Publications

  • Garratt D, Das SK, Nelson KJ, Harich J, Freibert A, Bacellar C, et al.
    Influence of substitution pattern on the dynamics of internal conversion and intersystem crossing in thiopyridone isomers
    Physical Chemistry Chemical Physics. 2025; 27(31): 16371-16382. https://doi.org/10.1039/d5cp01456e
    DORA PSI
  • Lim H, Yang X, Larsen CB, Ledbetter K, Zoric MR, Raj SL, et al.
    Excited state covalency, dynamics, and photochemistry of square planar ni-thiolate complexes revealed by ultrafast X-ray absorption
    Journal of the American Chemical Society. 2025; 147(9): 7496-7506. https://doi.org/10.1021/jacs.4c16212
    DORA PSI
  • Wach A, Bericat-Vadell R, Bacellar C, Cirelli C, Johnson PJM, Castillo RG, et al.
    The dynamics of plasmon-induced hot carrier creation in colloidal gold
    Nature Communications. 2025; 16(1): 2274 (12 pp.). https://doi.org/10.1038/s41467-025-57657-1
    DORA PSI
  • Banerjee A, Jay RM, Leitner T, Wang RP, Harich J, Stefanuik R, et al.
    Accessing metal-specific orbital interactions in C-H activation with resonant inelastic X-ray scattering
    Chemical Science. 2024; 15(7): 2398-2409. https://doi.org/10.1039/d3sc04388f
    DORA PSI
  • Barends TRM, Gorel A, Bhattacharyya S, Schirò G, Bacellar C, Cirelli C, et al.
    Influence of pump laser fluence on ultrafast myoglobin structural dynamics
    Nature. 2024; 626(8000): 905-911. https://doi.org/10.1038/s41586-024-07032-9
    DORA PSI
  • Bertrand Q, Nogly P, Nango E, Kekilli D, Khusainov G, Furrer A, et al.
    Structural effects of high laser power densities on an early bacteriorhodopsin photocycle intermediate
    Nature Communications. 2024; 15: 10278 (11 pp.). https://doi.org/10.1038/s41467-024-54422-8
    DORA PSI
  • Cellini A, Shankar MK, Nimmrich A, Hunt LA, Monrroy L, Mutisya J, et al.
    Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography
    Nature Chemistry. 2024; 16: 624-632. https://doi.org/10.1038/s41557-023-01413-9
    DORA PSI
  • Juranić P, Cirelli C, Mamyrbayev T, Uemura Y, Vila-Comamala J, Lima FA, et al.
    Transient X‐ray absorption near edge structure spectroscopy using broadband free‐electron laser pulses
    Small Methods. 2024; 8(8): 2301328 (7 ppp.). https://doi.org/10.1002/smtd.202301328
    DORA PSI
  • Bacellar C, Rouxel JR, Ingle RA, Mancini GF, Kinschel D, Cannelli O, et al.
    Ultrafast energy transfer from photoexcited tryptophan to the haem in cytochrome c
    Journal of Physical Chemistry Letters. 2023; 14(9): 2425-2432. https://doi.org/10.1021/acs.jpclett.3c00218
    DORA PSI
  • Christou N-E, Apostolopoulou V, Melo DVM, Ruppert M, Fadini A, Henkel A, et al.
    Time-resolved crystallography captures light-driven DNA repair
    Science. 2023; 382(6674): 1015-1020. https://doi.org/10.1126/science.adj4270
    DORA PSI
  • Gruhl T, Weinert T, Rodrigues MJ, Milne CJ, Ortolani G, Nass K, et al.
    Ultrafast structural changes direct the first molecular events of vision
    Nature. 2023; 615: 939-944. https://doi.org/10.1038/s41586-023-05863-6
    DORA PSI
  • Jay RM, Banerjee A, Leitner T, Wang R-P, Harich J, Stefanuik R, et al.
    Tracking C-H activation with orbital resolution
    Science. 2023; 380(6648): 955-960. https://doi.org/10.1126/science.adf8042
    DORA PSI
  • Maestre-Reyna M, Wang P-H, Nango E, Hosokawa Y, Saft M, Furrer A, et al.
    Visualizing the DNA repair process by a photolyase at atomic resolution
    Science. 2023; 382(6674): eadd7795 (14 pp.). https://doi.org/10.1126/science.add7795
    DORA PSI
  • Reiche S, Bacellar C, Bougiatioti P, Cirelli C, Dijkstal P, Ferrari E, et al.
