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@ARTICLE{Shen:610715,
      author       = {Shen, Zhou and Paulraj, Lourdu Xavier and Bean, Richard and
                      Bielecki, Johan and Bergemann, Martin and Daurer, Benedikt
                      and Ekeberg, Tomas and Estillore, Armando D. and Fangohr,
                      Hans and Giewekemeyer, Klaus and Karnevskiy, Mikhail and
                      Kirian, Richard and Kirkwood, Henry and Kim, Yoonhee and
                      Koliyadu, Jayanath and Lange, Holger and Letrun, Romain and
                      Lübke, Jannik and Mall, Abhishek and Michelat, Thomas and
                      Morgan, Andrew J. and Roth, Nils and Samanta, Amit K. and
                      Sato, Tokushi and Sikorski, Marcin and Schulz, Florian and
                      Vagovic, Patrik and Wollweber, Tamme and Worbs, Lena and
                      Maia, Filipe and Horke, Daniel Alfred and Küpper, Jochen
                      and Mancuso, Adrian and Chapman, Henry N. and Ayyer, Kartik
                      and Loh, Duane},
      title        = {{R}esolving {N}onequilibrium {S}hape {V}ariations among
                      {M}illions of {G}old {N}anoparticles},
      journal      = {ACS nano},
      volume       = {18},
      number       = {24},
      issn         = {1936-0851},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PUBDB-2024-04692, arXiv:2401.04896},
      pages        = {15576-15589},
      year         = {2024},
      abstract     = {Nanoparticles, exhibiting functionally relevant structural
                      heterogeneity, are at the forefront of cutting-edge
                      research. Now, high-throughput single-particle imaging (SPI)
                      with X-ray free-electron lasers (XFELs) creates
                      opportunities for recovering the shape distributions of
                      millions of particles that exhibit functionally relevant
                      structural heterogeneity. To realize this potential, three
                      challenges have to be overcome: (1) simultaneous
                      parametrization of structural variability in real and
                      reciprocal spaces; (2) efficiently inferring the latent
                      parameters of each SPI measurement; (3) scaling up
                      comparisons between 10$^5$ structural models and 10$^6$
                      XFEL-SPI measurements. Here, we describe how we overcame
                      these three challenges to resolve the nonequilibrium shape
                      distributions within millions of gold nanoparticles imaged
                      at the European XFEL. These shape distributions allowed us
                      to quantify the degree of asymmetry in these particles,
                      discover a relatively stable “shape envelope” among
                      nanoparticles, discern finite-size effects related to
                      shape-controlling surfactants, and extrapolate
                      nanoparticles’ shapes to their idealized thermodynamic
                      limit. Ultimately, these demonstrations show that XFEL SPI
                      can help transform nanoparticle shape characterization from
                      anecdotally interesting to statistically meaningful.},
      cin          = {CFEL-I / FS-CFEL-CMI / UNI/CUI / UNI/EXP},
      ddc          = {540},
      cid          = {I:(DE-H253)CFEL-I-20161114 /
                      I:(DE-H253)FS-CFEL-CMI-20220405 /
                      $I:(DE-H253)UNI_CUI-20121230$ /
                      $I:(DE-H253)UNI_EXP-20120731$},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / DFG project 390715994 - EXC 2056: CUI: Advanced
                      Imaging of Matter (390715994) / DFG project 194651731 - EXC
                      1074: Hamburger Zentrum für ultraschnelle Beobachtung
                      (CUI): Struktur, Dynamik und Kontrolle von Materie auf
                      atomarer Skala (194651731) / AXSIS - Frontiers in Attosecond
                      X-ray Science: Imaging and Spectroscopy (609920)},
      pid          = {G:(DE-HGF)POF4-631 / G:(GEPRIS)390715994 /
                      G:(GEPRIS)194651731 / G:(EU-Grant)609920},
      experiment   = {EXP:(DE-H253)XFEL-SPB-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:38810115},
      eprint       = {2401.04896},
      howpublished = {arXiv:2401.04896},
      archivePrefix = {arXiv},
      SLACcitation = {$\%\%CITATION$ = $arXiv:2401.04896;\%\%$},
      UT           = {WOS:001235248800001},
      doi          = {10.1021/acsnano.4c00378},
      url          = {https://bib-pubdb1.desy.de/record/610715},
}