Thermal decomposition of active pharmaceutical substances and accuracy of the related kinetic predictions: The case of nifedipine

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F24%3A39922015" target="_blank" >RIV/00216275:25310/24:39922015 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0040603124001291?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0040603124001291?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.tca.2024.179790" target="_blank" >10.1016/j.tca.2024.179790</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thermal decomposition of active pharmaceutical substances and accuracy of the related kinetic predictions: The case of nifedipine

Popis výsledku v původním jazyce

Non-isothermal thermogravimetry was used to study the thermal decomposition of the nifedipine drug. The dominant process of thermal molecular degradation (as confirmed by Raman spectroscopy) starts very slowly at similar to 150 degrees C, which is below the melting point of T-m approximate to 170 degrees C. The decomposition kinetics was described in terms of the autocatalytic &amp; Scaron;est &amp; aacute;k-Berggren kinetics; a novel approach denoted as single-curve multivariate kinetic analysis (sc-MKA) was used to determine the following set of parameters: activation energy of decomposition E-d = 115.5 +/- 2.4 kJ mol(-1), decomposition pre-exponential factor log(A(d)/s(-1)) approximate to 8.5-8.9, &amp; Scaron;est &amp; aacute;k-Berggren kinetic exponents M approximate to 0-0.2 and N approximate to 0.3-0.5. The consequent kinetic predictions based on these results have confirmed the good thermal stability of nifedipine, which allows for the melt-quenching preparation of the amorphous phase as well as for the processing via hot melt extrusion and 3D printing. An in-depth analysis of the relevant performance of the sc-MKA approach was done based on the akin literature data for indomethacin, nimesulide, and griseofulvin. The comparison has revealed more than sufficient performance of the sc-MKA method with regard to its application to the thermal decomposition data of active pharmaceutical substances. The most critical aspect of the sc-MKA procedure was demonstrated to be the accurate determination of the model-free parameters (activation energy E-d and pre-exponential factor A(d)) and their temperature trends. Considering the specificity of the sc-MKA method, i.e., the fixed value of E-d(T), the determination of the temperature dependence of A(d)(T) is of utmost importance and worth extensive repeatability checks.

Název v anglickém jazyce

Thermal decomposition of active pharmaceutical substances and accuracy of the related kinetic predictions: The case of nifedipine

Popis výsledku anglicky

Non-isothermal thermogravimetry was used to study the thermal decomposition of the nifedipine drug. The dominant process of thermal molecular degradation (as confirmed by Raman spectroscopy) starts very slowly at similar to 150 degrees C, which is below the melting point of T-m approximate to 170 degrees C. The decomposition kinetics was described in terms of the autocatalytic &amp; Scaron;est &amp; aacute;k-Berggren kinetics; a novel approach denoted as single-curve multivariate kinetic analysis (sc-MKA) was used to determine the following set of parameters: activation energy of decomposition E-d = 115.5 +/- 2.4 kJ mol(-1), decomposition pre-exponential factor log(A(d)/s(-1)) approximate to 8.5-8.9, &amp; Scaron;est &amp; aacute;k-Berggren kinetic exponents M approximate to 0-0.2 and N approximate to 0.3-0.5. The consequent kinetic predictions based on these results have confirmed the good thermal stability of nifedipine, which allows for the melt-quenching preparation of the amorphous phase as well as for the processing via hot melt extrusion and 3D printing. An in-depth analysis of the relevant performance of the sc-MKA approach was done based on the akin literature data for indomethacin, nimesulide, and griseofulvin. The comparison has revealed more than sufficient performance of the sc-MKA method with regard to its application to the thermal decomposition data of active pharmaceutical substances. The most critical aspect of the sc-MKA procedure was demonstrated to be the accurate determination of the model-free parameters (activation energy E-d and pre-exponential factor A(d)) and their temperature trends. Considering the specificity of the sc-MKA method, i.e., the fixed value of E-d(T), the determination of the temperature dependence of A(d)(T) is of utmost importance and worth extensive repeatability checks.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10400 - Chemical sciences

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Thermochimica Acta

ISSN

0040-6031

e-ISSN

1872-762X

Svazek periodika

738

Číslo periodika v rámci svazku

August 2024

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

179790

Kód UT WoS článku

001253382500001

EID výsledku v databázi Scopus

2-s2.0-85195553964