Structural, thermal, vibrational, solubility and DFT studies of a tolbutamide co-amorphous drug delivery system for treatment of diabetes

Sá, Mônica Rodrigues de; Sarraguça, J. M. G.; Sousa, Francisco F. de; Sarraguça, Mafalda S.C.; Lopes, José; Lima, Antonio Douglas da S.G.; Lage, Mateus R.; Ribeiro, Paulo Roberto da Silva

doi:10.1016/j.ijpharm.2022.121500

Cited by 9 publications

(2 citation statements)

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“…Structural analysis of tolbutamide has been performed earlier by several research groups. 8,17 The conformations of the optimized geometries obtained in this work and by the authors mentioned above were not identical to each other. One might assume that the reason for this is the difference in the theory levels: in this work, we used B3LYP/6-31+G(d,p), Sert et al employed B3LYP/6-311G++(d,p), and Sáet al utilized ωB97x-D/6-311++G(d,p) theory level.…”

Section: Temperature Dependence Of the Thermodynamic Functionscontrasting

confidence: 52%

“…In some cases, enthalpies of transition were previously obtained indirectly according to the Hess law as a difference between the solution enthalpies of different polymorphs in the same solvent. The DSC measurements of the phase transitions between different solid phases and the liquid were also performed elsewhere; 7,8,10 however, the authors did not report numerical values of the transition enthalpies and/or temperatures. The data in Table 1 do not include estimations of the phase-transition enthalpies according to the Hess law performed in the literature.…”

Section: Temperature Dependence Of the Thermodynamic Functionsmentioning

confidence: 99%

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Phase-Transition Thermodynamics of Tolbutamide

Bolmatenkov,

Nizamov,

Sokolov

et al. 2024

J. Chem. Eng. Data

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Tolbutamide is an active pharmaceutical substance used in the treatment of type 2 diabetes. In this work, we report the first measurement of the vapor pressure above the liquid and crystalline phases of tolbutamide employing fast scanning calorimetry. From the temperature dependences of the vapor pressure, the vaporization and sublimation enthalpies were derived. The fusion enthalpy and the isobaric heat capacities of the crystalline and liquid phases were measured by differential scanning calorimetry, and the ideal gas-phase heat capacity was computed. The consistency between the values determined was checked, and the phase-transition thermodynamics of tolbutamide in a wide temperature range between 298 and 470 K was characterized. The obtained thermodynamic properties were compared with the calculations based on the group additive schemes that are often used to estimate unknown parameters of the pharmaceutical compounds.

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Section: Temperature Dependence Of the Thermodynamic Functionscontrasting

confidence: 52%

Section: Temperature Dependence Of the Thermodynamic Functionsmentioning

confidence: 99%