Dynamical descriptors of bioactivity: a correlation between chemical durability and ion migration in biodegradable glasses

Literature Information

Publication Date 2017-02-21
DOI 10.1039/C6CP07203H
Impact Factor 3.676
Authors


View Original

Abstract

Ion migration in two fluorinated bioactive glasses of significantly different durability was modeled through molecular dynamics simulations. Whereas the very different biodegradation of these glasses cannot be explained on the basis of their structural features alone, the analysis of the diffusive data highlights a strong connection between the glass durability determined experimentally and the activation barriers for ion diffusion extracted by the simulations, clarifying the source of the different solubility and suggesting that “dynamical” descriptors of bioactivity could represent a key tool to predict the macroscopic behavior of a biomaterial, in some cases more effectively than with the current structural descriptors.

Related Literature

A time-resolved photoelectron imaging study on isolated tolane: observation of the biradicalic 1Au state

Marco Flock, Lea Bosse, Dustin Kaiser, Bernd Engels, Ingo Fischer

2019-06-03 Paper

DOI: 10.1039/C9CP02222H

Chemical equilibria of aqueous ammonium–carboxylate systems in aqueous bulk, close to and at the water–air interface

Yina Salamanca Blanco, Önder Topel, Éva G. Bajnóczi, Olle Björneholm, Ingmar Persson

2019-05-22 Paper

DOI: 10.1039/C9CP02449B

Chemical pressure–chemical knowledge: squeezing bonds and lone pairs within the valence shell electron pair repulsion model

A. Lobato, H. H. Osman, M. A. Salvadó, M. Taravillo, J. M. Recio

2019-05-10 Paper

DOI: 10.1039/C9CP00913B

On the preparation and NMR spectroscopic characterization of potassium aluminium tetrahydride KAlH4

Bodo Zibrowius, Michael Felderhoff

2019-05-17 Paper

DOI: 10.1039/C9CP01059A

Elusive hypervalent phosphorus⋯π interactions: evidence for paradigm transformation from hydrogen to phosphorus bonding at low temperatures

P. K. Sruthi, Shubhra Sarkar, N. Ramanathan, K. Sundararajan

2019-05-14 Paper

DOI: 10.1039/C9CP01925A

4He/3He separation using oxygen-functionalized nanoporous graphene

Maryam S. Motallebiour, Javad Karimi-Sabet, Ali Maghari

2019-05-21 Paper

DOI: 10.1039/C9CP01364D

DNA size in confined environments

2019-05-22 Paper

DOI: 10.1039/C9CP01098J

Modulating the electronic structures of blue phosphorene towards spintronics

Xiang-Qian Lu, Chuan-Kui Wang, Xiao-Xiao Fu

2019-05-08 Paper

DOI: 10.1039/C9CP01684H

You might also like

Compound Q&A

What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?

1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...

141290-59-71H-Indazole-6-carbon...
Compound Q&A

How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?

Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...

2997-85-5Dioctyl (2E)-2-buten...
Compound Q&A

What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?

Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...

68291-98-5Sodium [(1,2-benzoxa...
Compound Q&A

Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?

Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...

741709-66-0Dimethyl 4-(4,4,5,5-...
Compound Q&A

How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?

Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...

80714-39-22-Fluoro-6-hydrazino...
Compound Q&A

What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?

6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...

499214-11-86-Formyl-2-pyridinec...
900874-91-13-(3,4-dimethoxyphen...
Compound Q&A

How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?

9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...

29875-73-89H-Tribenzo[b,d,f]az...
Compound Q&A

How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?

1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...

1797982-51-41-Cyclopropyl-7-etho...
Compound Q&A

How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?

Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...

671820-52-3Methyl 3-oxo-1,2,3,4...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.