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Title
  • ja ガラクツロン酸への鉄(II)イオンの結合
Alternative
  • Binding of Iron(II) Ion to α-D-Galacturonic Acid
  • ガラツクロンサン エノ テツ (II) イオン ノ ケツゴウ
Creator
Subject
  • Other α-D-galacturonic acid
  • Other iron(II)
  • Other ab initio MO calculation
  • Other B3LYP method
  • Other geometry optimization
  • NDC 400
  • Other 自然科学
Description
  • Other Experiments and calculations were carried out in order to confirm Fe^<2+> complex formation by α-D-galacturonic acid. Measurement of Fe^<2+> ions in the supernatant of FeSO_4 solutions in the presence or in the absence of the acid, and gel permeation chromatography of the substances in the supernatant proved the binding of Fe^<2+> ions to the acid or its degradation products at pH 8.0. Ab initio MO calculations at the level of B3LYP/LANL2DZ showed that a conformation of α-D-galacturonate ion-Fe^<2+> complex formed through three coordinated bonds between a Fe^<2+> ion and three oxygen atoms, a carboxyl oxygen atom, the oxygen atom in pyranose ring and the hydoxyl oxygen atom attached to the carbon atom at position 4(C4) was the lowest energy one. The release of hydoxyl group at C4 and the cleavage of the carbon-oxygen bond of the carboxyl group coordinated to Fe^<2+> were considered to be probable as a result of the complex formation, because the change of bond distances and net atomic charges of α-D-galacturonate ion moiety due to the complex formation was very large at the related atoms on the calculations taking the electron correlation into consideration.
Publisher 鹿児島大学
Date
    Created2016-10-27 , Issued2003
Language
  • jpn
Resource Type departmental bulletin paper
Version Type VoR
Identifier URI http://hdl.handle.net/10232/1060
Journal
    • NCID AN00408518
    • ISSN 0389-6692
      • 鹿児島大学教育学部研究紀要. 自然科学編 = Bulletin of the Faculty of Education, Kagoshima University. Natural science
      • Volume Number54 Page Start61 Page End70
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Oaidate 2023-07-18