CORDIS provides links to public deliverables and publications of HORIZON projects.
Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .
Deliverables
MD simulations and pilot studies will be performed.
Final report and official press release (opens in new window)The final scientific results will be collected by the HPI and published And an official press release will be published via the common public website of the project as well as the website of the European Commission
Evaluation of X-MS-I based SPI (opens in new window)Structure analysis of lowpopulated transient complexes of different viruses will be evaluated including time frames for data acquisition and analysis
Instrumental settings for structural integrity (opens in new window)IM, action-FRET and UVPD in comparison to available solution phase data and structures will be used to confirm structural integrity of protein complexes in the gas phase.
Dissemination and Exploitation plan (opens in new window)The HPI is going to outline a dissemination and exploitation plan which will be updated on a regular basis as the project proceeds.
X-MS-I prototype design for integration (opens in new window)The X-MS-I prototype for European XFEL will include the aerolens, digital ion trap, IM and orientation device. Ions will follow a linear trajectory. A short ToF with VMI detector will be added behind the interaction region to allow for offline system testing, online quality control of the samples and monitoring mass selectivity of ions that have not been hit by the laser pulse.
Requirements from simulations for SPI experiments (opens in new window)Methods for integrating actionFRET and IM data with MD simulations have been successfully developed so that now the necessary requirements for performing the actual experiments can be documented
Evaluation of component tests (opens in new window)Methods for ion gating acceleration and trapping of high mass ions at intermediate pressure in the hybrid RF ion guide of the aerolens will be tested to enhance desolvation while maintaining structural integrity of the proteins under investigation
Benchmarking simulations of X-MS-I for SPI experiments (opens in new window)Simulations of system and beamline
The aerolens, digital ion trap and IM cell will be characterised for large ions using ion optical modelling prior to manufacturing. Required pressures, theoretical performance for trapping, mass selection and combination with IM device have to be defined to inform benchmarking in WP4. This will culminate in a software pipeline for simulation, testing, evaluation and implementation of instrumentation.
The European XFEL-partner is going to establishing a cooperative internet working platform at the start of the project to facilitate communication, spreading of knowledge, internal publication of results and reports.
The final prototype experimental chamber accommodating X-MS-I will be installed at the SPB/SFX instrument.
The HPI is going to generate a data management plan which meets the needs of the project and participating partners and this document will be updated on a regular basis as the work proceeds.
Publications
Author(s):
Anna Sinelnikova
Published in:
2021
Publisher:
Acta Universitatis Upsaliensis
Author(s):
Brodmerkel, Maxim N.
Published in:
2023, ISSN 1651-6214
Publisher:
Uppsala: Acta Universitatis Upsaliensis, 2023. , p. 96
Author(s):
Maxim N. Brodmerkel, Emiliano De Santis, Charlotte Uetrecht, Carl Caleman, Erik G. Marklund.
Published in:
Current Research in Structural Biology, 2022, ISSN 2665-928X
Publisher:
Elsevier B.V.
DOI:
10.1016/j.crstbi.2022.10.001
Author(s):
Florian Simke, Paul Fischer, Tomislav Damjanović, Alan Kádek, Thomas
Kierspel, Kristina Lorenzen, Charlotte Uetrecht. and Lutz Schweikhard
Published in:
Journal of Instrumentation, Issue Vol. 18, 2023, ISSN 1748-0221
Publisher:
Institute of Physics
DOI:
10.1088/1748-0221/18/10/p10021
Author(s):
Thomas Mandl, Christofer Östlin, Ibrahim E. Dawod, Maxim N. Brodmerkel, Erik G. Marklund, Andrew V. Martin, Nicusor Timneanu, Carl Caleman
Published in:
The Journal of Physical Chemistry Letters, Issue 11/15, 2020, Page(s) 6077-6083, ISSN 1948-7185
Publisher:
American Chemical Society
DOI:
10.1021/acs.jpclett.0c01144
Author(s):
Manuel David Peris-Díaz, Alexey Barkhanskiy, Ellen Liggett, Perdita Barran
Published in:
Chemical Communication, 2023, ISSN 1359-7345
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d2cc06559b
Author(s):
Hsin-Yung Yen, Mia L. Abramsson, Mark T. Agasid, Dilraj Lama, Joseph Gault, Idlir Liko, Margit Kaldmäe, Mihkel Saluri, Abdul Aziz Qureshi, Albert Suades, David Drew, Matteo T. Degiacomi, Erik G. Marklund, Timothy M. Allison, Carol V. Robinson and Michael Landreh.
