000593878 001__ 593878
000593878 005__ 20250715173234.0
000593878 0247_ $$2doi$$a10.1007/s00216-023-04658-y
000593878 0247_ $$2ISSN$$a1618-2642
000593878 0247_ $$2ISSN$$a1618-2650
000593878 0247_ $$2datacite_doi$$a10.3204/PUBDB-2023-05544
000593878 0247_ $$2altmetric$$aaltmetric:144933749
000593878 0247_ $$2pmid$$apmid:37014373
000593878 0247_ $$2WOS$$aWOS:000963181300001
000593878 0247_ $$2openalex$$aopenalex:W4362520875
000593878 037__ $$aPUBDB-2023-05544
000593878 041__ $$aEnglish
000593878 1001_ $$0P:(DE-H253)PIP1018289$$aKierspel, Thomas$$b0$$eCorresponding author
000593878 245__ $$aCoherent diffractive imaging of proteins and viral capsids: simulating MS SPIDOC
000593878 260__ $$aHeidelberg$$bSpringer$$c2023
000593878 3367_ $$2DRIVER$$aarticle
000593878 3367_ $$2DataCite$$aOutput Types/Journal article
000593878 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1695380261_449892
000593878 3367_ $$2BibTeX$$aARTICLE
000593878 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000593878 3367_ $$00$$2EndNote$$aJournal Article
000593878 500__ $$aThis is an open access article. According to the licence we have to provide the link to the licence and indicate if changes were made. http://creativecommons.org/licenses/by/4.0/, no changes
000593878 520__ $$aMS SPIDOC is a novel sample delivery system designed for single (isolated) particle imaging at X-ray Free-Electron Lasers that is adaptable towards most large-scale facility beamlines. Biological samples can range from small proteins to MDa particles. Following nano-electrospray ionization, ionic samples can be m/z-filtered and structurally separated before being oriented at the interaction zone. Here, we present the simulation package developed alongside this prototype. The first part describes how the front-to-end ion trajectory simulations have been conducted. Highlighted is a quadrant lens; a simple but efficient device that steers the ion beam within the vicinity of the strong DC orientation field in the interaction zone to ensure spatial overlap with the X-rays. The second part focuses on protein orientation and discusses its potential with respect to diffractive imaging methods. Last, coherent diffractive imaging of prototypical T = 1 and T = 3 norovirus capsids is shown. We use realistic experimental parameters from the SPB/SFX instrument at the European XFEL to demonstrate that low- resolution diffractive imaging data (q < 0.3 nm$^{−1}$) can be collected with only a few X-ray pulses. Such low-resolution data are sufficient to distinguish between both symmetries of the capsids, allowing to probe low abundant species in a beam if MS SPIDOC is used as sample delivery.
000593878 536__ $$0G:(DE-HGF)POF4-633$$a633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633)$$cPOF4-633$$fPOF IV$$x0
000593878 536__ $$0G:(EU-Grant)801406$$aMS SPIDOC - Mass Spectrometry for Single Particle Imaging of Dipole Oriented protein Complexes (801406)$$c801406$$fH2020-FETOPEN-1-2016-2017$$x1
000593878 536__ $$0G:(DE-Ds200)BMBF-05K22PSA$$a05K22PSA - Verbundprojekt 05K2022 - 2021-05988 SAXFELS: Kleinwinkel-Röntgen-Freie-Elektronenlaser-Streuung (BMBF-05K22PSA)$$cBMBF-05K22PSA$$f05K22PSA$$x2
000593878 588__ $$aDataset connected to CrossRef, Journals: bib-pubdb1.desy.de
000593878 693__ $$0EXP:(DE-MLZ)NOSPEC-20140101$$5EXP:(DE-MLZ)NOSPEC-20140101$$eNo specific instrument$$x0
000593878 7001_ $$0P:(DE-H253)PIP1032252$$aKadek, Alan$$b1
000593878 7001_ $$0P:(DE-HGF)0$$aBarran, Perdita$$b2
000593878 7001_ $$0P:(DE-HGF)0$$aBellina, Bruno$$b3
000593878 7001_ $$0P:(DE-HGF)0$$aBijedic, Adi$$b4
000593878 7001_ $$0P:(DE-HGF)0$$aBrodmerkel, Maxim N.$$b5
000593878 7001_ $$0P:(DE-HGF)0$$aCommandeur, Jan$$b6
000593878 7001_ $$0P:(DE-H253)PIP1011740$$aCaleman, Carl$$b7
000593878 7001_ $$0P:(DE-H253)PIP1101212$$aDamjanovic, Tomislav$$b8
000593878 7001_ $$0P:(DE-HGF)0$$aDawod, Ibrahim$$b9
000593878 7001_ $$0P:(DE-HGF)0$$aDe Santis, Emiliano$$b10
