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Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F23%3A00574695" target="_blank" >RIV/61388971:_____/23:00574695 - isvavai.cz</a>

  • Result on the web

    <a href="https://link.springer.com/article/10.1007/s00216-023-04658-y" target="_blank" >https://link.springer.com/article/10.1007/s00216-023-04658-y</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1007/s00216-023-04658-y" target="_blank" >10.1007/s00216-023-04658-y</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Coherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC

  • Original language description

    MS SPIDOC is a novel sample delivery system designed for single (isolated) particle imaging at X-ray Free-Electron Lasers that is adaptable towards most large-scale facility beamlines. Biological samples can range from small proteins to MDa particles. Following nano-electrospray ionization, ionic samples can be m/z-filtered and structurally separated before being oriented at the interaction zone. Here, we present the simulation package developed alongside this prototype. The first part describes how the front-to-end ion trajectory simulations have been conducted. Highlighted is a quadrant lens, a simple but efficient device that steers the ion beam within the vicinity of the strong DC orientation field in the interaction zone to ensure spatial overlap with the X-rays. The second part focuses on protein orientation and discusses its potential with respect to diffractive imaging methods. Last, coherent diffractive imaging of prototypical T = 1 and T = 3 norovirus capsids is shown. We use realistic experimental parameters from the SPB/SFX instrument at the European XFEL to demonstrate that low-resolution diffractive imaging data (q < 0.3 nm(-1)) can be collected with only a few X-ray pulses. Such low-resolution data are sufficient to distinguish between both symmetries of the capsids, allowing to probe low abundant species in a beam if MS SPIDOC is used as sample delivery.

  • 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

    10606 - Microbiology

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2023

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Analytical and Bioanalytical Chemistry

  • ISSN

    1618-2642

  • e-ISSN

    1618-2650

  • Volume of the periodical

    415

  • Issue of the periodical within the volume

    18

  • Country of publishing house

    DE - GERMANY

  • Number of pages

    12

  • Pages from-to

    4209-4220

  • UT code for WoS article

    000963181300001

  • EID of the result in the Scopus database

    2-s2.0-85151737401