Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/112226
Title: Raman and XANES Spectroscopic Study of the Influence of Coordination Atomic and Molecular Environments in Biomimetic Composite Materials Integrated with Dental Tissue
Authors: Goloshchapov, D.
Buylov, N.
Emelyanova, A.
Ippolitov, I.
Ippolitov, Y.
Kashkarov, V.
Khudyakov, Y.
Nikitkov, K.
Seredin, P.
Issue Date: 2021
Publisher: MDPI
MDPI AG
Citation: Raman and XANES Spectroscopic Study of the Influence of Coordination Atomic and Molecular Environments in Biomimetic Composite Materials Integrated with Dental Tissue / D. Goloshchapov, N. Buylov, A. Emelyanova et al. // Nanomaterials. — 2021. — Vol. 11. — Iss. 11. — 3099.
Abstract: In this work, for the first time, the influence of the coordination environment as well as Ca and P atomic states on biomimetic composites integrated with dental tissue was investigated. Bioinspired dental composites were synthesised based on nanocrystalline calcium carbonate-substituted hydroxyap-atite (Formula presented) (nano-cHAp) obtained from a biogenic source and a set of po-lar amino acids that modelled the organic matrix. Biomimetic composites, as well as natural dental tissue samples, were investigated using Raman spectromicroscopy and synchrotron X-ray absorption near edge structure (XANES) spectroscopy. Molecular structure and energy structure studies revealed several important features related to the different calcium atomic environments. It was shown that biomimetic composites created in order to reproduce the physicochemical properties of dental tissue provide good imitation of molecular and electron energetic properties, including the carbonate anion CO32− and the atomic Ca/P ratio in nanocrystals. The features of the molecular structure of biomimetic composites are inherited from the nano-cHAp (to a greater extent) and the amino acid cocktail used for their creation, and are caused by the ratio between the mineral and organic components, which is similar to the composition of natural enamel and dentine. In this case, violation of the nano-cHAp stoichiometry, which is the mineral basis of the natural and bioinspired composites, as well as the inclusion of different molecular groups in the nano-cHAp lattice, do not affect the coordination environment of phosphorus atoms. The differences observed in the molecular and electron energetic structures of the natural enamel and dentine and the imitation of their properties by biomimetic materials are caused by rearrangement in the local environment of the calcium atoms in the HAp crystal lattice. The surface of the nano-cHAp crystals in the natural enamel and dentine involved in the formation of bonds with the organic matrix is character-ised by the coordination environment of the calcium atom, corresponding to its location in the CaI posi-tion—that is, bound through common oxygen atoms with PO4 tetrahedrons. At the same time, on the surface of nano-cHAp crystals in bioinspired dental materials, the calcium atom is characteristically lo-cated in the CaII position, bound to the hydroxyl OH group. The features detected in the atomic and molecular coordination environment in nano-cHAp play a fundamental role in recreating a biomimetic dental composite of the natural organomineral interaction in mineralised tissue and will help to find an optimal way to integrate the dental biocomposite with natural tissue. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.
Keywords: BIOMIMETIC DENTAL NANOCOMPOSITES
DENTINE
ENAMEL
MINERALISED TISSUE
RAMAN SPEC-TROMICROSCOPY
XANES
URI: http://hdl.handle.net/10995/112226
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85119061848
PURE ID: 28946963
ISSN: 2079-4991
metadata.dc.description.sponsorship: This work was supported by a grant from the Russian Science Foundation, grant number 21-75-10005; The access to scientific equipment and methodology was provided under support of the Ministry of Science and Higher Education of Russia, Agreement N 075-15-2021-1351.
RSCF project card: 21-75-10005
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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