title: Molecular dynamics and physical stability of amorphous anti-inflammatory drug: celecoxib.
abstract: By using dielectric spectroscopy we analyzed the relation between molecular mobility and tendency of the amorphous celecoxib to recrystallize. We found that celecoxib is kinetically a fragile glassformer, contrary to the conclusion reached by others from thermodynamic fragility. The possible correlation of the large tendency of celecoxib to crystallize with various molecular motions have been investigated. Our study shows that the structural relaxation seems to be responsible for devitrification of celecoxib if stored at room temperature ∼293 K. Notwithstanding, the crystallization can be considered to ultimately be affected by the β-process (JG-relaxation) because it is the precursor of the structural α-relaxation.
authors.affiliation: Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice, Poland. kgrzybow@us.edu.pl
authors.forename: K
authors.initials: K
authors.lastname: Grzybowska
authors.forename: M
authors.initials: M
authors.lastname: Paluch
authors.forename: A
authors.initials: A
authors.lastname: Grzybowski
authors.forename: Z
authors.initials: Z
authors.lastname: Wojnarowska
authors.forename: L
authors.initials: L
authors.lastname: Hawelek
authors.forename: K
authors.initials: K
authors.lastname: Kolodziejczyk
authors.forename: K L
authors.initials: KL
authors.lastname: Ngai
mesh_terms: D000893:Anti-Inflammatory Agents / Q000737:chemistry*; D000068579:Celecoxib; D004355:Drug Stability; D056004:Molecular Dynamics Simulation; D011720:Pyrazoles / Q000737:chemistry*; D013449:Sulfonamides / Q000737:chemistry*; D013816:Thermodynamics; D014961:X-Ray Diffraction
chemical_list: D000893:Anti-Inflammatory Agents; D011720:Pyrazoles; D013449:Sulfonamides; D000068579:Celecoxib