Molecular Dynamic in Ethosuximide Glass Forming Pharmaceutical as Studied by Dielectric Relaxation Spectroscopy.
DFT
complex dynamics
dielectric spectroscopy
ethosuximide
moving window analysis
vitrification
Journal
Journal of pharmaceutical sciences
ISSN: 1520-6017
Titre abrégé: J Pharm Sci
Pays: United States
ID NLM: 2985195R
Informations de publication
Date de publication:
Jan 2019
Jan 2019
Historique:
received:
21
03
2018
revised:
15
06
2018
accepted:
29
06
2018
pubmed:
17
7
2018
medline:
15
2
2020
entrez:
17
7
2018
Statut:
ppublish
Résumé
Polymorphism and molecular dynamics of ethosuximide with molecules of left- and right-handed chirality have been studied in detail using dielectric spectroscopy. Density functional theory calculations of molecular conformations and dimer formation were performed to aid the interpretation of measurements. Moving window correlation analysis of the imaginary part of dielectric permittivity spectra allowed us to complete the monotropic system of phases found by the differential scanning calorimetry method. Extra transition connected with freezing-in/activation of slow molecular motions was identified in partially ordered crystal CrI phase. In high-temperature orientationally disordered CrI
Identifiants
pubmed: 30009796
pii: S0022-3549(18)30397-6
doi: 10.1016/j.xphs.2018.06.030
pii:
doi:
Substances chimiques
Ethosuximide
5SEH9X1D1D
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
102-108Informations de copyright
Copyright © 2019. Published by Elsevier Inc.