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http://repositorio.ufla.br/jspui/handle/1/50850| Title: | Theoretical construction of thermodynamic relations for a solvent-controlled phase transition to improve the bioavailability of drugs: a case study of indomethacin |
| Keywords: | Bioavailability Indomethacin DFT methods Polymorphic phase transition Thermodynamic functions Biodisponibilidade Indometacina Métodos DFT Transição de fase polimórfica Funções termodinâmicas |
| Issue Date: | 2022 |
| Publisher: | Egyptian Chemical Society |
| Citation: | BRITO, K. P. S. de et al. Theoretical construction of thermodynamic relations for a solvent-controlled phase transition to improve the bioavailability of drugs: a case study of indomethacin. Egyptian Journal of Chemistry, Cairo, v. 65, n. 7, p. 465-472, 2022. DOI: 10.21608/EJCHEM.2021.104860.4841. |
| Abstract: | The thermodynamic aspects of the polymorphic phase transition from α-indomethacin to γ-indomethacin are the fundamental key to find the most bioavailable phase of indomethacin. In the present work, varying the solvent permittivity changes the polymorphic transitions. Hence, the thermodynamic properties such as enthalpy, Gibbs free energy, and entropy of both indomethacin polymorphs are determined in terms of the solvent permittivity at T0=298.15 K and P0=1 atm., which are crucially related to the stability, spontaneity, and reversibility of the polymorphic transformation. |
| URI: | 10.21608/EJCHEM.2021.104860.4841 http://repositorio.ufla.br/jspui/handle/1/50850 |
| Appears in Collections: | DQI - Artigos publicados em periódicos |
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