Electron diffraction determines molecular absolute configuration in a pharmaceutical nanocrystal
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00519611" target="_blank" >RIV/68378271:_____/19:00519611 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1126/science.aaw2560" target="_blank" >https://doi.org/10.1126/science.aaw2560</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1126/science.aaw2560" target="_blank" >10.1126/science.aaw2560</a>
Alternative languages
Result language
angličtina
Original language name
Electron diffraction determines molecular absolute configuration in a pharmaceutical nanocrystal
Original language description
Determination of the absolute configuration of organic molecules is essential in drug development and the subsequent approval process. We show that this determination is possible through electron diffraction using nanocrystalline material. Ab initio structure determination by electron diffraction has so far been limited to compounds that maintain their crystallinity after a dose of one electron per square angstrom or more. We present a complete structure analysis of a pharmaceutical cocrystal of sofosbuvir and L-proline, which is about one order of magnitude less stable. Data collection on multip le positions of a crystal and an advanced-intensity extraction procedure enabled us to solve the structure ab initio. We further show that dynamical diffraction effects are strong enough to permit unambiguous determination of the absolute structure of material composed of light scatterers.n
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Science
ISSN
0036-8075
e-ISSN
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Volume of the periodical
364
Issue of the periodical within the volume
6441
Country of publishing house
US - UNITED STATES
Number of pages
3
Pages from-to
667-669
UT code for WoS article
000468551000030
EID of the result in the Scopus database
2-s2.0-85066439723