Title |
|
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 |
|
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
|
File |
|
Oaidate |
2023-07-18 |