    Frequency and spatially chirped free-electron laser pulses
    Physical Review Research. 2023; 5(2): L022009 (7 pp.). https://doi.org/10.1103/PhysRevResearch.5.L022009
    DORA PSI
  • Rodrigues MJ, Casadei CM, Weinert T, Panneels V, Schertler GFX
    Correction of rhodopsin serial crystallography diffraction intensities for a lattice-translocation defect
    Acta Crystallographica Section D: Structural Biology. 2023; 79(3): D79 (10 pp.). https://doi.org/10.1107/S2059798323000931
    DORA PSI
  • Wranik M, Kepa MW, Beale EV, James D, Bertrand Q, Weinert T, et al.
    A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers
    Nature Communications. 2023; 14(1): 7956 (12 pp.). https://doi.org/10.1038/s41467-023-43523-5
    DORA PSI
  • Wranik M, Weinert T, Slavov C, Masini T, Furrer A, Gaillard N, et al.
    Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography
    Nature Communications. 2023; 14(1): 903 (12 pp.). https://doi.org/10.1038/s41467-023-36481-5
    DORA PSI
  • Bacellar C, Chergui M
    Ultrafast X-ray spectroscopy of haem proteins
    Chimia. 2022; 76(6): 538-545. https://doi.org/10.2533/chimia.2022.538
    DORA PSI
  • Båth P, Banacore A, Börjesson P, Bosman R, Wickstrand C, Safari C, et al.
    Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre
    Acta Crystallographica Section D: Structural Biology. 2022; 78(6): 698-708. https://doi.org/10.1107/S2059798322004144
    DORA PSI
  • Jay RM, Banerjee A, Leitner T, Stefanuik R, Wang R-P, Harich J, et al.
    From femtosecond excited-state and dissociation dynamics to nanosecond reaction kinetics: following C-H bond activation with X-rays
    In: Proceedings the international conference on ultrafast phenomena (UP) 2022. International conference on ultrafast phenomena. Optica Publishing Group; 2022:(2 pp.). https://doi.org/10.1364/UP.2022.Tu1A.2
    DORA PSI
  • Mous S, Gotthard G, Ehrenberg D, Sen S, Weinert T, Johnson PJM, et al.
    Dynamics and mechanism of a light-driven chloride pump
    Science. 2022; 375(6583): 845-851. https://doi.org/10.1126/science.abj6663
    DORA PSI
  • Vogt M, Smolentsev G
    Time-resolved X-ray spectroscopy to study luminophores with relevance for OLEDs
    ChemPhotoChem. 2022; 6(5): e202100180 (12 pp.). https://doi.org/10.1002/cptc.202100180
    DORA PSI
  • Bacellar C, Kinschel D, Cannelli O, Sorokin B, Katayama T, Mancini GF, et al.
    Femtosecond X-ray spectroscopy of haem proteins
    Faraday Discussions. 2021; 228: 312-328. https://doi.org/10.1039/d0fd00131g
    DORA PSI
  • David C, Seniutinas G, Makita M, Rösner B, Rehanek J, Karvinen P, et al.
    Spectral monitoring at SwissFEL using a high-resolution on-line hard X-ray single-shot spectrometer
    Journal of Synchrotron Radiation. 2021; 28: 1978-1984. https://doi.org/10.1107/S1600577521009619
    DORA PSI
  • Nass K, Bacellar C, Cirelli C, Dworkowski F, Gevorkov Y, James D, et al.
    Pink-beam serial femtosecond crystallography for accurate structure-factor determination at an X-ray free-electron laser
    IUCrJ. 2021; 8: 905-920. https://doi.org/10.1107/S2052252521008046
    DORA PSI
  • Bacellar C, Kinschel D, Mancini GF, Ingle RA, Rouxel J, Cannelli O, et al.
    Heme doming in ferric Cytochrome c: femtosecond X-ray absorption and X-ray emission studies
    In: The 22nd international conference on ultrafast phenomena 2020. International conference on ultrafast phenomena. Conference proceedings 2000-2020. Washington, D.C.: OSA; 2020:Th1A.2 (3 pp.). https://doi.org/10.1364/UP.2020.Th1A.2
    DORA PSI
  • Bacellar C, Kinschel D, Mancini GF, Ingle RA, Rouxel J, Cannelli O, et al.
    Spin cascade and doming in ferric hemes: femtosecond X-ray absorption and X-ray emission studies
    Proceedings of the National Academy of Sciences of the United States of America PNAS. 2020; 117(36): 21914-21920. https://doi.org/10.1073/pnas.2009490117
    DORA PSI
  • Fadini A, Reiche S, Nass K, van Thor JJ
    Applications and limits of time-to-energy mapping of protein crystal diffraction using energy-chirped polychromatic XFEL pulses
    Applied Sciences. 2020; 10(7): 2599 (18 pp.). https://doi.org/10.3390/app10072599
    DORA PSI
  • Nass K, Cheng R, Vera L, Mozzanica A, Redford S, Ozerov D, et al.
