Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former

Abstract 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...

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Autores principales:	Michela Romanini, María Barrio, Roberto Macovez, María D. Ruiz-Martin, Simone Capaccioli, Josep Ll. Tamarit
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/e462d5eb8fbe4b6fb850806b7c61aca1
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spelling	oai:doaj.org-article:e462d5eb8fbe4b6fb850806b7c61aca12021-12-02T12:30:13ZThermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former10.1038/s41598-017-01464-22045-2322https://doaj.org/article/e462d5eb8fbe4b6fb850806b7c61aca12017-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-01464-2https://doaj.org/toc/2045-2322Abstract 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.Michela RomaniniMaría BarrioRoberto MacovezMaría D. Ruiz-MartinSimone CapaccioliJosep Ll. TamaritNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Michela Romanini María Barrio Roberto Macovez María D. Ruiz-Martin Simone Capaccioli Josep Ll. Tamarit Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former
description	Abstract 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	article
author	Michela Romanini María Barrio Roberto Macovez María D. Ruiz-Martin Simone Capaccioli Josep Ll. Tamarit
author_facet	Michela Romanini María Barrio Roberto Macovez María D. Ruiz-Martin Simone Capaccioli Josep Ll. Tamarit
author_sort	Michela Romanini
title	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_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_sort	thermodynamic scaling of the dynamics of a strongly hydrogen-bonded glass-former
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/e462d5eb8fbe4b6fb850806b7c61aca1
work_keys_str_mv	AT michelaromanini thermodynamicscalingofthedynamicsofastronglyhydrogenbondedglassformer AT mariabarrio thermodynamicscalingofthedynamicsofastronglyhydrogenbondedglassformer AT robertomacovez thermodynamicscalingofthedynamicsofastronglyhydrogenbondedglassformer AT mariadruizmartin thermodynamicscalingofthedynamicsofastronglyhydrogenbondedglassformer AT simonecapaccioli thermodynamicscalingofthedynamicsofastronglyhydrogenbondedglassformer AT joseplltamarit thermodynamicscalingofthedynamicsofastronglyhydrogenbondedglassformer
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Thermodynamic Scaling of the Dynamics of a Strongly Hydrogen-Bonded Glass-Former

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