Presentation] Theoretical calculation of the elution order of (+/-)-α-hexachlorocyclohexane separated by a stationary phase consisting of permethylated γ-cyclodextrin in gas chromatography2017

    • Author(s)
      T. Imasaka, X. Yang, A. Li, T. Imasaka
    • Organizer
      Euroanalysis2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Femtosecond ionization mass spectrometry -A new tool for practical trace analysis in environmental science and technology-2017

    • Author(s)
      K. Kojima, T. Imasaka, T. Imasaka
    • Organizer
      Euroanalysis 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Femtosecond ionization mass spectrometry for trace analysis of environmental pollutants adsorbed on particulate matter 2.52017

    • Author(s)
      Y. Tang, A. Li, T. Imasaka, T. Imasaka
    • Organizer
      The 14th Asian Conference on Analytical Sciences (ASIANALYSIS XIV)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Femtosecond laser induced ionization and dissociation of pentachlorobenzene studied by time-of-flight mass spectrometry2017

    • Author(s)
      A. Li, T. P. Dinh, T. Imasaka, T. Imasaka
    • Organizer
      日本分析化学会 第66年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Time-correlated single ion counting in time-of-flight femtosecond-laser-ionization mass spectrometry2017

    • Author(s)
      T. Ju, K. Yoshinaga, H. Nakamura, A. Li, T. Imasaka, T. Imasaka
    • Organizer
      日本分析化学会 第66年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Femtosecond ionization mass spectrometry: an advanced tool for the analysis of pollutants, explosives, and nerve agents2016

    • Author(s)
      Akifumi Hamachi, Tomoko Imasaka, Totaro Imasaka
    • Organizer
      13th Asian Conference on Analytical Sciences (Asianalysis XIII)
    • Place of Presentation
      Chiang Mai, Thailand
    • Year and Date
      2016-12-08
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Efficient nonresonant multiphoton ionization in the femtosecond region2016

    • Author(s)
      Akifumi Hamachi, Hiroaki Kouno, Tomoko Imasaka, Totaro Imasaka
    • Organizer
      Joint 13th Asia Pacific Physics Conference and 22nd Australian Institute of Physics Congress
    • Place of Presentation
      Brisbane, Australia
    • Year and Date
      2016-12-04
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] An ultraviolet femtosecond laser for multiphoton ionization in mass spectrometry2016

    • Author(s)
      Takuya Fujii, Tomoko Imasaka, Totaro Imasaka
    • Organizer
      Joint 13th Asia Pacific Physics Conference and 22nd Australian Institute of Physics Congress
    • Place of Presentation
      Brisbane, Australia
    • Year and Date
      2016-12-04
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 多光子イオン化質量分析法を用いるニトロ多環芳香族炭化水素の還元計測2016

    • Author(s)
      藤井卓也、今坂 智子、今坂 藤太郎
    • Organizer
      日本分析化学会第65年会
    • Place of Presentation
      北海道大学
    • Year and Date
      2016-09-14
    • Related Report
      2016 Research-status Report
  • [Presentation] Spectral Properties of Allergy Substances in Fragrance Calculated for Use in Multiphoton Ionization Mass Spectrometry2016

    • Author(s)
      Tomoko Imasaka, Totaro Imasaka
    • Organizer
      40th International Symposium on Capillary Chromatography and 13th GCxGC Symposium
    • Place of Presentation
      Riva del Garda, Italy
    • Year and Date
      2016-05-29
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Determination of Allergy Substances in Fragrances by Capillary Gas Chromatography / Laser Ionization Mass Spectrometry Using a Femtosecond Laser as an Ionization Source2016

    • Author(s)
      Shimpei Shibuta, Tomoko Imasaka, Totaro Imasaka
    • Organizer
      40th International Symposium on Capillary Chromatography and 13th GCxGC Symposium
    • Place of Presentation
      Riva del Garda, Italy
    • Year and Date
      2016-05-29
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] Generation of Ultrashort Optical Pulses by Four-Wave Mixing in a Gaseous Medium2016

