The effect of the incorporation of catalase mimetic activity cations on the structural, thermal and chemical durability properties of the 45S5 Bioglass®

Malavasi, Gianluca; Pedone, Alfonso

doi:10.1016/j.actamat.2022.117801

Cited by 8 publications

(6 citation statements)

References 110 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In this work, the BMP force-field 36,37 (from author surnames Bertani-Menziani-Pedone), a potential recently developed by some of us as the evolution of the PMMCS 38,39 (Pedone-Malavasi-Menziani-Cormack-Segre) one, has been extended to multicomponent borate and borosilicate glasses.…”

Section: Introductionmentioning

confidence: 99%

A new self‐consistent empirical potential model for multicomponent borate and borosilicate glasses

et al. 2022

Self Cite

View full text Add to dashboard Cite

A new self-consistent empirical potential model based on the BMP potential [Bertani et al., Phys. Rev. Mat. 5 (2021) 045602] has been developed for the simulation of multicomponent borate and borosilicate glasses. We exploited the Bayesian optimization approach to create a set of parameters for the B-O interaction, which depends on the glass composition, and in particular on thealkaline and AE alkaline-earth ions) and K = [SiO 2 ]/[B 2 O 3 ] ratios. The obtained force field (FF) has been applied to several borate and borosilicate glass series containing, as modifier oxide, Na 2 O, Li 2 O, CaO, and MgO and tested on experimental data, such as the fraction of BO 4 (N 4 ), density, non-bridging oxygen speciation, neutron diffraction spectra, 11 B, 29 Si, and 17 O magic angle spinning nuclear magnetic resonance. A comparison with other interatomic potentials available in literature has also been performed. The results show that the FF reproduces well almost all the abovementioned properties, showing excellent agreement with experimental data in a wide range of compositions.

show abstract

Section: Introductionmentioning

confidence: 99%

A new self‐consistent empirical potential model for multicomponent borate and borosilicate glasses

et al. 2022

Self Cite

View full text Add to dashboard Cite

show abstract

“…It also offers valuable guidance for designing innovative bioactive glass compositions with specific properties and controlled crystallization for particular applications. 81,82…”

Section: Controlled Crystallizationmentioning

confidence: 99%

“…Such studies provide a more profound comprehension of the relationship between structure and properties in bioactive glasses. It also offers valuable guidance for designing innovative bioactive glass compositions with specific properties and controlled crystallization for particular applications 81,82 …”

Section: Controlled Crystallizationmentioning

confidence: 99%

Perspectives on the impact of crystallization in bioactive glasses and glass‐ceramics

Montazerian,

Shearer,

Mauro

2023

Int J Ceramic Engine & Sci

View full text Add to dashboard Cite

Both unwanted and induced crystallization can impact bioactivity, physical and mechanical properties of bioactive glasses (BGs). Uncontrolled crystallization has negative consequences, rendering BGs unreliable. However, by manipulating the type, size, shape, and quantity of crystals in BGs, plenty of opportunities arise for controlling, for example, mechanical properties and degradability, leading to unique applications and improved performance. Understanding crystallization is a key step in developing bioactive glasses and glass‐ceramics (BGCs), and both fundamental and experimental research can aid in the design of BGCs for processing and biological function. In this perspective, we discuss the sources of crystallization and how controlled crystallization facilitates the functionalization of bioactive scaffolds, hybrids, coatings, composites, cements, and fibers.

show abstract

“…The availability of accurate empirical potential makes the MDS more useful. Therefore, the classical MDS is getting more and more widely applied in material research [56][57][58][59][60][61][62][63][64][65][66][67][68].…”

Section: Introductionmentioning

confidence: 99%

Computer simulation of phosphate-silicate and calcium phosphate-silicate systems

et al. 2023

View full text Add to dashboard Cite

The structure of P2O5-SiO2 and CaO-P2O5-SiO2 systems have been systematically investigated by molecular dynamics simulation. The structural characteristics were clarified with intuitive figures and images at atomic scale. Specially, we have applied the recognition and visualization methods to clarify short range order, intermediate range order, and network structure. The structural and compositional heterogeneities and mechanism of alkaline earth metals incorporation into -O-P-O-Si-O- network have been discussed in detail. This is useful information for designing bioactive systems with many potential applications.

show abstract

The effect of the incorporation of catalase mimetic activity cations on the structural, thermal and chemical durability properties of the 45S5 Bioglass®

Cited by 8 publications

References 110 publications

A new self‐consistent empirical potential model for multicomponent borate and borosilicate glasses

A new self‐consistent empirical potential model for multicomponent borate and borosilicate glasses

Perspectives on the impact of crystallization in bioactive glasses and glass‐ceramics

Computer simulation of phosphate-silicate and calcium phosphate-silicate systems

Contact Info

Product

Resources

About