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Development of a prediction method of bioconcentration for perfluoroalkyl acids

Research Project

Project/Area Number 17K00637
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Environmental risk control and evaluation
Research InstitutionPrefectural University of Kumamoto

Principal Investigator

Kobayashi Jun  熊本県立大学, 環境共生学部, 准教授 (00414368)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2019: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2017: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywords生物濃縮 / ペルフルオロアルキル酸 / 魚類 / タンパク結合 / ペルフルオロアルキル酸化合物 / PFAA / 解離定数 / 取り込み速度定数 / 排泄速度定数 / 代謝速度定数 / ドッキングシミュレーション / 薬物代謝 / 両親媒性物質 / アルブミン / 結合定数
Outline of Final Research Achievements

In this study, we aimed to develop a highly accurate bioconcentration prediction method for perfluoroalkyl acids (PFAAs). Bioconcentration experiments for rainbow trout, protein binding experiments, liver S9 metabolism experiments, and docking simulations were conducted. As the results of these experiments, bioconcentration factors (BCFs) and kinetic parameters such as half-lives of PFAAs were obtained. In addition, we clarified the reason why PFAA easily bioconcentrate by the protein binding experiments and the docking simulations. Further, our results indicated that BCFs of PFAAs can be predicted by using protein binding constants as variables.

Academic Significance and Societal Importance of the Research Achievements

本研究では、生物濃縮の予測精度が低いペルフルオロアルキル酸化合物(PFAAs)を対象に、暴露実験、生化学実験、シミュレーションを行い、なぜPFAAsは濃縮しやすいのか、またどのような変数を用いると高精度に予測ができるかについて検討した。その結果、PFAAsは構造類似物質の脂肪酸等と比べてタンパクと強く結合し、また肝臓で代謝されないため体内に残留しやすいことが示された。さらに、タンパク結合定数を変数として用いることで多数のPFAAsの生物濃縮係数を高い精度で予測できることを示した。本研究の結果は、野生生物に対するPFAAsの暴露評価やリスク評価の精緻化に貢献すると考えられる。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (6 results)

All 2019 2018

All Presentation (6 results) (of which Int'l Joint Research: 2 results)

  • [Presentation] 魚類の生物濃縮係数における肝代謝の影響の評価2019

    • Author(s)
      中村亮輔,櫻井健郎,小林淳
    • Organizer
      第28回環境化学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 魚類の生物濃縮係数における肝代謝の影響の評価2019

    • Author(s)
      中村亮輔 ,櫻井健郎,小林淳
    • Organizer
      第28回環境化学討論会
    • Related Report
      2018 Research-status Report
  • [Presentation] Comparison of protein binding constants for perfluorinated compounds by in vitro and in silico approach2018

    • Author(s)
      Emi Morokuma, Takeo Sakurai, Jun Kobayashi
    • Organizer
      The 11th Society of Environmental Toxicology and Chemistry Asia Pacific 2018
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Comparison of metabolic rates for harmful chemicals in S9 of rainbow trout2018

    • Author(s)
      Ryosuke Nakamura, Kento Ikeda, Takeo Sakurai, Jun Kobayashi
    • Organizer
      The 11th Society of Environmental Toxicology and Chemistry Asia Pacific 2018
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] イオン性化合物の血漿タンパク結合に関する種間比較:有機フッ素化合物を例に2018

    • Author(s)
      諸熊恵美、櫻井健郎、小林淳
    • Organizer
      第 27 回環境化学討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] ニジマス肝S9による有害化学物質の代謝速度に関する検討2018

    • Author(s)
      中村亮輔、池田健登、櫻井健郎、小林淳
    • Organizer
      第 27 回環境化学討論会
    • Related Report
      2017 Research-status Report

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Published: 2017-04-28   Modified: 2021-02-19  

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