[80] Fullerene-Amino Acid Interactions: Theoretical Insights

被引：10

作者：

De Leon, Aned ^{[2
]}

Jalbout, Abraham F. ^{[1
]}

Basiuk, Vladimir A. ^{[2
]}

机构：

[1] Univ Nacl Autonoma Mexico, Inst Quim, Mexico City 04510, DF, Mexico

[2] Univ Nacl Autonoma Mexico, Inst Ciencias Nucl, Mexico City 04510, DF, Mexico

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 2010年 / 110卷 / 04期

关键词：

amino acids; C-80; fullerenes; DFT-BLYP; dissociation energies; POINT MUTATION MODELS; CARBON NANOTUBES; DNA; PROTEINS;

D O I：

10.1002/qua.21780

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

This work reports the interactions of a C-80 fullerene species with the 20 naturally occurring amino acids. As a result of the analysis Of Multiple configurations, we have determined that the most stable C-80 complexes form with thiol containing amino acids. The stabilities of the resulting complexes have been classified according to biochemical classifications that are used to develop trends among the calculated data. The computed trends in the dissociation energies are related to the backbone structure of the corresponding amino acids. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 110: 953-959, 2010

引用

页码：953 / 959

页数：7

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