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Mat. Biolog. Bioinform., 2009, Volume 4, Issue 2, Pages 7–11 (Mi mbb43)  

This article is cited in 5 scientific papers (total in 5 papers)

Mathematical Modeling

Interaction of charged hydroxyapatite and living cells. I. Hydroxyapatite polarization properties

V. S. Bystrovab, N. K. Bystrovaac, E. V. Paramonovaa, Yu. D. Dekhtyard

a Institute of Mathematical Problems of Biology, Russian Academy of Sciences
b Department of Ceramics and Glass Engineering \&\ CICECO, University of Aveiro, Portugal
c Institute for Theoretical and Experimental Biophysics, Pushchino, Russia
d Biomedical Engineering and Nanotechnology Institute, Riga Technical University, Riga, Latvia

Abstract: The most principal methods of studying hydroxyapatite (HAP) nanostructures and proton transfer peculiarities, its polarization properties are presented in this paper. HAP is one of the most widely used materials in medicine and biotechnology. The interaction between HAP biomaterials and living cells is improved, if the HAP surface is charged. The charge is inducible on HAP ceramics by the proton transport along the OH chains in columnar channels. These chains are formed by OH ions along c-axis and are surrounded by calcium triangles. The paper presents ab initio quantum-chemical calculations (with Gaussian98 code, HF, 6-31G(d)), which clarify the double-well asymmetric potential energy profile and were held to investigate the energy barriers for proton transport along the columnar channel. The calculated values of barriers can explain long storage of polarization charge, which is observed in experiments. The value of applied electric field could switch asymmetry of double-wall potential and made the proton transfer possible is of the order of $10^9$ V/m, but proton tunneling is possible at $10^6$ V/m. The estimated value of HAP surface polarization $\sim0.1$C/m$^2$ influences movement of living cells and leads to their adhesion on the charged HAP surface.

Key words: hydroxyapatite, proton transfer, electrical properties, surface properties.

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UDC: 530.1:537.226.33:541.1:577.3
Received 25.08.2009, Published 02.10.2009

Citation: V. S. Bystrov, N. K. Bystrova, E. V. Paramonova, Yu. D. Dekhtyar, “Interaction of charged hydroxyapatite and living cells. I. Hydroxyapatite polarization properties”, Mat. Biolog. Bioinform., 4:2 (2009), 7–11

Citation in format AMSBIB
\by V.~S.~Bystrov, N.~K.~Bystrova, E.~V.~Paramonova, Yu.~D.~Dekhtyar
\paper Interaction of charged hydroxyapatite and living cells. I.~Hydroxyapatite polarization properties
\jour Mat. Biolog. Bioinform.
\yr 2009
\vol 4
\issue 2
\pages 7--11

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    This publication is cited in the following articles:
    1. Bystrov V.S., Paramonova E., Dekhtyar Yu., Katashev A., Karlov A., Polyaka N., Bystrova A.V., Patmalnieks A., Kholkin A.L., “Computational and experimental studies of size and shape related physical properties of hydroxyapatite nanoparticles”, Journal of Physics: Condensed Matter, 23:6 (2011), 065302, 10 pp.  crossref  adsnasa  isi  scopus
    2. Bystrov V.S., Paramonova E.V., Dekhtyar Yu., Pullar R.C., Katashev A., Polyaka N., Bystrova A.V., Sapronova A.V., Fridkin V.M., Kliem H., Kholkin A.L., “Polarization of Poly(Vinylidene Fluoride) and Poly(Vinylidene Fluoride-Trifluoroethylene) Thin Films Revealed by Emission Spectroscopy with Computational Simulation During Phase Transition”, J. Appl. Phys., 111:10 (2012), 104113  crossref  adsnasa  isi  elib  scopus
    3. Bystrov V.S., Coutinho J., Bystrova A.V., Dekhtyar Yu.D., Pullar R.C., Poronin A., Palcevskis E., Dindune A., Alkan B., Durucan C., Paramonova E.V., “Computational Study of Hydroxyapatite Structures, Properties and Defects”, J. Phys. D-Appl. Phys., 48:19 (2015), 195302  crossref  isi  elib  scopus
    4. Bystrova A.V., Dekhtyar Yu.D., Popov A.I., Coutinho J., Bystrov V.S., “Modified Hydroxyapatite Structure and Properties: Modeling and Synchrotron Data Analysis of Modified Hydroxyapatite Structure”, Ferroelectrics, 475:1, SI (2015), 135–147  crossref  isi  elib  scopus
    5. Bystrov V., Bystrova A., Dekhtyar Yu., “Hap Nanoparticle and Substrate Surface Electrical Potential Towards Bone Cells Adhesion: Recent Results Review”, Adv. Colloid Interface Sci., 249 (2017), 213–219  crossref  isi  scopus
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