Experimental and simulation studies of strontium/fluoride-codoped hydroxyapatite nanoparticles with osteogenic and antibacterial activities

Wang, Qun; Li, Pengfei; Tang, Pengfei; Ge, Xiang; Ren, Fuzeng; Zhao, Chong; Fang, Ju; Wang, Kefeng; Fang, Liming; Li, Yan; Bao, Chongyun; Li, Xiong; Duan, Ke

doi:10.1016/j.colsurfb.2019.110359

Cited by 46 publications

(30 citation statements)

References 48 publications

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“…For 50%Sr-HA models, 2Sr-Ca(1)-3Sr-Ca(2)-HA model was the most stable model owing to its lowest negative formation energy, which was consistent with the previous study [23] .…”

Section: Dft Resultssupporting

confidence: 91%

“…For 10% Sr-HA models, the lattice parameters a, b, and c of 1Sr-Ca(2)-HA and 1Sr-Ca(1)-HA models were larger than those of pure HA model. For 50% Sr-HA and 100% Sr-HA models, the results were roughly the same as that of the 10% Sr-HA model and in line with the previous studies [19,23] .…”

Section: Dft Resultssupporting

confidence: 90%

“…When the doping concentration is high up to 100%, it is more likely to form regular and large-size new grains, leading to crystallinity increase. The result was perfectly consistent with the previous report [23] . Wang et al [23] reported that the crystallinities of Sr-doped HA nanoparticles decreased steadily with increasing Sr content in the range from 10 mol% to 50 mol%.…”

Section: Analysis Of Xrd Patternssupporting

confidence: 94%

“…To determine the most stable Sr-doped HA models, the formation energies of different substitution models were calculated by the DFT method. The formation energy was evaluated by the following equation: [23] Eform=Edoped-HA-(EHA-niμCa+niμSr)…”

Section: Methodsmentioning

confidence: 99%

“…Wang et al [23] reported that the crystallinities of Sr-doped HA nanoparticles decreased steadily with increasing Sr content in the range from 10 mol% to 50 mol%. When Sr reached to 100 mol%, the crystallinity increased suddenly [23] . Fig.…”

Section: Analysis Of Xrd Patternsmentioning

confidence: 99%

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Strontium Doped Hydroxyapatite Nanoparticles: Synthesis, Characterization and Simulation

Zhou

Wang

et al. 2020

Journal of Inorganic Materials

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Strontium (Sr) doped hydroxyapatite (HA) has been widely used in diverse biological applications. In this work, hydrothermal synthesis method was used to prepare HA and Sr doped HA nanoparticles. A series of experimental methods and the simulation method based on density functional theory (DFT) were used to investigate the effect of Sr doping on chemical composition, crystallinity, lattice parameters, morphology, and formation energies of HA. The experimental results indicated that the lattice parameters and crystal size of Sr doped HA nanoparticles increased. The crystallinity of Sr doped HA nanoparticles did not change significantly with increasing the concentration of Sr ions. The lattice parameters obtained by the simulation method are in good agreement with the experimental results. The formation energies indicated that Sr ion doping can make the structure more stable. It also illustrated that the Ca(1) site was the preferential site for Sr doping at 10% and mixed doping was a more preferred doping mode at 50%.

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“…For 50%Sr-HA models, 2Sr-Ca(1)-3Sr-Ca(2)-HA model was the most stable model owing to its lowest negative formation energy, which was consistent with the previous study [23] .…”

Section: Dft Resultssupporting

confidence: 91%

Section: Dft Resultssupporting

confidence: 90%

Section: Analysis Of Xrd Patternssupporting

confidence: 94%

Section: Methodsmentioning

confidence: 99%

Section: Analysis Of Xrd Patternsmentioning

confidence: 99%

See 3 more Smart Citations

Strontium Doped Hydroxyapatite Nanoparticles: Synthesis, Characterization and Simulation

Zhou

Wang

et al. 2020

Journal of Inorganic Materials

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Structure and Surface Study of Hydroxyapatite‐Based Materials

