Investigation of complex formation between hydroxyapatite and fragments of collagen by NMR spectroscopy and quantum-chemical modeling

被引：15
作者：
Aminova, R. M. [1 ]
Galiullina, L. F. [1 ]
Silkin, N. I. [1 ]
Ulmetov, A. R. [1 ]
Klochkov, V. V. [1 ]
Aganov, A. V. [1 ]
机构：
[1] Kazan Fed Univ, Inst Phys, Kazan 420008, Russia
来源：
JOURNAL OF MOLECULAR STRUCTURE | 2013年 / 1049卷
关键词：
Collagen; Hydroxyapatite; NMR; Quantum-chemical calculations; Density functional theory; SOLID-STATE NMR; SELF-ORGANIZATION MECHANISM; BONE; CARTILAGE; CALCIFICATION; INTERFACE; DYNAMICS; SPECTRA; AGENTS; WATER;
D O I：
10.1016/j.molstruc.2013.06.008
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：
The mechanisms of interaction of collagen and hydroxyapatite are of scientific and practical interest, but they are still not established clearly. Based on the results of experimental NMR investigations of the collagen and hydroxyapatite water suspensions it was shown that hydroxyapatite can form the intermolecular complexes with collagen fragments by the interaction of calcium ions with praline group. The results of DFT quantum-chemical calculations of electron and spatial structure of model compounds allowed us to confirm the hypothesis that calcium ion forms weak intermolecular bonds with the oxygen atoms of proline. (c) 2013 Elsevier B.V. All rights reserved.
引用
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页码：13 / 21
页数：9
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