Structural and Dynamical Effects of the CaO/SrO Substitution in Bioactive Glasses Article Swipe
Margit Fábián
,
M. Krzystyniak
,
Atul Khanna
,
Zsolt Kovács
·
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.3390/molecules29194720
YOU?
·
· 2024
· Open Access
·
· DOI: https://doi.org/10.3390/molecules29194720
Silicate glasses containing silicon, sodium, phosphorous, and calcium have the ability to promote bone regeneration and biodegrade as new tissue is generated. Recently, it has been suggested that adding SrO can benefit tissue growth and silicate glass dissolution. Motivated by these recent developments, the effect of SrO/CaO–CaO/SrO substitution on the local structure and dynamics of Si-Na-P-Ca-O oxide glasses has been studied in this work. Differential thermal analysis has been performed to determine the thermal stability of the glasses after the addition of strontium. The local structure has been studied by neutron diffraction augmented by Reverse Monte Carlo simulation, and the local dynamics by neutron Compton scattering and Raman spectroscopy. Differential thermal analysis has shown that SrO-containing glasses have lower glass transition, melting, and crystallisation temperatures. Moreover, the addition of the Sr2+ ions decreased the thermal stability of the glass structure. The total neutron diffraction augmented by the RMC simulation revealed that Sr played a similar role as Ca in the glass structure when substituted on a molar basis. The bond length and the coordination number distributions of the network modifiers and network formers did not change when SrO (x = 0.125, 0.25) was substituted for CaO (25-x). However, the network connectivity increased in glass with 12.5 mol% CaO due to the increased length of the Si-O-Si interconnected chain. The analysis of Raman spectra revealed that substituting CaO with SrO in the glass structure dramatically enhances the intensity of the high-frequency band of 1110–2000 cm−1. For all glasses under investigation, the changes in the relative intensities of Raman bands and the distributions of the bond lengths and coordination numbers upon the SrO substitution were correlated with the values of the widths of nuclear momentum distributions of Si, Na, P, Ca, O, and Sr. The widths of nuclear momentum distributions were observed to soften compared to the values observed and simulated in their parent metal-oxide crystals. The widths of nuclear momentum distributions, obtained from fitting the experimental data to neutron Compton spectra, were related to the amount of disorder of effective force constants acting on individual atomic species in the glasses.
Related Topics
Concepts
Reverse Monte Carlo
Neutron diffraction
Glass transition
Raman spectroscopy
Materials science
Strontium
Calcium silicate
Thermal stability
Crystallization
Coordination number
Differential thermal analysis
Analytical Chemistry (journal)
Ion
Crystallography
Diffraction
Chemical engineering
Chemistry
Crystal structure
Polymer
Optics
Composite material
Physics
Organic chemistry
Chromatography
Engineering
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3390/molecules29194720
- OA Status
- gold
- Cited By
- 1
- References
- 52
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4403192917
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W4403192917Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.3390/molecules29194720Digital Object Identifier
- Title
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Structural and Dynamical Effects of the CaO/SrO Substitution in Bioactive GlassesWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2024Year of publication
- Publication date
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2024-10-05Full publication date if available
- Authors
-
Margit Fábián, M. Krzystyniak, Atul Khanna, Zsolt KovácsList of authors in order
- Landing page
-
https://doi.org/10.3390/molecules29194720Publisher landing page
- Open access
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YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
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https://doi.org/10.3390/molecules29194720Direct OA link when available
- Concepts
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Reverse Monte Carlo, Neutron diffraction, Glass transition, Raman spectroscopy, Materials science, Strontium, Calcium silicate, Thermal stability, Crystallization, Coordination number, Differential thermal analysis, Analytical Chemistry (journal), Ion, Crystallography, Diffraction, Chemical engineering, Chemistry, Crystal structure, Polymer, Optics, Composite material, Physics, Organic chemistry, Chromatography, EngineeringTop concepts (fields/topics) attached by OpenAlex
- Cited by
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1Total citation count in OpenAlex
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2025: 1Per-year citation counts (last 5 years)
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10Other works algorithmically related by OpenAlex
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