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Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
We probe the temperature- and pressure-dependent specific volume (v) and dipolar dynamics of the amorphous phase (in both the supercooled liquid and glass states) of the ternidazole drug (TDZ). Three molecular dynamic processes are identified by means of dielectric spectroscopy, namely the α relaxat...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5431067/ https://www.ncbi.nlm.nih.gov/pubmed/28465573 http://dx.doi.org/10.1038/s41598-017-01464-2 |
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author | Romanini, Michela Barrio, María Macovez, Roberto Ruiz-Martin, María D. Capaccioli, Simone Tamarit, Josep Ll. |
author_facet | Romanini, Michela Barrio, María Macovez, Roberto Ruiz-Martin, María D. Capaccioli, Simone Tamarit, Josep Ll. |
author_sort | Romanini, Michela |
collection | PubMed |
description | We probe the temperature- and pressure-dependent specific volume (v) and dipolar dynamics of the amorphous phase (in both the supercooled liquid and glass states) of the ternidazole drug (TDZ). Three molecular dynamic processes are identified by means of dielectric spectroscopy, namely the α relaxation, which vitrifies at the glass transition, a Johari-Goldstein β (JG) relaxation, and an intramolecular process associated with the relaxation motion of the propanol chain of the TDZ molecule. The lineshapes of dielectric spectra characterized by the same relaxation time (isochronal spectra) are virtually identical, within the studied temperature and pressure ranges, so that the time-temperature-pressure superposition principle holds for TDZ. The α and β (JG) relaxation times fulfil the density-dependent thermodynamic scaling: master curves result when they are plotted against the thermodynamic quantity Tv (γ), with thermodynamic exponent γ approximately equal to 2. These results show that the dynamics of TDZ, a system characterized by strong hydrogen bonding, is characterized by an isomorphism similar to that of van-der-Waals systems. The low value of γ can be rationalized in terms of the relatively weak density-dependence of the dynamics of hydrogen-bonded systems. |
format | Online Article Text |
id | pubmed-5431067 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-54310672017-05-16 Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former Romanini, Michela Barrio, María Macovez, Roberto Ruiz-Martin, María D. Capaccioli, Simone Tamarit, Josep Ll. Sci Rep Article We probe the temperature- and pressure-dependent specific volume (v) and dipolar dynamics of the amorphous phase (in both the supercooled liquid and glass states) of the ternidazole drug (TDZ). Three molecular dynamic processes are identified by means of dielectric spectroscopy, namely the α relaxation, which vitrifies at the glass transition, a Johari-Goldstein β (JG) relaxation, and an intramolecular process associated with the relaxation motion of the propanol chain of the TDZ molecule. The lineshapes of dielectric spectra characterized by the same relaxation time (isochronal spectra) are virtually identical, within the studied temperature and pressure ranges, so that the time-temperature-pressure superposition principle holds for TDZ. The α and β (JG) relaxation times fulfil the density-dependent thermodynamic scaling: master curves result when they are plotted against the thermodynamic quantity Tv (γ), with thermodynamic exponent γ approximately equal to 2. These results show that the dynamics of TDZ, a system characterized by strong hydrogen bonding, is characterized by an isomorphism similar to that of van-der-Waals systems. The low value of γ can be rationalized in terms of the relatively weak density-dependence of the dynamics of hydrogen-bonded systems. Nature Publishing Group UK 2017-05-02 /pmc/articles/PMC5431067/ /pubmed/28465573 http://dx.doi.org/10.1038/s41598-017-01464-2 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Romanini, Michela Barrio, María Macovez, Roberto Ruiz-Martin, María D. Capaccioli, Simone Tamarit, Josep Ll. Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former |
title | Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former |
title_full | Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former |
title_fullStr | Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former |
title_full_unstemmed | Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former |
title_short | Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former |
title_sort | thermodynamic scaling of the dynamics of a strongly hydrogen-bonded glass-former |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5431067/ https://www.ncbi.nlm.nih.gov/pubmed/28465573 http://dx.doi.org/10.1038/s41598-017-01464-2 |
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