    • Author(s)
      Yuichiro Kida, Tomoko Imasaka, Totaro Imasaka
    • Organizer
      The Winter Colloquium on the Physics of Quantum Electronics (PQE)
    • Place of Presentation
      Snowbird (USA)
    • Year and Date
      2016-01-03
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Determination of nerve agent metabolites by gas chromatography/multiphoton ionization/time-of-flight mass spectrometry2015

    • Author(s)
      Akifumi Hamachi, Tomoko Imasaka, Yoshifumi Mori, Duong Vu, Yuichiro Kida, Totaro Imasaka
    • Organizer
      2015 International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] Time-of-flight mass spectrometry of polycyclic aromatic hydrocarbons and their analogs2015

    • Author(s)
      Yuanyuan Tang, Tomoko Imasaka, Shigenari Yamamoto, Totaro Imasaka
    • Organizer
      2015 International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Honolulu (USA)
    • Year and Date
      2015-12-15
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] ガスクロマトグラフィー/多光子イオン化/質量分析法を用いたPM2.5に含まれる多環芳香族炭化水素化合物類の分析2015

    • Author(s)
      伊東山 登、 松井 大宜、山本 重一、今坂 智子、今坂 藤太郎
    • Organizer
      日本分析化学会第64年会
    • Place of Presentation
      福岡(九州大学)
    • Year and Date
      2015-09-09
    • Related Report
      2015 Research-status Report
  • [Presentation] Determination of Hexachlorocyclohexane Isomers by Femtosecond Laser Using Gas Chromatography /Multiphoton Ionization / Mass Spectrometry2015

    • Author(s)
      Xixiang Yang, Tomoko Imasaka, and Totaro Imasaka
    • Organizer
      日本分析化学会第64年会
    • Place of Presentation
      福岡(九州大学)
    • Year and Date
      2015-09-09
    • Related Report
      2015 Research-status Report
  • [Presentation] アレルゲン性を有する香料成分のレーザーイオン化質量分析2015

    • Author(s)
      澁田 新平、森 兆史、下道 治、Vu, Duong、貴田 祐一郎、今坂 智子、今坂 藤太郎
    • Organizer
      日本分析化学会第75回分析化学討論会
    • Place of Presentation
      甲府(山梨)
    • Year and Date
      2015-05-23
    • Related Report
      2015 Research-status Report
  • [Presentation] Multiphoton Ionization of Parent Polycyclic Aromatic Hydrocarbons, Nitrated Polycyclic Aromatic Hydrocarbons and Amino-Polycyclic Aromatic Hydrocarbons2015

    • Author(s)
      Yuanyuan Tang, Tomoko Imasaka, Shigekazu Yamamoto, and Totaro Imasaka
    • Organizer
      日本分析化学会第75回分析化学討論会
    • Place of Presentation
      甲府(山梨大学)
    • Year and Date
      2015-05-23
    • Related Report
      2015 Research-status Report
  • [Presentation] A simple method for the measurement of the optical pulse width on-site the mass spectrometer2015

    • Author(s)
      Tomoko Imasaka, Akifumi Hamachi, Tomoya Okuno, Totaro Imasaka
    • Organizer
      Conference on Lasers and Electro-Optics (CLEO)
    • Place of Presentation
      San Jose (USA)
    • Year and Date
      2015-05-10
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Remarks] 九州大学研究者情報

    • URL

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

    • Related Report
      2017 Annual Research Report
  • [Remarks] 九州大学研究者情報(今坂智子)

    • URL

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

    • Related Report
      2016 Research-status Report
  • [Remarks] 九州大学研究者情報 [今坂智子]

    • URL

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

    • Related Report
      2015 Research-status Report
  • [Patent(Industrial Property Rights)] 飛行時間型質量分析装置及び質量分析方法2017

    • Inventor(s)
      今坂藤太郎、今坂智子
    • Industrial Property Rights Holder
      今坂藤太郎、今坂智子
    • Industrial Property Rights Type
      特許
    • Filing Date
      2017
    • Related Report
      2017 Annual Research Report

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Published: 2015-04-16   Modified: 2019-03-29  

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