Understanding the effect of the incorporation of doping ions into the structure, thermal properties and chemical durability of bioactive glasses is fundamental for the design of new compositions with tailored biological functions and applications. In this work, we have applied a combined experimental and computational approach to unravel the effect of adding metal oxides of Ce, Ti, V, Mn, Fe, Co, Cu, and Zr that impart catalase mimetic activity to the 45S5 Bioglass® on its density, thermal properties and chemical durability. UV-Vis-NIR spectroscopy and temperature-programmed reduction (TPR) experiments allowed us to determine the oxidation states of the doping cations in the bulk of the glasses, Differential Thermal Analysis has been used to determine the glass transition and crystallization temperature, whereas the chemical durability in water was determined by following the hydrolytic resistance of glass grains at 98 °C standard method. The experimental results have been interpreted at the atomic level by exploiting reliable bulk and surface structural models of the investigated glasses generated by using Molecular Dynamics Simulations. Structure-property relationships helpful for the rational design of new glass compositions have also been inferred.

The effect of the incorporation of catalase mimetic activity cations on the structural, thermal and chemical durability properties of the 45S5 Bioglass® / Malavasi, G.; Pedone, A.. - In: ACTA MATERIALIA. - ISSN 1359-6454. - 229:(2022), pp. 117801-117801. [10.1016/j.actamat.2022.117801]

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

Malavasi G.;Pedone A.
2022

Abstract

Understanding the effect of the incorporation of doping ions into the structure, thermal properties and chemical durability of bioactive glasses is fundamental for the design of new compositions with tailored biological functions and applications. In this work, we have applied a combined experimental and computational approach to unravel the effect of adding metal oxides of Ce, Ti, V, Mn, Fe, Co, Cu, and Zr that impart catalase mimetic activity to the 45S5 Bioglass® on its density, thermal properties and chemical durability. UV-Vis-NIR spectroscopy and temperature-programmed reduction (TPR) experiments allowed us to determine the oxidation states of the doping cations in the bulk of the glasses, Differential Thermal Analysis has been used to determine the glass transition and crystallization temperature, whereas the chemical durability in water was determined by following the hydrolytic resistance of glass grains at 98 °C standard method. The experimental results have been interpreted at the atomic level by exploiting reliable bulk and surface structural models of the investigated glasses generated by using Molecular Dynamics Simulations. Structure-property relationships helpful for the rational design of new glass compositions have also been inferred.
2022
229
117801
117801
The effect of the incorporation of catalase mimetic activity cations on the structural, thermal and chemical durability properties of the 45S5 Bioglass® / Malavasi, G.; Pedone, A.. - In: ACTA MATERIALIA. - ISSN 1359-6454. - 229:(2022), pp. 117801-117801. [10.1016/j.actamat.2022.117801]
Malavasi, G.; Pedone, A.
File in questo prodotto:
File Dimensione Formato  
1-s2.0-S1359645422001884-main.pdf

Accesso riservato

Tipologia: Versione pubblicata dall'editore
Dimensione 4.22 MB
Formato Adobe PDF
4.22 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
Pubblicazioni consigliate

Licenza Creative Commons
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11380/1271634
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 8
  • ???jsp.display-item.citation.isi??? 7
social impact