Indomethacin: The Interplay between Structural Relaxation, Viscous Flow and Crystal Growth

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F22%3A39919524" target="_blank" >RIV/00216275:25310/22:39919524 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.mdpi.com/1420-3049/27/17/5668" target="_blank" >https://www.mdpi.com/1420-3049/27/17/5668</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/molecules27175668" target="_blank" >10.3390/molecules27175668</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Indomethacin: The Interplay between Structural Relaxation, Viscous Flow and Crystal Growth

Popis výsledku v původním jazyce

Non-isothermal differential scanning calorimetry (DSC) was used to study the influences of particle size (d(aver)) and heating rate (q(+)) on the structural relaxation, crystal growth and decomposition kinetics of amorphous indomethacin. The structural relaxation and decomposition processes exhibited d(aver)-independent kinetics, with the q(+) dependences based on the apparent activation energies of 342 and 106 kJ center dot mol(-1), respectively. The DSC-measured crystal growth kinetics played a dominant role in the nucleation throughout the total macroscopic amorphous-to-crystalline transformation: the change from the zero-order to the autocatalytic mechanism with increasing q(+), the significant alteration of kinetics, with the storage below the glass transition temperature, and the accelerated crystallization due to mechanically induced defects. Whereas slow q(+) led to the formation of the thermodynamically stable gamma polymorph, fast q(+) produced a significant amount of the metastable alpha polymorph. Mutual correlations between the macroscopic and microscopic crystal growth processes, and between the viscous flow and structural relaxation motions, were discussed based on the values of the corresponding activation energies. Notably, this approach helped us to distinguish between particular crystal growth modes in the case of the powdered indomethacin materials. Ediger&apos;s decoupling parameter was used to quantify the relationship between the viscosity and crystal growth. The link between the cooperativity of structural domains, parameters of the Tool-Narayanaswamy-Moynihan relaxation model and microscopic crystal growth was proposed.

Název v anglickém jazyce

Indomethacin: The Interplay between Structural Relaxation, Viscous Flow and Crystal Growth

Popis výsledku anglicky

Non-isothermal differential scanning calorimetry (DSC) was used to study the influences of particle size (d(aver)) and heating rate (q(+)) on the structural relaxation, crystal growth and decomposition kinetics of amorphous indomethacin. The structural relaxation and decomposition processes exhibited d(aver)-independent kinetics, with the q(+) dependences based on the apparent activation energies of 342 and 106 kJ center dot mol(-1), respectively. The DSC-measured crystal growth kinetics played a dominant role in the nucleation throughout the total macroscopic amorphous-to-crystalline transformation: the change from the zero-order to the autocatalytic mechanism with increasing q(+), the significant alteration of kinetics, with the storage below the glass transition temperature, and the accelerated crystallization due to mechanically induced defects. Whereas slow q(+) led to the formation of the thermodynamically stable gamma polymorph, fast q(+) produced a significant amount of the metastable alpha polymorph. Mutual correlations between the macroscopic and microscopic crystal growth processes, and between the viscous flow and structural relaxation motions, were discussed based on the values of the corresponding activation energies. Notably, this approach helped us to distinguish between particular crystal growth modes in the case of the powdered indomethacin materials. Ediger&apos;s decoupling parameter was used to quantify the relationship between the viscosity and crystal growth. The link between the cooperativity of structural domains, parameters of the Tool-Narayanaswamy-Moynihan relaxation model and microscopic crystal growth was proposed.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10401 - Organic chemistry

Projekt

<a href="/cs/project/LM2018103" target="_blank" >LM2018103: Výzkumná infrastruktura CEMNAT</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

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

Název periodika

Molecules

ISSN

1420-3049

e-ISSN

1420-3049

Svazek periodika

27

Číslo periodika v rámci svazku

17

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

23

Strana od-do

"5668-1"-"5668-23"

Kód UT WoS článku

000851900500001

EID výsledku v databázi Scopus

2-s2.0-85137846656