Breakdown of the isochronal structural (α) and secondary (JG β) exact superpositioning in probucol - A low molecular weight pharmaceutical

Kamińska, Ewa; Minecka, Aldona; Tarnacka, Magdalena; Kamiński, Kamil; Paluch, Marian

doi:10.1016/j.molliq.2019.112169

Cited by 15 publications

(30 citation statements)

References 58 publications

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“…Theoretical curves and experimental data in Figure 4 exhibit better consistency than those in Figure 3. Moreover, the predicted and experimental T g are also close to each other at elevated pressure (P = 400 MPa) as shown in Table I [28,29,31,32]. The units of effective Young modulus and pressure are GPa.…”

Section: Resultssupporting

confidence: 66%

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Determination of Young's modulus of active pharmaceutical ingredients by relaxation dynamics at elevated pressures

Phan

2020

Preprint

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Section: Resultssupporting

confidence: 66%

“…1: (Color online) The temperature dependence of τα of (a) probucol, (b) droperidol, (c) glycerol, and (d) temidazole at different pressures. Open points are experimental data in ref [28][29][30][31][32]. and solid curves correspond to ECNLE calculations.…”

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confidence: 99%

Determination of Young's modulus of active pharmaceutical ingredients by relaxation dynamics at elevated pressures

Phan

2020

Preprint

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“…The experimental T g (P = 0) = 294.6 and 231.9 K for probucol and ternidazole, respectively. [28,29] The values of effective Young's modulus E = 1.9 and 8.1 GPa for probucol and ternidazole, respectively. [19] The inset shows our theoretical (ΔV # ) 1∕3 of glycerol versus temperature.…”

Section: Resultsmentioning

confidence: 99%

“…The temperature dependence of activation volume for a) ternidazole, b) glycerol,and c) probucol at elevated pressures. The experimental T g (P = 0) = 294.6 and 231.9 K for probucol and ternidazole, respectively [28,29]. The values of effective Young's modulus E = 1.9 and 8.1 GPa for probucol and ternidazole, respectively [19].…”

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confidence: 99%

Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass‐Forming Liquids under Compression

Phan

Ngân

et al. 2021

Macro Theory & Simulations

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Physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the elastically collective nonlinear Langevin equation theory is theoretically investigated. Based on the predicted temperature dependence of activated relaxation under various compressions, the activation volume is determined to characterize effects of pressure on molecular dynamics of materials. It is found that the decoupling of the structural relaxation time of compressed systems from their bulk uncompressed value is governed by the power-law rule. The decoupling exponent exponentially grows with pressure below 2 GPa. The decoupling exponent and activation volume are intercorrelated and have a connection with the differential activation free energy. Relationships among these quantities are analyzed numerically and mathematically to explain many results in previous experiments and simulations.

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“…2: (Color online) The temperature dependence of activation volume for (a) ternidazole, (b) glycerol, and (c) probucol at elevated pressures. The experimental Tg(P = 0) = 294.6 and 231.9 K for probucol and ternidazole, respectively [28,29]. The values of effective Young's modulus E = 1.9 and 8.1 GPa for probucol and ternidazole, respectively [19].…”

Section: Resultsmentioning

confidence: 99%

Toward a better understanding of activation volume and dynamic decoupling of glass-forming liquids under compression

Phan¹,

Ngân²,

Le³

et al. 2021

Preprint

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We theoretically investigate physical properties of the pressure-induced activation volume and dynamic decoupling of ternidazole, glycerol, and probucol by the Elastically Collective Nonlinear Langevin Equation theory. Based on the predicted temperature dependence of activated relaxation under various compression, the activation volume is determined to characterize effects of pressure on molecular dynamics of materials. We find that the decoupling of the structural relaxation time of compressed systems from their bulk uncompressed value is governed by the power-law rule. The decoupling exponent exponentially grows with pressure below 2 GPa. The decoupling exponent and activation volume are intercorrelated and have a connection with the differential activation free energy. We numerically and mathematically analyze relationships among these quantities to explain many results in previous experiments and simulations.

show abstract

Breakdown of the isochronal structural (α) and secondary (JG β) exact superpositioning in probucol - A low molecular weight pharmaceutical

Cited by 15 publications

References 58 publications

Determination of Young's modulus of active pharmaceutical ingredients by relaxation dynamics at elevated pressures

Determination of Young's modulus of active pharmaceutical ingredients by relaxation dynamics at elevated pressures

Toward a Better Understanding of Activation Volume and Dynamic Decoupling of Glass‐Forming Liquids under Compression

Toward a better understanding of activation volume and dynamic decoupling of glass-forming liquids under compression

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