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DEVELOPMENT OF HIGHLY EFFICIENT SEPARATION SYSTEM BY USING MOLECULAR AND ION RECOGNITION BY CALIXARENE COMPOUNDS

Research Project

Project/Area Number 09450293
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field 反応・分離工学
Research InstitutionSaga University

Principal Investigator

INOUE Katsutoshi  SAGA UNIVERSITY, DEPARTMENT OF APPLIED CHEMISTRY, PROFESSOR, 理工学部, 教授 (90039280)

Co-Investigator(Kenkyū-buntansha) OHTO Keisuke  SAGA UNIVERSITY, DEPARTMENT OF APPLIED CHEMISTRY, RESEARCH ASSOCIATE, 理工学部, 助手 (70243996)
YOSHIZUKA Kazuharu  SAGA UNIVERSITY, DEPARTMENT OF APPLIED CHEMISTRY, ASSOCIATE PROFESSOR, 理工学部, 助教授 (70191567)
Project Period (FY) 1997 – 1999
Project Status Completed (Fiscal Year 1999)
Budget Amount *help
¥14,300,000 (Direct Cost: ¥14,300,000)
Fiscal Year 1999: ¥2,300,000 (Direct Cost: ¥2,300,000)
Fiscal Year 1998: ¥4,000,000 (Direct Cost: ¥4,000,000)
Fiscal Year 1997: ¥8,000,000 (Direct Cost: ¥8,000,000)
Keywordscalixarene / ion recognition / computor chemistry / host-guest chemistry / metal ions / calixarene resin / lead ion / adsorption / ホスト-ゲスト化学 / カリックスアレーン化合物 / イオン、分子認識 / 定量的構造物性相関 / 希土類金属 / カテコールアミン / 鉛 / 溶媒抽出 / カルボン酸型カリックスアレーン / 4級アンモニウム型カリックスアレーン / 高脂溶性カリックスアレーン / 希土類元素
Research Abstract

p-tert-octylcalix[4] arene and its monomeric analogue were synthesized to examine and compare their extraction behaviors for various metal ions, especially for lead ion. Lead was selectively extracted over iron(III) with the the former while reverse was the case with the latter reagent. From various experimental result of the extraction of different metal ions, it was elucidated that two lead ions are extracted by unit molecule of calix[4]arene carboxylate, which was confirmed by chemical shifts of H-NMR spectra before and after the extraction of lead ion.
A molecular mechanics force field for lanthanoid complexes coordinated to organophosphates and calixarene compounds together with aqua ligands was presented. The ligand-metal-ligand (L-M-L) bending interaction are modeled with 1,3-nonbonded interaction and a harmonic M-L stretching potential was used for the stretching modes. There was good overall agreement between the observed and the calculated structural parameters. The calculatio … More ns also indicated that a quantitative structure property relationship (QSPR) may be obtained, which relates the complexation strain energy difference between the lanthanoid cations and La (III) with their relative extractability. Thus, molecular mechanics was found to be an efficient tool for the molecular design of organophosphorus and calixarene ligands with metal ion specific lanthanoid(III) extractability properties.
A basic investigation on solvent extraction of catecholamines such as dopamine, adrenaline and noradrenaline from dilute hydrochloric acid was conducted using D2EHPA in chloriform, hexane and toluene. The stoichiometric relationship and equilibrium constants of the extraction reactions were evaluated. The quantitative structure property relationship of the equilibrium constant for each organic diluent was discussed using molecular modeling with semi-emperical molecular orbital calculations taking account of the diluent effect.
New resin of calix[4]arenecarboxylate was synthesized from its monomeric units with no alkyl radicals by crosslinking using trioxane. High selectivity to lead and ferric ions were observed. The maximum adsorption capacity for lead was 2.44 mol/kg, which is nearly the same values of commercial chelating resins. Excellent mutual separation and concentration of lead away from zinc was achieved by using a column packed with this resin. Less

Report

(4 results)
  • 1999 Annual Research Report   Final Research Report Summary
  • 1998 Annual Research Report
  • 1997 Annual Research Report
  • Research Products

    (17 results)

All Other

All Publications (17 results)

