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16 results on '"Caleman C"'

1. Femtosecond fragmentation of CS$_2$ after sulfur 1s ionization: interplay between Auger cascade decay, charge delocalization, and nuclear motion

Author

Gr��n��s, O., Mocellin, A., Cardoso, E. S., Burmeister, F., Caleman, C., Bj��rneholm, O., and de Brito, A Naves

Subjects
ddc:530
Abstract

Journal of physics / B 53(24), 244007 (2020). doi:10.1088/1361-6455/abc45d, We present a combined experimental and theoretical study of the fragmentation of molecular CS2 after sulfur 1s Auger cascade decay, consisting of electron���multi-ion coincidence spectra of charged fragments and theoretical simulations combining density functional theory and molecular dynamics. On the experimental side, a procedure for a complete determination of all sets of ions formed is described. For many of the fragmentation channels, we observed a higher charge in one of the sulfur atoms than the other atoms. Based on these observations and the theoretical simulations where the time scale of the nuclear motion and decay is taken into account, we propose that KLL Auger decay after the 1s core hole creation, via 2p double hole states, results in highly charged and strongly repulsive states with one localized core hole. These localized core holes are sufficiently long-lived that some will decay after fragmentation of the molecular ion, thereby efficiently impeding charge exchange between the fragments., Published by IOP Publ., Bristol

Published
2020
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2. Native inhibition of Trypanosoma brucei cathepsin B revealed by an X-ray laser at 2.1 \u01fa resolution

Author

Redecke L, Nass K, DePonte DP, White TA, Rehders D, Barty A, Stellato F, Liang M, Barends TRM, Boutet S, Williams GJ, Messerschmidt M, Seibert MM, Aquila A, Arnlund D, Bajt S, Barth T, Bogan MJ, Caleman C, Chao T, Doak RB, Fleckenstein H, Frank M, Fromme R, Galli L, Grotjohann I, Hunter MS, Johansson LC, Kassemeyer S, Katona G, Kirian R, Koopmann R, Kupitz C, Lomb L, Martin AV, Mogk S, Neutze R, Shoeman RL, Steinbrener J, Timneanu N, Wang D, Weierstall U, Zatsepin NA, Spence JCH, Fromme P, and Schlichting I

Published
2013

3. Self-terminating diffraction gates femtosecond X-ray nanocrystallography measurements

Author

Barty, A, Caleman, C, Aquila, A, Timneanu, N, Lomb, L, White, TA, Andreasson, J, Arnlund, D, Bajt, S, Barends, TRM, Barthelmess, M, Bogan, MJ, Bostedt, C, Bozek, JD, Coffee, R, Coppola, N, Davidsson, J, DePonte, DP, Doak, RB, Ekeberg, T, Elser, V, Epp, SW, Erk, B, Fleckenstein, H, Foucar, L, Fromme, P, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, CY, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, MS, Johansson, L, Kassemeyer, S, Kimmel, N, and Kirian

Published
2012

4. Time-resolved protein nanocrystallography using an X-ray free-electron laser

Author

Aquila, A, Hunter, MS, Doak, RB, Kirian, RA, Fromme, P, White, TA, Andreasson, J, Arnlund, D, Bajt, S, Barends, TRM, Barthelmess, M, Bogan, MJ, Bostedt, C, Bottin, H, Bozek, JD, Caleman, C, Coppola, N, Davidsson, J, DePonte, DP, Elser, V, Epp, SW, Erk, B, Fleckenstein, H, Foucar, L, Frank, M, Fromme, R, Graafsma, H, Grotjohann, I, Gumprecht, L, Hajdu, J, Hampton, CY, Hartmann, A, Hartmann, R, Hauriege, S, Hauser, G, Hirsemann, H, Holl, P, Holton, JM, Homke, A, and Johansso

Published
2012

5. Lipidic phase membrane protein serial femtosecond crystallography

Author

Johansson, LC, Arnlund, D, White, TA, Katona, G, DePonte, DP, Weierstall, U, Doak, RB, Shoeman, RL, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, MN, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, MJ, Bostedt, C, Bozek, JD, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, SW, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, CY, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, MS, and Kassem

