Beta
ManageSearchChatDiscover
207988

Theoretical Construction of Thermodynamic Relations for a Solvent-controlled Phase Transition to Improve the Bioavailability of Drugs: A Case Study of Indomethacin

Article

Last updated: 01 Jan 2025

OverviewSimilar Items

Subjects

-

Tags

Material science

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.

DOI

10.21608/ejchem.2021.104860.4841

Keywords

bioavailability, Indomethacin, DFT methods, Polymorphic phase transition, Thermodynamic functions

Authors

First Name

Kelvyn P. S.

Last Name

de Brito

MiddleName

-

Affiliation

Department of Exact Sciences, Federal University of Lavras, PO Box 3037, 37200-000, Lavras-MG, Brazil

Email

-

City

-

Orcid

-

First Name

Letícia S.

Last Name

Braga

MiddleName

-

Affiliation

Department of Chemistry, Federal University of Lavras, PO Box 3037, 37200-000, Lavras- MG, Brazil

Email

-

City

-

Orcid

-

First Name

Teodorico C.

Last Name

Ramalho

MiddleName

-

Affiliation

Department of Chemistry, Federal University of Lavras, PO Box 3037, 37200-000, Lavras- MG, Brazil

Email

-

City

-

Orcid

-

First Name

Tatiana R.

Last Name

Cardoso

MiddleName

-

Affiliation

Department of Physics, Federal University of Lavras, PO Box 3037, 37200-000, Lavras-MG, Brazil

Email

-

City

-

Orcid

-

First Name

Elaine F. F.

Last Name

da Cunha

MiddleName

-

Affiliation

Department of Chemistry, Federal University of Lavras, PO Box 3037, 37200-000, Lavras- MG, Brazil

Email

-

City

-

Orcid

-

Volume

65

Article Issue

7

Related Issue

31861

Issue Date

2022-07-01

Receive Date

2021-11-07

Publish Date

2022-07-01

Page Start

465

Page End

472

Print ISSN

0449-2285

Online ISSN

2357-0245

Article File

EJCHEM_Volume 65_Issue 7_Pages 465-472.pdf

PDF . 405.3kB

Link

https://ejchem.journals.ekb.eg/article_207988.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=207988

Order

46

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

Theoretical Construction of Thermodynamic Relations for a Solvent-controlled Phase Transition to Improve the Bioavailability of Drugs: A Case Study of Indomethacin

Details

Type

Article

Created At

22 Jan 2023