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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

  • Czech description

Classification

  • 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.)

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

  • 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