Complexation and molecular modeling studies of europium(III)-gallic acid-amino acid complexes
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- 作者：Mohamed Taha ; Imran Khan ; Joã ; o A.P. Coutinho ; jcoutinho@ua.pt" class="auth_mail" title="E-mail the corresponding author
- 关键词：Eu(III) complexes ; Gallic acid ; Amino acids ; Stability constants ; COSMO-RS ; DFT
- 刊名：Journal of Inorganic Biochemistry
- 出版年：2016
- 出版时间：April 2016
- 年：2016
- 卷：157
- 期：Complete
- 页码：25-33
- 全文大小：1935 K
文摘
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The stability constants of Eu(III)–gallic acid complexes were determined.
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The antioxidant gallic acid has formed strong complexes with Eu(III) ion.
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The interaction of Eu–gallic acid complexes with some amino acids was studied.
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The pKa values of gallic acid and amino acids were predicted using COSMO-RS model.
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The geometries of Eu–gallic acid complexes were characterized by DFT.