Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals
Тип публикации: Journal Article
Дата публикации: 2018-01-24
scimago Q2
wos Q1
БС1
SJR: 0.633
CiteScore: 5.6
Impact factor: 3.4
ISSN: 15287483, 15287505
General Chemistry
Condensed Matter Physics
General Materials Science
Краткое описание
Proline has been widely used for various cocrystallization applications, including pharmaceutical cocrystals. Combining enantiopure and racemic flurbiprofen and proline, we discovered 18 new crystal structures. Liquid-assisted grinding proved highly efficient to explore all the variety of crystal forms. A unique combination of state-of-the-art characterization techniques, comprising variable temperature in situ X-ray diffraction and in situ ball-milling, along with other physicochemical methods and density functional theory calculations, was indispensable for identifying all the phases. Analyzing the results of in situ ball-milling, we established a stepwise mechanism for the formation of several 1:1 cocrystals via an intermediate 2:1 phase. The nature of the solvent in liquid-assisted grinding was found to significantly affect the reaction rate and, in some cases, the reaction pathway.
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Tumanova N. et al. Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals // Crystal Growth and Design. 2018. Vol. 18. No. 2. pp. 954-961.
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Tumanova N., Tumanov N., Robeyns K., Fischer F., Fusaro L., Morelle F., Ban V., Hautier G., Filinchuk Y., Wouters J., Leyssens T., Emmerling F. Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals // Crystal Growth and Design. 2018. Vol. 18. No. 2. pp. 954-961.
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TY - JOUR
DO - 10.1021/acs.cgd.7b01436
UR - https://doi.org/10.1021/acs.cgd.7b01436
TI - Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals
T2 - Crystal Growth and Design
AU - Tumanova, Natalia
AU - Tumanov, Nikolay
AU - Robeyns, Koen
AU - Fischer, Franziska
AU - Fusaro, Luca
AU - Morelle, Fabrice
AU - Ban, Voraksmy
AU - Hautier, Geoffroy
AU - Filinchuk, Yaroslav
AU - Wouters, J.
AU - Leyssens, Tom
AU - Emmerling, Franziska
PY - 2018
DA - 2018/01/24
PB - American Chemical Society (ACS)
SP - 954-961
IS - 2
VL - 18
SN - 1528-7483
SN - 1528-7505
ER -
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@article{2018_Tumanova,
author = {Natalia Tumanova and Nikolay Tumanov and Koen Robeyns and Franziska Fischer and Luca Fusaro and Fabrice Morelle and Voraksmy Ban and Geoffroy Hautier and Yaroslav Filinchuk and J. Wouters and Tom Leyssens and Franziska Emmerling},
title = {Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals},
journal = {Crystal Growth and Design},
year = {2018},
volume = {18},
publisher = {American Chemical Society (ACS)},
month = {jan},
url = {https://doi.org/10.1021/acs.cgd.7b01436},
number = {2},
pages = {954--961},
doi = {10.1021/acs.cgd.7b01436}
}
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Tumanova, Natalia, et al. “Opening Pandora’s Box: Chirality, Polymorphism, and Stoichiometric Diversity in Flurbiprofen/Proline Cocrystals.” Crystal Growth and Design, vol. 18, no. 2, Jan. 2018, pp. 954-961. https://doi.org/10.1021/acs.cgd.7b01436.