    Advances in long-wavelength native phasing at X-ray free-electron lasers
    IUCrJ. 2020; 7: 965-975. https://doi.org/10.1107/S2052252520011379
    DORA PSI
  • Poulter BI, Biasin E, Liekhus-Schmaltz C, Arrell C, Augustin S, Cirelli C, et al.
    Ultrafast charge transfer and electron delocalization in a cyanide-bridged Ru-Ru dimer investigated with femtosecond transient X-ray and IR spectroscopies
    In: International conference on ultrafast phenomena. International conference on ultrafast phenomena. Conference proceedings 2000-2020. Washington, D.C.: OSA; 2020:Th1A.4 (3 pp.). https://doi.org/10.1364/UP.2020.Th1A.4
    DORA PSI
  • Prat E, Abela R, Aiba M, Alarcon A, Alex J, Arbelo Y, et al.
    A compact and cost-effective hard X-ray free-electron laser driven by a high-brightness and low-energy electron beam
    Nature Photonics. 2020; 14: 748-754. https://doi.org/10.1038/s41566-020-00712-8
    DORA PSI
  • Skopintsev P, Ehrenberg D, Weinert T, James D, Kar RK, Johnson PJM, et al.
    Femtosecond-to-millisecond structural changes in a light-driven sodium pump
    Nature. 2020; 583: 314-318. https://doi.org/10.1038/s41586-020-2307-8
    DORA PSI
  • Smolentsev G, Milne CJ, Guda A, Haldrup K, Szlachetko J, Azzaroli N, et al.
    Taking a snapshot of the triplet excited state of an OLED organometallic luminophore using X-rays
    Nature Communications. 2020; 11: 2131 (9 pp.). https://doi.org/10.1038/s41467-020-15998-z
    DORA PSI
  • Spielmann S, Flechsig U, Thominet V, Follath R, Krempasky J, Wagner U, et al.
    Mirror systems for SwissFEL, from concept to commissioning with x-rays
    In: Gwo S, Huang D-J, Wei D-H, eds. Proceedings of the 13th international conference on synchrotron radiation instrumentation - SRI2018. Vol. 2054. AIP conference proceedings. AIP Publishing; 2019:060001 (5 pp.). https://doi.org/10.1063/1.5084632
    DORA PSI
  • Svetina C, Mankowsky R, Knopp G, Koch F, Seniutinas G, Rösner B, et al.
    Towards X-ray transient grating spectroscopy
    Optics Letters. 2019; 44(3): 574-577. https://doi.org/10.1364/OL.44.000574
    DORA PSI
  • Rehanek J, Milne CJ, Szlachetko J, Czapla-Masztafiak J, Schneider J, Huthwelker T, et al.
    A compact and versatile tender X-ray single-shot spectrometer for online XFEL diagnostics
    Journal of Synchrotron Radiation. 2018; 25(1): 16-19. https://doi.org/10.1107/S1600577517012796
    DORA PSI
  • Abela R, Beaud P, van Bokhoven JA, Chergui M, Feurer T, Haase J, et al.
    Perspective: opportunities for ultrafast science at SwissFEL
    Structural Dynamics. 2017; 4(6): 61602 (25 pp.). https://doi.org/10.1063/1.4997222
    DORA PSI
  • Milne CJ, Beaud P, Deng Y, Erny C, Follath R, Flechsig U, et al.
    Opportunities for chemistry at the SwissFEL X-ray free electron laser
    Chimia. 2017; 71(5): 299-307. https://doi.org/10.2533/chimia.2017.299
    DORA PSI
  • Orlandi GL, Ischebeck R, Ozkan Loch C, Schlott V, Ferianis M, Penco G
    Design and experimental tests of the SwissFEL wire-scanners
    In: Costa I, Iriso U, Pérez F, Schaa VRW, eds. International beam instrumentation conference. IBIC. Vol. 5. International beam instrumentation conference. Geneva, Switzerland: JACoW Publishing; 2017:225-228. https://doi.org/10.18429/JACoW-IBIC2016-MOPG66
    DORA PSI
  • Seddon EA, Clarke JA, Dunning DJ, Masciovecchio C, Milne CJ, Parmigiani F, et al.
    Short-wavelength free-electron laser sources and science: a review
    Reports on Progress in Physics. 2017; 80(11): 115901 (73 pp.). https://doi.org/10.1088/1361-6633/aa7cca
    DORA PSI
  • Szlachetko J, Nachtegaal M, Grolimund D, Knopp G, Peredkov S, Czapla-Masztafiak J, et al.
    A dispersive inelastic X-ray scattering spectrometer for use at X-ray free electron lasers
    Applied Sciences. 2017; 7(9): 899 (10 pp.). https://doi.org/10.3390/app7090899
    DORA PSI