Published in:
RSC Advances, 2022, ISSN 2046-2069
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d2ra01282k
Author(s):
Alan Kadek, Kristina Lorenzen, Charlotte Uetrecht
Published in:
Drug Discovery Today: Technologies, 2021, ISSN 1740-6749
Publisher:
Elsevier BV
DOI:
10.1016/j.ddtec.2021.07.001
Author(s):
Anna Sinelnikova, Thomas Mandl, Christofer Östlin, Oscar Grånäs, Maxim N. Brodmerkel, Erik G. Marklund, Carl Caleman
Published in:
Chemical Science, Issue 12/6, 2021, Page(s) 2030-2038, ISSN 2041-6520
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d0sc06008a
Author(s):
Thomas Kierspel, Alan Kadek, Perdita Barran, Bruno Bellina, Adi Bijedic, Maxim N. Brodmerkel, Jan Commandeur, Carl Caleman, Tomislav Damjanović, Ibrahim Dawod, Emiliano De Santis, Alexandros Lekkas, Kristina Lorenzen, Luis López Morillo, Thomas Mandl, Erik G. Marklund, Dimitris Papanastasiou, Lennart A. I. Ramakers, Lutz Schweikhard, Florian Simke, Anna Sinelnikova, Athanasios Smyrnakis, Nicusor
Published in:
Analytical and Bioanalytical Chemistry, 2023, ISSN 1618-2642
Publisher:
Springer Verlag
DOI:
10.1007/s00216-023-04658-y
Author(s):
Florian Simke, Paul Fischer, Gerrit Marx, Lutz Schweikhard
Published in:
International Journal of Mass Spectrometry, Issue Volume 473, 2022, ISSN 1387-3806
Publisher:
Elsevier BV
DOI:
10.1016/j.ijms.2021.116779
Author(s):
Inês S. Camacho, Rachelle Black, Derren J. Heyes, Linus O. Johannissen, Lennart A. I. Ramakers, Bruno Bellina, Perdita E. Barran, Sam Hay, Alex R. Jones
Published in:
Chemical Science, Issue 12/24, 2021, Page(s) 8333-8341, ISSN 2041-6520
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d1sc00522g
Author(s):
Maxim N. Brodmerkel, Emiliano De Santis, Carl Caleman & Erik G. Marklund
Published in:
The Protein Journal, 2023, ISSN 1572-3887
Publisher:
Springer Verlag
DOI:
10.1007/s10930-023-10110-y
Author(s):
Huijong Han, Ekaterina Round, Robin Schubert, Yasmin Gül, Jana Makroczyová, Domingo Meza, Philipp Heuser, Martin Aepfelbacher, Imrich Barák, Christian Betzel, Petra Fromme, Inari Kursula, Poul Nissen, Elena Tereschenko, Joachim Schulz, Charlotte Uetrecht, Jozef Ulicný, Matthias Wilmanns, Janos Hajdu, Victor S. Lamzin, Kristina Lorenzen
Published in:
Journal of Applied Crystallography, Issue 54/1, 2021, Page(s) 7-21, ISSN 1600-5767
Publisher:
IUCr Journals
DOI:
10.1107/s1600576720013989
Author(s):
Rachelle Black, Alexey Barkhanskiy, Lennart A.I. Ramakers, Alina Theisen, Jeffery M. Brown, Bruno Bellina, Drupad K. Trivedi, Perdita E. Barran
Published in:
International Journal of Mass Spectrometry, Issue 464, 2021, Page(s) 116588, ISSN 1387-3806
Publisher:
Elsevier BV
DOI:
10.1016/j.ijms.2021.116588
Author(s):
Jasmin Dülfer, Hao Yan, Maxim N. Brodmerkel, Robert Creutznacher, Alvaro Mallagaray, Thomas Peters, Carl Caleman, Erik G. Marklund, Charlotte Uetrecht
Published in:
Molecules, Issue 26/8, 2021, Page(s) 2125, ISSN 1420-3049
Publisher:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/molecules26082125
Author(s):
Niklas Geue, Grigore Timco, George Whitehead, Eric McInnes, Neil Burton, Richard Winpenny and Perdita Barran
Published in:
Nature Synthesis, Issue 2, 2023, Page(s) 926–936, ISSN 2731-0582
Publisher:
Springer Nature
DOI:
10.1038/s44160-023-00383-7
Author(s):
Niklas Geue, Tom S. Bennett, Alexandra-Ana-Maria Arama, Lennart A. I. Ramakers, George F. S. Whitehead, Grigore A. Timco, P. B. Armentrout, Eric J. L. McInnes, Neil A. Burton, Richard E. P. Winpenny, and Perdita E. Barran
Published in:
Journal of the American Chemical Society, 2022, ISSN 0002-7863
Publisher:
American Chemical Society
DOI:
10.1021/jacs.2c07522
Author(s):
Mia L. Abramsson, Cagla Sahin, Jonathan T. S. Hopper, Rui M. M. Branca, Jens Danielsson, Mingming Xu, Shane A. Chandler, Nicklas Österlund, Leopold L. Ilag, Axel Leppert, Joana Costeira-Paulo, Lisa Lang, Kaare Teilum, Arthur Laganowsky, Justin L. P. Benesch, Mikael Oliveberg, Carol V. Robinson, Erik G. Marklund, Timothy M. Allison, Jakob R. Winther, and Michael Landreh
Published in:
JACS Au, 2021, ISSN 0002-7863
Publisher:
American Chemical Society
DOI:
10.1021/jacsau.1c00458
Author(s):
Anna Sinelnikova, Thomas Mandl, Harald Agelii, Oscar Grånäs, Erik G. Marklund, Carl Caleman, Emiliano De Santis
Published in:
Biophysical Journal, Issue 120/17, 2021, Page(s) 3709-3717, ISSN 0006-3495
Publisher:
Biophysical Society
DOI:
10.1016/j.bpj.2021.07.017
Author(s):
Rachelle Black, Perdita E. Barran, Lennart A. I. Ramakers
Published in:
Advanced Fragmentation Methods in Biomolecular Mass Spectrometry - Probing Primary and Higher Order Structure with Electrons, Photons and Surfaces, 2020, Page(s) 235-280, ISBN 978-1-83916-104-9
Publisher:
Royal Society of Chemistry
DOI:
10.1039/9781839161056-00235
Author(s):
Véro Mischitz
Published in:
2021
Publisher:
European XFEL
DOI:
10.22003/xfel.eu-comic-2021-001-en
Author(s):
Manuel David Peris-Díaz ,Artur Krężel and Perdita Barran.
Published in:
ChemRxiv, 2022, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2022-f6mjt
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