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
收藏
页码：13 / 21
页数：9
相关论文
共 56 条
  • [1] Solid-state NMR studies of collagen-based parchments and gelatin
    Aliev, AE
    [J]. BIOPOLYMERS, 2005, 77 (04) : 230 - 245
  • [2] A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials
    Alkorta, Ibon
    Sanchez-Sanz, Goar
    Trujillo, Cristina
    Elguero, Jose
    Claramunt, Rosa M.
    [J]. ARKIVOC, 2012, : 85 - 106
  • [3] Aminova R.M., 2012, PHYS MATH SER, V154, P5
  • [4] Calculation of the structure and nuclear magnetic shielding constants of some H-bonded carbon acid complexes
    Aminova, RM
    Schamov, GA
    Aganov, AV
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 498 : 233 - 246
  • [5] Prediction of the 1H and 13C NMR spectra of α-D-glucose in water by DFT methods and MD Simulations
    Bagno, Alessandro
    Rastrelli, Federico
    Saielli, Giacomo
    [J]. JOURNAL OF ORGANIC CHEMISTRY, 2007, 72 (19) : 7373 - 7381
  • [6] EVIDENCE THAT THE DEATH OF MACROPHAGE FOAM CELLS CONTRIBUTES TO THE LIPID CORE OF ATHEROMA
    BALL, RY
    STOWERS, EC
    BURTON, JH
    CARY, NRB
    SKEPPER, JN
    MITCHINSON, MJ
    [J]. ATHEROSCLEROSIS, 1995, 114 (01) : 45 - 54
  • [7] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE
    BECKE, AD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) : 5648 - 5652
  • [8] COLLAGEN TYPE-I AND TYPE-III, COLLAGEN CONTENT, GAGS AND MECHANICAL STRENGTH OF HUMAN ATHEROSCLEROTIC PLAQUE CAPS - SPAN-WISE VARIATIONS
    BURLEIGH, MC
    BRIGGS, AD
    LENDON, CL
    DAVIES, MJ
    BORN, GVR
    RICHARDSON, PD
    [J]. ATHEROSCLEROSIS, 1992, 96 (01) : 71 - 81
  • [9] XPS study for the microstructure development of hydroxyapatite-collagen nanocomposites cross-linked using glutaraldehyde
    Chang, MC
    Tanaka, J
    [J]. BIOMATERIALS, 2002, 23 (18) : 3879 - 3885
  • [10] Cho G., 2002, P INT SOC MED, V10
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