Design of fluorescence chemosensors for the optical detection of radioactive Cs-137 and Sr-90 ions

• Project/Area Number: 15K05580
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Green/Environmental chemistry
• Research Institution: Tohoku University
• Principal Investigator: Pichierri Fabio 東北大学, 工学研究科, 准教授 (40374920)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Project Status: Completed (Fiscal Year 2017)
• Budget Amount: ¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000); Fiscal Year 2017: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000); Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000); Fiscal Year 2015: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
• Keywords: センサー / モニタリング / 量子化学計算 / センサー モニタリング / センサー・モニタリング / 量子計算科学

Outline of Final Research Achievements

A new hybrid macrocycle for the optical detection of Cs-137 is designed. The macrocycle is made of cucurbituril (a molecule with the shape of a pumpkin) and naphthalene. This hybrid macrocycle can sense the presence of Cs+ ions when uv-vis radiation is used. Also, the fluorescence spectra of the hybrid macrocycle show a change in intensity when the Cs+ ion binds the carbonyl groups of the macrocycle. These results indicate that the designed chemosensor can be used for the detection of Cs-137 in contaminated soils and fluids.

Research Products

• [Journal Article] Theoretical study of the interaction between carbon-carbon triple bonds in cyclic dyines: a combined DFT and QTAIM approach (2017)
  • Author(s): Fabio Pichierri
  • Journal Title: Structural Chemistry Volume: 28 Issue: 5 Pages: 1479-1485
  • DOI: 10.1007/s11224-017-0985-0
  • Peer Reviewed
• [Journal Article] Substituent effects in cubane and hypercubane: a DFT and QTAIM study (2017)
  • Author(s): Fabio Pichierri
  • Journal Title: Theoretical Chemistry Accounts Volume: 136 Issue: 9
  • DOI: 10.1007/s00214-017-2144-5
  • Peer Reviewed
• [Journal Article] Molecular triskelions: structure and bonding in perhalogenated analogues of boric acid, X3BO3 (X=F,Cl,Br,I) (2017)
  • Author(s): Fabio Pichierri
  • Journal Title: Structural Chemistry Volume: 28 Issue: 1 Pages: 213-223
  • DOI: 10.1007/s11224-016-0835-5
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies (2017)
  • Author(s): Fabio Pichierri
  • Journal Title: Journal of Radioanalytical and Nuclear Chemistry Volume: 311 Issue: 2 Pages: 1251-1263
  • DOI: 10.1007/s10967-016-4968-1
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Computational design of soft materials for the capture of Cs-137 in contaminated environments: from 2D covalent cucurbituril networks to 3D supramolecular materials (2016)
  • Author(s): Fabio Pichierri
  • Journal Title: AIP Conference Proceedings Volume: 1763 Pages: 040002-040002
  • DOI: 10.1063/1.4961350
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Theoretical study of piezoelectrochemical reactions in molecular compression chambers: In-situ generation of molecular hydrogen (2016)
  • Author(s): Fabio Pichierri
  • Journal Title: Chemical Physics Letters Volume: 661 Pages: 125-130
  • DOI: 10.1016/j.cplett.2016.08.071
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Computational design of cucurbituril acene hybrids for the optical detection of cesium ions: DFT and TD-DFT studies (2016)
  • Author(s): Fabio Pichierri
  • Journal Title: Theoretical Chemistry Accounts Volume: 135 Issue: 3
  • DOI: 10.1007/s00214-016-1824-x
  • Peer Reviewed / Acknowledgement Compliant
• [Presentation] Cs(+)-pi interactions and the capture of environmental radiocesium (2017)
  • Author(s): Fabio Pichierri
  • Organizer: 43-rd Congress of Theoretical Chemists of Latin Expression (CHITEL 2017)
  • Invited
• [Presentation] Reticular solids with adamantane-type building blocks (2017)
  • Author(s): Fabio Pichierri
  • Organizer: Frontiers in Materials Science (FMS 2017)
  • Invited
• [Presentation] Cucurbituril macrocycles for the complexation of radiocesium in the contaminated environment (2016)
  • Author(s): Fabio Pichierri
  • Organizer: International Conference on Radioanalytical and Nuclear Chemistry
  • Place of Presentation: ブダペスト(ハンガリー)
  • Int'l Joint Research
• [Presentation] Unraveling the nature of Cs-pi interactions with the aid of quantum chemistry (2016)
  • Author(s): Fabio Pichierri
  • Organizer: ChemBond 2016
  • Place of Presentation: ドレスデン(ドイツ)
• [Presentation] Computational Design of Soft Materials for the Capture of Cs-137 (2015)
  • Author(s): Fabio Pichierri
  • Organizer: 2-nd International Symposium on Frontiers in Materials Science
  • Place of Presentation: 早稲田大学（東京）
  • Year and Date: 2015-11-21
  • Int'l Joint Research / Invited
• [Presentation] Tuning the Cucurbituril Macrocycle for Environmental Chemistry Applications (2015)
  • Author(s): Fabio Pichierri
  • Organizer: Congress of Theoretical Chemists of Latin Expression (CHITEL2015)
  • Place of Presentation: トリノ（イタリア）
  • Year and Date: 2015-07-29
  • Int'l Joint Research
• [Presentation] Beyond Balls and Sticks: Unraveling the Electronic Strucutre of Proteins with Semiempirical Quantum Chemistry Methods (2015)
  • Author(s): Fabio Pichierri
  • Organizer: 7th International Theoretical Biophysics Symposium
  • Place of Presentation: カリアリ（イタリア）
  • Year and Date: 2015-06-10
  • Int'l Joint Research / Invited