Published
2012

6. High-Resolution Protein Structure Determination by Serial Femtosecond Crystallography

Author

Boutet S, Lomb L, Williams GJ, Barends TRM, Aquila A, Doak RB, Weierstall U, DePonte DP, Steinbrener J, Shoeman RL, Messerschmidt M, Barty A, White TA, Kassemeyer S, Kirian RA, Seibert MM, Montanez PA, Kenney C, Herbst R, Hart P, Pines J, Haller G, Gruner SM, Philipp HT, Tate MW, Hromalik M, Koerner LJ, van Bakel N, Morse J, Ghonsalves W, Arnlund D, Bogan MJ, Caleman C, Fromme R, Hampton CY, Hunter MS, Johansson LC, Katona G, Kupitz C, Liang MN, Martin AV, Nass K, Redecke L, Stellato F, Timneanu N, and Wang DJ

Published
2012

7. TOF-OFF: A method for determining focal positions in tightly focused free-electron laser beams by measuring ion energies off a surface

Author

Iwan, B, Andreasson, J, Andrejczuk, A, Abreu, E, Bergh, M, Caleman, C, Nelson, A. J, Bajt, S, Chalupsky, J, Chapman, H. N, Fxe4ustlin, R. R, Hajkova, V, Heimann, P. A, Hjxf6rvarsson, B, Juha, L, Klinger, D, Krzywinski, J, Nagler, B, Palsson, G. K, Singer, W, Seibert, M. M, Sobierajski, R, Toleikis, S, Tschentscher, T, Vinko, S. M, Lee, R. W, and Hajdu, J, Timneanu, N

Published
2011

8. Single Mimivirus particles intercepted and imaged with an X-ray laser

Author

Seibert, M.M, Ekeberg, T, Maia, F.R.N.C, Svenda, M, Andreasson, J, Jxf6nsson, O, Odić, D, Iwan, B, Rocker, A, Westphal, D, Hantke, M, DePonte, D.P, Barty, A, Schulz, J, Gumprecht, L, Coppola, N, Aquila, A, Liang, M, White, T.A. Martin, A, Caleman, C, Stern, S, Abergel, C.C, Seltzer, V, Claverie, J-M, Bostedt, John D. C, Bozek, J.D, Boutet, S, Miahnahri, A.A, Messerschmidt, M, Krzywinski, J, Williams, G, Hodgson, K.O, Bogan, M.J, Hampton, C.Y, Sierra, R, Starodub, D, and Anderss

Published
2011

9. Femtosecond X-ray protein nanocrystallography

Author

Chapman, H.N, Fromme, P, Barty, A, White, T, Kirian, R.A, Aquila, A, Hunter, S.M, Schulz, J, DePonte, D.P. Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Hxf6mke, A, Reich, C, and Pietschn

Published
2011

10. Radiation Damage in Protein Serial Femtosecond Crystallography using an X-ray Free-electron Laser

Author

Lomb L, Barends TRM, Kassemeyer S, Aquila A, Epp SW, Erk B, Foucar L, Hartmann R, Rudek B, Rolles D, Rudenko A, Shoeman RL, Andreasson J, Bajt S, Barthelmess M, Barty A, Bogan MJ, Bostedt C, Bozek JD, Caleman C, Coffee R, Coppola N, DePonte DP, Doak RB, Ekeberg T, Fleckenstein H, Fromme P, Gebhardt M, Graafsma H, Gumprecht L, Hampton CY, Hartmann A, Hauser G, Hirsemann H, Holl P, Holton JM, Hunter MS, Kabsch W, Kimmel N, Kirian RA, Liang M, Maia FRNC, Meinhart A, Marchesini S, Martin AV, Nass K, and Reich C

Published
2011

11. On the feasibility of nanocrystal imaging using intense and ultrashort 1.5 {\AA} X-ray pulses

Author

Caleman, C., Huldt, G., Maia, F. R. N. C., Ortiz, C., Parak, F. G., Hajdu, J., van der Spoel, D., Chapman, H. N., and Timneanu, N.

Subjects
Physics - Biological Physics, Physics - Computational Physics
Abstract

Structural studies of biological macromolecules are severely limited by radiation damage. Traditional crystallography curbs the effects of damage by spreading damage over many copies of the molecule of interest. X-ray lasers, such as the recently built LINAC Coherent Light Source (LCLS), offer an additional opportunity for limiting damage by out-running damage processes with ultrashort and very intense X-ray pulses. Such pulses may allow the imaging of single molecules, clusters or nanoparticles, but coherent flash imaging will also open up new avenues for structural studies on nano- and micro-crystalline substances. This paper addresses the theoretical potentials and limitations of nanocrystallography with extremely intense coherent X-ray pulses. We use urea nanocrystals as a model for generic biological substances and simulate primary and secondary ionization dynamics in the crystalline sample. Our results establish conditions for ultrafast nanocrystallography diffraction experiments as a function of fluence and pulse duration., Comment: 6 pages, 4 color figures

Published
2010

12. On the feasibility of nanocrystal imaging using intense and ultrashort 1.5 �� X-ray pulses

Author

Caleman, C., Huldt, G., Maia, F. R. N. C., Ortiz, C., Parak, F. G., Hajdu, J., van der Spoel, D., Chapman, H. N., and Timneanu, N.

