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

Autor:	Vladimir V. Klochkov, R. M. Aminova, A.R. Ulmetov, N. I. Silkin, Albert V. Aganov, L. F. Galiullina
Rok vydání:	2013
Předmět:	Quantum chemical Chemistry Organic Chemistry Intermolecular force chemistry.chemical_element Electron Nuclear magnetic resonance spectroscopy Calcium Analytical Chemistry Ion Inorganic Chemistry Crystallography Organic chemistry Density functional theory Proline Spectroscopy
Zdroj:	Journal of Molecular Structure. 1049:13-21
ISSN:	0022-2860
DOI:	10.1016/j.molstruc.2013.06.008
Popis:	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 proline 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a5e40784d9d05b13defff00c7f09c56b https://doi.org/10.1016/j.molstruc.2013.06.008 Zobrazit plný text záznamu Full Text from ScienceDirect