000593878 7001_ $$0P:(DE-HGF)0$$aLekkas, Alexandros$$b11
000593878 7001_ $$0P:(DE-H253)PIP1022131$$aLorenzen, Kristina$$b12
000593878 7001_ $$0P:(DE-HGF)0$$aMorillo, Luis López$$b13
000593878 7001_ $$0P:(DE-HGF)0$$aMandl, Thomas$$b14
000593878 7001_ $$0P:(DE-HGF)0$$aMarklund, Erik G.$$b15
000593878 7001_ $$0P:(DE-HGF)0$$aPapanastasiou, Dimitris$$b16
000593878 7001_ $$0P:(DE-HGF)0$$aRamakers, Lennart A. I.$$b17
000593878 7001_ $$0P:(DE-HGF)0$$aSchweikhard, Lutz$$b18
000593878 7001_ $$0P:(DE-HGF)0$$aSimke, Florian$$b19
000593878 7001_ $$0P:(DE-HGF)0$$aSinelnikova, Anna$$b20
000593878 7001_ $$0P:(DE-HGF)0$$aSmyrnakis, Athanasios$$b21
000593878 7001_ $$0P:(DE-HGF)0$$aTimneanu, Nicusor$$b22
000593878 7001_ $$0P:(DE-H253)PIP1014042$$aUetrecht, Charlotte$$b23$$eCorresponding author
000593878 770__ $$aYoung Investigators in (Bio-)Analytical Chemistry 2023
000593878 773__ $$0PERI:(DE-600)1459122-4$$a10.1007/s00216-023-04658-y$$gVol. 415, no. 18, p. 4209 - 4220$$n18$$p4209 - 4220$$tAnalytical and bioanalytical chemistry$$v415$$x1618-2642$$y2023
000593878 8564_ $$uhttps://link.springer.com/article/10.1007/s00216-023-04658-y
000593878 8564_ $$uhttps://bib-pubdb1.desy.de/record/593878/files/s00216-023-04658-y.pdf$$yOpenAccess
000593878 8564_ $$uhttps://bib-pubdb1.desy.de/record/593878/files/s00216-023-04658-y.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000593878 909CO $$ooai:bib-pubdb1.desy.de:593878$$pdnbdelivery$$pec_fundedresources$$pVDB$$pdriver$$popen_access$$popenaire
000593878 9101_ $$0I:(DE-588b)2008985-5$$6P:(DE-H253)PIP1018289$$aDeutsches Elektronen-Synchrotron$$b0$$kDESY
000593878 9101_ $$0I:(DE-H253)_CSSB-20140311$$6P:(DE-H253)PIP1018289$$aCentre for Structural Systems Biology$$b0$$kCSSB
000593878 9101_ $$0I:(DE-H253)_CSSB-20140311$$6P:(DE-H253)PIP1032252$$aCentre for Structural Systems Biology$$b1$$kCSSB
000593878 9101_ $$0I:(DE-588)1043621512$$6P:(DE-H253)PIP1032252$$aEuropean XFEL$$b1$$kXFEL.EU
000593878 9101_ $$0I:(DE-588b)2008985-5$$6P:(DE-H253)PIP1011740$$aDeutsches Elektronen-Synchrotron$$b7$$kDESY
000593878 9101_ $$0I:(DE-H253)_CFEL-20120731$$6P:(DE-H253)PIP1011740$$aCentre for Free-Electron Laser Science$$b7$$kCFEL
000593878 9101_ $$0I:(DE-588)1043621512$$6P:(DE-H253)PIP1101212$$aEuropean XFEL$$b8$$kXFEL.EU
000593878 9101_ $$0I:(DE-H253)_CSSB-20140311$$6P:(DE-H253)PIP1101212$$aCentre for Structural Systems Biology$$b8$$kCSSB
000593878 9101_ $$0I:(DE-588)1043621512$$6P:(DE-H253)PIP1022131$$aEuropean XFEL$$b12$$kXFEL.EU
000593878 9101_ $$0I:(DE-588)1043621512$$6P:(DE-HGF)0$$aEuropean XFEL$$b13$$kXFEL.EU
000593878 9101_ $$0I:(DE-H253)_CSSB-20140311$$6P:(DE-H253)PIP1014042$$aCentre for Structural Systems Biology$$b23$$kCSSB
000593878 9131_ $$0G:(DE-HGF)POF4-633$$1G:(DE-HGF)POF4-630$$2G:(DE-HGF)POF4-600$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$aDE-HGF$$bForschungsbereich Materie$$lVon Materie zu Materialien und Leben$$vLife Sciences – Building Blocks of Life: Structure and Function$$x0
000593878 9141_ $$y2023
000593878 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000593878 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000593878 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz$$d2023-08-25$$wger
000593878 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bANAL BIOANAL CHEM : 2022$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2023-08-25
000593878 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2023-08-25
000593878 9201_ $$0I:(DE-H253)CSSB-LIV_DESY-CU-20220525$$kCSSB-LIV/DESY-CU$$lCSSB - Leibniz-Institut für Experimentelle Virologie (LIV) / DESY - Charlotte Uetrecht$$x0
000593878 9201_ $$0I:(DE-H253)CFEL-I-20161114$$kCFEL-I$$lFS-CFEL-1 (Group Leader: Henry Chapman)$$x1
000593878 980__ $$ajournal
000593878 980__ $$aVDB
000593878 980__ $$aUNRESTRICTED
000593878 980__ $$aI:(DE-H253)CSSB-LIV_DESY-CU-20220525
000593878 980__ $$aI:(DE-H253)CFEL-I-20161114
000593878 9801_ $$aFullTexts