Costentin

Drouet

Salles

et al. 2022

Design and Applications of Hydroxyapatite‐Based Catalysts

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In addition to designing catalytic materials ever more active and selective, the emergence of new classes of greener catalysts remains very challenging. The apatite family system with hydroxyapatite (HA) structure appears as a good candidate for catalysis due to its ecocompatibility properties, its sorption ability toward organic molecules, and its tunable composition resulting into modulation of its surface properties. Depending on their mode of preparation, these inexpensive and environment-friendly apatitic calcium phosphates exhibit properties of relevance to catalysis, such as large surface area and various morphologies.However, most studies focused so far on the catalytic performance of these compounds, while the study of structure-reactivity relationships required for rationalized optimization remains rather limited. This chapter aims at providing tools to help understand the catalytic behavior of apatite compounds, giving details about their structure, surface properties, and reactivity; this will include both stoichiometric and nonstoichiometric compounds, sometimes biomimetic and potentially substituted. A special attention is dedicated to recent advances in the characterization of their structural properties (bulk and surface/interphase) that have a strong impact on their reactivity, through both experimental and computational approaches to study the mechanisms occurring in the structure or at the crystals surface, as well as thermodynamic and dynamical properties. Remaining characterization challenges for apatite-based catalysts will also be discussed. 1.an influence on the charges carried by the cation and on the related strength of the Ca-O interaction [127], which results in different adsorption properties with guest molecules. To go further, quantum calculations coupled with NMR (Nuclear Magnetic Resonance) resultsshowed the impact of the presence of OHions on the migration of Ca 2+ as well as the rotation of PO4 3groups [128]. In the hydroxyapatite structure, phosphate ions PO4 3are the largest components of the structure. As such, they provide a primary backbone via 3D compact-like piling, generating interstitial sites for the other ions of the structure. Metal cations such as Ca 2+ occupy two types of crystallographic sites, denoted Ca1 (4 sites per unit formula) and Ca2 (6 sites per unit formula), see Figure 2. Ca1 sites are localized along the trigonal axis with the coordinates (1/4, 3/4, 1/2) and (3/4, 1/4, 1/2), forming linear columns along the c-axis. Ca2 sites in contrast form equilateral triangles at z = 1/4 and z = 3/4 on the sixfold screw (senary) 63 axes. Adjacent Ca1 and Ca2 sites are linked through shared oxygen atoms from PO4 tetrahedra. Ca1 sites generate (distorted) polyhedra where the metal ion is in ninefold coordination, while in Ca2 sites it is in sevenfold coordination.The Ca2 triangles contribute to delimit so-called "apatitic channels" where ions such as OHare axially located (Figure 3) [116,120]. In calcium hydroxyapatite, the Ca2 triangular sites correspond to the narrow...

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Polyelectrolyte‐Cation Complexes Using PAsp‐Sr Complexes Induce Biomimetic Mineralization with Antibacterial Ability

Xu,

Shen,

Zhou

et al. 2023

Adv Healthcare Materials

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Remineralized dentin with an antibacterial ability is still a significant challenge in dentistry. Previously, a polyelectrolyte‐calcium complexes pre‐precursor (PCCP) process is proposed for rapid collagen mineralization. In the present study, the expansion concept of the PCCP process is explored by replacing the calcium with other cations, such as strontium. The results of transmission electron microscopy (TEM), 3D stochastic optical reconstruction microscopy, energy‐dispersive X‐ray analysis, Fourier transform infrared spectroscopy, and high‐resolution TEM with selected area electron diffraction demonstrate that biomimetic mineralization of collagen fibrils and demineralized dentin could be fulfilled with Sr&F‐codoped hydroxyapatite (HAp) after they are treated with poly‐aspartic acid‐strontium (PAsp‐Sr) suspension followed by a phosphate&fluoride solution. Moreover, dentin remineralized with Sr&F‐codoped HAp exhibits in vitro and in vivo antibacterial ability against Streptococcus mutans. The cytotoxicity and oral mucosa irritation tests reveal excellent biocompatibility of mineralization mediums (PAsp‐Sr suspension and phosphate&fluoride solution). The demineralized dentin's mechanical properties (elastic modulus and microhardness) could be restored almost to that of the intact dentin. Hence, the expansion concept of the PCCP process that replaces calcium ions with some cationic ions along with fluorine opens up new horizons for generating antibacterial remineralized dentin containing ions‐doped HAp with excellent biocompatibility via biomimetic mineralization technology.

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Experimental and simulation studies of strontium/fluoride-codoped hydroxyapatite nanoparticles with osteogenic and antibacterial activities

Cited by 46 publications

References 48 publications

Strontium Doped Hydroxyapatite Nanoparticles: Synthesis, Characterization and Simulation

Strontium Doped Hydroxyapatite Nanoparticles: Synthesis, Characterization and Simulation

Structure and Surface Study of Hydroxyapatite‐Based Materials

Polyelectrolyte‐Cation Complexes Using PAsp‐Sr Complexes Induce Biomimetic Mineralization with Antibacterial Ability

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