Understanding the composition-structure-bioactivity relationships in diopside (CaO·MgO·2SiO2)-tricalcium phosphate (3CaO·P2O5) glass system

Saurabh Kapoor, Ângela Semitela, Ashutosh Goel, Ye Xiang, Jincheng Du, Ana H. Lourenço, Daniela M. Sousa, Pedro L. Granja, José M.F. Ferreira

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

The present work is an amalgamation of computation and experimental approach to gain an insight into composition-structure-bioactivity relationships of alkali-free bioactive glasses in the CaO-MgO-SiO2-P2O5 system. The glasses have been designed in the diopside (CaO·MgO·2SiO2; Di)-tricalcium phosphate (3CaO·P2O5; TCP) binary join by varying the Di/TCP ratio. The melt-quenched glasses have been investigated for their structure by molecular dynamic (MD) simulations as well as by nuclear magnetic resonance spectroscopy (NMR). In all the investigated glasses silicate and phosphate components are dominated by Q2 (Si) and Q0 (P) species, respectively. The apatite forming ability of the glasses was investigated using X-ray diffraction (XRD), infrared spectroscopy after immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1 h and 14 days, while their chemical degradation has been studied in Tris-HCl in accordance with ISO 10993-14. All the investigated glasses showed good bioactivity without any substantial variation. A significant statistical increase in metabolic activity of human mesenchymal stem cells (hMSCs) when compared to the control was observed for Di-60 and Di-70 glass compositions under both basal and osteogenic conditions.

Original languageEnglish (US)
Pages (from-to)210-226
Number of pages17
JournalActa Biomaterialia
Volume15
DOIs
StatePublished - Mar 15 2015

Fingerprint

Bioactivity
Glass
Phosphates
Chemical analysis
phosphorus pentoxide
Silicates
Apatites
Bioactive glass
Body fluids
Apatite
Alkalies
Body Fluids
Immersion
Molecular Dynamics Simulation
tricalcium phosphate
diopside
Stem cells
Mesenchymal Stromal Cells
Human Activities
X-Ray Diffraction

All Science Journal Classification (ASJC) codes

  • Molecular Biology
  • Biochemistry
  • Biotechnology
  • Biomedical Engineering
  • Biomaterials

Keywords

  • Bioactive glasses
  • Diopside
  • Molecular dynamics simulation
  • Structure
  • Tricalcium phosphate

Cite this

Kapoor, Saurabh ; Semitela, Ângela ; Goel, Ashutosh ; Xiang, Ye ; Du, Jincheng ; Lourenço, Ana H. ; Sousa, Daniela M. ; Granja, Pedro L. ; Ferreira, José M.F. / Understanding the composition-structure-bioactivity relationships in diopside (CaO·MgO·2SiO2)-tricalcium phosphate (3CaO·P2O5) glass system. In: Acta Biomaterialia. 2015 ; Vol. 15. pp. 210-226.
@article{cdf5762a4db84e28b4fde17043d77dfb,
title = "Understanding the composition-structure-bioactivity relationships in diopside (CaO·MgO·2SiO2)-tricalcium phosphate (3CaO·P2O5) glass system",
abstract = "The present work is an amalgamation of computation and experimental approach to gain an insight into composition-structure-bioactivity relationships of alkali-free bioactive glasses in the CaO-MgO-SiO2-P2O5 system. The glasses have been designed in the diopside (CaO·MgO·2SiO2; Di)-tricalcium phosphate (3CaO·P2O5; TCP) binary join by varying the Di/TCP ratio. The melt-quenched glasses have been investigated for their structure by molecular dynamic (MD) simulations as well as by nuclear magnetic resonance spectroscopy (NMR). In all the investigated glasses silicate and phosphate components are dominated by Q2 (Si) and Q0 (P) species, respectively. The apatite forming ability of the glasses was investigated using X-ray diffraction (XRD), infrared spectroscopy after immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1 h and 14 days, while their chemical degradation has been studied in Tris-HCl in accordance with ISO 10993-14. All the investigated glasses showed good bioactivity without any substantial variation. A significant statistical increase in metabolic activity of human mesenchymal stem cells (hMSCs) when compared to the control was observed for Di-60 and Di-70 glass compositions under both basal and osteogenic conditions.",
keywords = "Bioactive glasses, Diopside, Molecular dynamics simulation, Structure, Tricalcium phosphate",
author = "Saurabh Kapoor and {\^A}ngela Semitela and Ashutosh Goel and Ye Xiang and Jincheng Du and Louren{\cc}o, {Ana H.} and Sousa, {Daniela M.} and Granja, {Pedro L.} and Ferreira, {Jos{\'e} M.F.}",
year = "2015",
month = "3",
day = "15",
doi = "https://doi.org/10.1016/j.actbio.2015.01.001",
language = "English (US)",
volume = "15",
pages = "210--226",
journal = "Acta Biomaterialia",
issn = "1742-7061",
publisher = "Elsevier BV",