Subjects
Biological Physics (physics.bio-ph), FOS: Physical sciences, Computational Physics (physics.comp-ph)
Abstract

Structural studies of biological macromolecules are severely limited by radiation damage. Traditional crystallography curbs the effects of damage by spreading damage over many copies of the molecule of interest. X-ray lasers, such as the recently built LINAC Coherent Light Source (LCLS), offer an additional opportunity for limiting damage by out-running damage processes with ultrashort and very intense X-ray pulses. Such pulses may allow the imaging of single molecules, clusters or nanoparticles, but coherent flash imaging will also open up new avenues for structural studies on nano- and micro-crystalline substances. This paper addresses the theoretical potentials and limitations of nanocrystallography with extremely intense coherent X-ray pulses. We use urea nanocrystals as a model for generic biological substances and simulate primary and secondary ionization dynamics in the crystalline sample. Our results establish conditions for ultrafast nanocrystallography diffraction experiments as a function of fluence and pulse duration., 6 pages, 4 color figures

Published
2010
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13. Observation of Structural Anisotropy and the Onset of Liquidlike Motion During the Nonthermal Melting of InSb. Physical Review Letter

Author

Gaffney, K., Lindenberg, A., Larsson, J., Sokolowski-Tinten, K., Blome, C., Synnergren, O., Sheppard, J., Caleman, C., MacPhee, A., Weinstein, D., Lowney, D., Allison, T., Matthews, T., Falcone, R., Cavalieri, A., Fritz, D., Lee, S., Bucksbaum, P., Reis, D., Rudati, J., Macrander, A., Fuoss, P., Kao, C., Siddons, D., Pahl, R., Moffat, K., Als-Nielsen, J., Düsterer, S., Ischebeck, R., Schlarb, H., Schulte-Schrepping, H., Schneider, J., von der Linde, D., Hignette, O., Sette, F., Chapman, H., Lee, R., Hansen, T., Wark, J., Bergh, M., Huldt, G., van der Spoel, D., Timneanu, N., Hajdu, J., Akre, R., Bong, E., Krejcik, P., Arthur, J., Brennan, S., Luening, K., and Hastings, J.

Subjects
ddc:550
Published
2005
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14. Qultrafast coherent diffraction imaging with X-ray free-electron lasers

Author

Chapman, H. N., Sasa Bajt, Barty, A., Benner, W. H., Bogan, M. J., Frank, M., Hau-Riege, S. P., London, R. A., Marchesini, S., Spiller, E., Szöke, A., Woods, B. W., Hajdu, J., Bergh, M., Burmeister, F., Caleman, C., Huldt, G., Maia, F. R. N. C., Seibert, M. M., Spoel, D., Uppsala, U., Boutet, S., Hodgson, K. O., and Shapiro, D. A.

16. Femtosecond phase-transition in hard x-ray excited bismuth

Author

Makita, M., Vartiainen, I., Mohacsi, I., Caleman, C., Diaz, A., Jönsson, H. O., Juranić, P., Medvedev, N., Meents, A., Mozzanica, A., Opara, N. L., Padeste, C., Panneels, V., Saxena, V., Sikorski, M., Song, S., Vera, L., Willmott, P. R., Beaud, P., Milne, C. J., Ziaja-Motyka, B., and David, C.

Subjects
3. Good health
Abstract

Scientific reports 9(1), 602 (2019). doi:10.1038/s41598-018-36216-3, The evolution of bismuth crystal structure upon excitation of its $A_{1g}$ phonon has been intensely studied with short pulse optical lasers. Here we present the first-time observation of a hard x-ray induced ultrafast phase transition in a bismuth single crystal at high intensities $(~10^{14} W/cm^2 ).$ The lattice evolution was followed using a recently demonstrated x-ray single-shot probing setup. The time evolution of the (111) Bragg peak intensity showed strong dependence on the excitation fluence. After exposure to a sufficiently intense x-ray pulse, the peak intensity dropped to zero within 300 fs, i.e. faster than one oscillation period of the $A_{1g}$ mode at room temperature. Our analysis indicates a nonthermal origin of a lattice disordering process, and excludes interpretations based on electron-ion equilibration process, or on thermodynamic heating process leading to plasma formation., Published by Springer Nature, Cham

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