  • [Publications] K.Ohto, Y.Fujimoto, K.Inoue: "Stepwise extraction of two lead ions with a single molecule of calix[4]arose tetracarboxylate"Anal. Chim. Acta. 387. 61-69 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] P.Comba, K.Gloe, K.Inoue, K.Yoshizuka et.al.: "Molecular mechanics calculations and the metal ion selective extraction of lanthanoids"Inorg. Chem.. 37. 3310-3315 (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Yoshizuka, Y.Fujimoto, K.Ohto, K.Inoue: "Solvent extraction and QSPR of cathecholamines with a bis(2-ethylhexyl)hydrogen phosphate"J. Chem. Eng. Japan. 22. 76-81 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] 吉塚和治、井上勝利、P.Comba: "分子力学法を用いたランタノイドイオンの抽出平衡の定量的構造物性相関"化学工学論文集. (印刷中). (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Yoshizuka, K.Inoue, K.Ohto et.al.: "Proceedings of International Soluvent extraction Conference 1999"QSPR of extractability trends of lanthanoid sertes using novel molecular mechanics calculations. 6 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Ohto, Y.Fujimoto, K.Inoue: "Stepwise extraction of two lead ions with a single molecule of calix[4]arene tetracarboxylate"Anal. Chim. Acta. 387. 61-69 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] P.Comba, K.Gloe, K.Inoue, K.Yoshizuka et al.: "Molecular mechanics calculations and the metal ion selective extraction of lanthanoids"Inorg. Chem.. 37. 3310-3315 (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Yoshizuka, Y.Fujimoto, K.Ohto, K.Inoue: "Solvent extraction and QSPR of cathecholamines with a bis(2-ethylhexyl)hydrogen phosphate"J. Chem. Eng. Japan. 22. 76-81 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Yoshizuka, K.Inoue, P.Comba: "Quantitative structure-property relationship of extraction equilibria of lanthanoid series using molecular mechanics calculations"Kagakukogaku Ronbunshu. (in press). (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Yoshizuka, K.Inoue, K.Ohto et al.: "QSPR of extractability trends of lanthanoid series using novel molecular mechanics calculations"Proceedings of International Solvent Extraction Conference. (in press). (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1999 Final Research Report Summary
  • [Publications] K.Yoshizuka,Y.Fujimoto,K.Ohto,K.Inoue: "Solvent extraction and QSPR of catecholamines with a bis(2-ethyl hexyl) hydrogen phosphate"J.Chem.Eng.Japan. 31巻1号. 76-81 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 吉塚和治、井上勝利、P.Comba: "分子力学法を用いたランタノイドイオンの抽出平衡の定量的構造物性相関"化学工学論文集. (印刷中).

    • Related Report
      1999 Annual Research Report
  • [Publications] K.Yoshizuka,K.Inoue,K.Ohto,K.Gloe,H.Stephan,T.Rombusch,P.Comba: "QSPR of extractability trends of lanthaxoid series using a novel molecular mechanics calculations"Proceedings of ISEC' 1999. 6 (2000)

    • Related Report
      1999 Annual Research Report
  • [Publications] K.Yoshizuka et al.: "Soluent extraction and QSPR of catecholamines with bio(2-ethylhexyl)hydrogen phoophate" J.Chemical Engineering of Japan. 32巻1号. 76-81 (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] P.Comba et al.: "Malecular mechanics zalculations and the metal ion selective extraction of lanthanotds" Inorganic Chemistry. 37巻13号. 3310-3315 (1998)

    • Related Report
      1998 Annual Research Report
  • [Publications] K.Ohto et al.: "Stepwise extraction of two leadions with a single malecule of calix〔4〕arene tetracarboxylic acid" Analytica Chimica Acta. 印刷中. (1999)

    • Related Report
      1998 Annual Research Report
  • [Publications] K.Yoshizuka et al.: "QSPR of extractability trends of lanthanaid series using a nonel malecular mechanics calculations" Proceedings of Intermationsl Salvent Extraction Conference. 印刷中. (1999)

    • Related Report
      1998 Annual Research Report

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Published: 1997-04-01   Modified: 2016-04-21  

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