}

Understanding the composition-structure-bioactivity relationships in diopside (CaO·MgO·2SiO2)-tricalcium phosphate (3CaO·P2O5) glass system. / Kapoor, Saurabh; Semitela, Ângela; Goel, Ashutosh; Xiang, Ye; Du, Jincheng; Lourenço, Ana H.; Sousa, Daniela M.; Granja, Pedro L.; Ferreira, José M.F.

In: Acta Biomaterialia, Vol. 15, 15.03.2015, p. 210-226.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Understanding the composition-structure-bioactivity relationships in diopside (CaO·MgO·2SiO2)-tricalcium phosphate (3CaO·P2O5) glass system

AU - Kapoor, Saurabh

AU - Semitela, Ângela

AU - Goel, Ashutosh

AU - Xiang, Ye

AU - Du, Jincheng

AU - Lourenço, Ana H.

AU - Sousa, Daniela M.

AU - Granja, Pedro L.

AU - Ferreira, José M.F.

PY - 2015/3/15

Y1 - 2015/3/15

N2 - The present work is an amalgamation of computation and experimental approach to gain an insight into composition-structure-bioactivity relationships of alkali-free bioactive glasses in the CaO-MgO-SiO2-P2O5 system. The glasses have been designed in the diopside (CaO·MgO·2SiO2; Di)-tricalcium phosphate (3CaO·P2O5; TCP) binary join by varying the Di/TCP ratio. The melt-quenched glasses have been investigated for their structure by molecular dynamic (MD) simulations as well as by nuclear magnetic resonance spectroscopy (NMR). In all the investigated glasses silicate and phosphate components are dominated by Q2 (Si) and Q0 (P) species, respectively. The apatite forming ability of the glasses was investigated using X-ray diffraction (XRD), infrared spectroscopy after immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1 h and 14 days, while their chemical degradation has been studied in Tris-HCl in accordance with ISO 10993-14. All the investigated glasses showed good bioactivity without any substantial variation. A significant statistical increase in metabolic activity of human mesenchymal stem cells (hMSCs) when compared to the control was observed for Di-60 and Di-70 glass compositions under both basal and osteogenic conditions.

AB - The present work is an amalgamation of computation and experimental approach to gain an insight into composition-structure-bioactivity relationships of alkali-free bioactive glasses in the CaO-MgO-SiO2-P2O5 system. The glasses have been designed in the diopside (CaO·MgO·2SiO2; Di)-tricalcium phosphate (3CaO·P2O5; TCP) binary join by varying the Di/TCP ratio. The melt-quenched glasses have been investigated for their structure by molecular dynamic (MD) simulations as well as by nuclear magnetic resonance spectroscopy (NMR). In all the investigated glasses silicate and phosphate components are dominated by Q2 (Si) and Q0 (P) species, respectively. The apatite forming ability of the glasses was investigated using X-ray diffraction (XRD), infrared spectroscopy after immersion of glass powders in simulated body fluid (SBF) for time durations varying between 1 h and 14 days, while their chemical degradation has been studied in Tris-HCl in accordance with ISO 10993-14. All the investigated glasses showed good bioactivity without any substantial variation. A significant statistical increase in metabolic activity of human mesenchymal stem cells (hMSCs) when compared to the control was observed for Di-60 and Di-70 glass compositions under both basal and osteogenic conditions.

KW - Bioactive glasses

KW - Diopside

KW - Molecular dynamics simulation

KW - Structure

KW - Tricalcium phosphate

UR - http://www.scopus.com/inward/record.url?scp=84922677729&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84922677729&partnerID=8YFLogxK

U2 - https://doi.org/10.1016/j.actbio.2015.01.001

DO - https://doi.org/10.1016/j.actbio.2015.01.001

M3 - Article

C2 - 25578990

VL - 15

SP - 210

EP - 226

JO - Acta Biomaterialia

JF - Acta Biomaterialia

SN - 1742-7061

ER -