Impact of solvent–drug interactions on the desolvation of a pharmaceutical solvate

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00556048" target="_blank" >RIV/68378271:_____/22:00556048 - isvavai.cz</a>
Alternative codes found
RIV/60461373:22340/22:43924996
Result on the web
<a href="https://doi.org/10.1021/acs.jpcb.1c07655" target="_blank" >https://doi.org/10.1021/acs.jpcb.1c07655</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcb.1c07655" target="_blank" >10.1021/acs.jpcb.1c07655</a>

Result language
angličtina
Original language name
Impact of solvent–drug interactions on the desolvation of a pharmaceutical solvate
Original language description
In drug manufacturing, solvent-based methods are used for the crystallization of active pharmaceutical ingredients (APIs). Often, the solvent interacts with the API resulting in the formation of a new solid compound, the solvate. When desolvation occurs upon heating, it might result in the formation of new solid forms with significantly different physicochemical properties. Therefore, in this work, we study the desolvation kinetics by combining in situ powder X-ray diffraction (PXRD), all-atom molecular dynamics (MD) simulations, and macroscopic solid-state reaction kinetics modeling.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/EF16_019%2F0000760" target="_blank" >EF16_019/0000760: Solid State Physics for 21st century</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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