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Andreasson, Jakob
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Publications (10 of 31) Show all publications
Mühlig, K., Ganan-Calvo, A. M., Andreasson, J., Larsson, D. S., Hajdu, J. & Svenda, M. (2019). Nanometre-sized droplets from a gas dynamic virtual nozzle. Journal of applied crystallography, 52, 800-808
Open this publication in new window or tab >>Nanometre-sized droplets from a gas dynamic virtual nozzle
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2019 (English)In: Journal of applied crystallography, ISSN 0021-8898, E-ISSN 1600-5767, Vol. 52, p. 800-808Article in journal (Refereed) Published
Abstract [en]

This paper reports on improved techniques to create and characterize nanometre-sized droplets from dilute aqueous solutions by using a gas dynamic virtual nozzle (GDVN). It describes a method to measure the size distribution of uncharged droplets, using an environmental scanning electron microscope, and provides theoretical models for the droplet sizes created. The results show that droplet sizes can be tuned by adjusting the gas and liquid flow rates in the GDVN, and at the lowest liquid flow rates, the size of the water droplets peaks at about 120nm. This droplet size is similar to droplet sizes produced by electrospray ionization but requires neither electrolytes nor charging of the solution. The results presented here identify a new operational regime for GDVNs and show that predictable droplet sizes, comparable to those obtained by electrospray ionization, can be produced by purely mechanical means in GDVNs.

Place, publisher, year, edition, pages
INT UNION CRYSTALLOGRAPHY, 2019
Keywords
aerosols, droplet size, gas dynamic virtual nozzles (GDVNs), environmental scanning electron microscopy, coherent X-ray diffractive imaging (CXDI), single particles, sample delivery, structural biology, nanoscience
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-391281 (URN)10.1107/S1600576719008318 (DOI)000477717400013 ()
Funder
Swedish Research CouncilKnut and Alice Wallenberg FoundationEU, European Research Council
Available from: 2019-08-22 Created: 2019-08-22 Last updated: 2019-08-22Bibliographically approved
Pietrini, A., Bielecki, J., Timneanu, N., Hantke, M. F., Andreasson, J., Loh, N. D., . . . Nettelblad, C. (2018). A statistical approach to detect protein complexes at X-ray free electron laser facilities. Communications Physics, 1, 92:1-11, Article ID 92.
Open this publication in new window or tab >>A statistical approach to detect protein complexes at X-ray free electron laser facilities
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2018 (English)In: Communications Physics, E-ISSN 2399-3650, Vol. 1, p. 92:1-11, article id 92Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-369876 (URN)10.1038/s42005-018-0092-6 (DOI)000452676300003 ()
Projects
eSSENCE
Available from: 2018-12-07 Created: 2018-12-17 Last updated: 2019-05-06Bibliographically approved
Lundholm, I. V., Sellberg, J. A., Ekeberg, T., Hantke, M. F., Okamoto, K., van der Schot, G., . . . Maia, F. R. N. (2018). Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging. IUCrJ, 5, 531-541
Open this publication in new window or tab >>Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging
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2018 (English)In: IUCrJ, ISSN 0972-6918, E-ISSN 2052-2525, Vol. 5, p. 531-541Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-360034 (URN)10.1107/S2052252518010047 (DOI)000444010100003 ()
Projects
eSSENCE
Available from: 2018-09-01 Created: 2018-09-09 Last updated: 2019-07-01Bibliographically approved
Gorkhover, T., Ulmer, A., Ferguson, K., Bucher, M., Maia, F. R. N., Bielecki, J., . . . Bostedt, C. (2018). Femtosecond X-ray Fourier holography imaging of free-flying nanoparticles [Letter to the editor]. Nature Photonics, 12, 150-153
Open this publication in new window or tab >>Femtosecond X-ray Fourier holography imaging of free-flying nanoparticles
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2018 (English)In: Nature Photonics, ISSN 1749-4885, E-ISSN 1749-4893, Vol. 12, p. 150-153Article in journal, Letter (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-345590 (URN)10.1038/s41566-018-0110-y (DOI)000426153800014 ()
Projects
eSSENCE
Available from: 2018-02-26 Created: 2018-03-09 Last updated: 2019-07-01Bibliographically approved
Wiedorn, M. O., Oberthuer, D., Bean, R., Schubert, R., Werner, N., Abbey, B., . . . Barty, A. (2018). Megahertz serial crystallography. Nature Communications, 9, Article ID 4025.
Open this publication in new window or tab >>Megahertz serial crystallography
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2018 (English)In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 9, article id 4025Article in journal (Refereed) Published
Abstract [en]

The new European X-ray Free-Electron Laser is the first X-ray free-electron laser capable of delivering X-ray pulses with a megahertz inter-pulse spacing, more than four orders of magnitude higher than previously possible. However, to date, it has been unclear whether it would indeed be possible to measure high-quality diffraction data at megahertz pulse repetition rates. Here, we show that high-quality structures can indeed be obtained using currently available operating conditions at the European XFEL. We present two complete data sets, one from the well-known model system lysozyme and the other from a so far unknown complex of a beta-lactamase from K. pneumoniae involved in antibiotic resistance. This result opens up megahertz serial femtosecond crystallography (SFX) as a tool for reliable structure determination, substrate screening and the efficient measurement of the evolution and dynamics of molecular structures using megahertz repetition rate pulses available at this new class of X-ray laser source.

Place, publisher, year, edition, pages
Nature Publishing Group, 2018
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-367393 (URN)10.1038/s41467-018-06156-7 (DOI)000446016400003 ()30279492 (PubMedID)
Funder
EU, European Research Council, 609920Wellcome trustGerman Research Foundation (DFG)
Available from: 2018-12-04 Created: 2018-12-04 Last updated: 2018-12-04Bibliographically approved
Hantke, M. F., Bielecki, J., Kulyk, O., Westphal, D., Larsson, D. S. D., Svenda, M., . . . Maia, F. R. .. (2018). Rayleigh-scattering microscopy for tracking and sizing nanoparticles in focused aerosol beams. IUCrJ, 5, 673-680
Open this publication in new window or tab >>Rayleigh-scattering microscopy for tracking and sizing nanoparticles in focused aerosol beams
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2018 (English)In: IUCrJ, ISSN 0972-6918, E-ISSN 2052-2525, Vol. 5, p. 673-680Article in journal (Refereed) Published
Abstract [en]

Ultra-bright femtosecond X-ray pulses generated by X-ray free-electron lasers (XFELs) can be used to image high-resolution structures without the need for crystallization. For this approach, aerosol injection has been a successful method to deliver 70-2000 nm particles into the XFEL beam efficiently and at low noise. Improving the technique of aerosol sample delivery and extending it to single proteins necessitates quantitative aerosol diagnostics. Here a lab-based technique is introduced for Rayleigh-scattering microscopy allowing us to track and size aerosolized particles down to 40 nm in diameter as they exit the injector. This technique was used to characterize the 'Uppsala injector', which is a pioneering and frequently used aerosol sample injector for XFEL single-particle imaging. The particle-beam focus, particle velocities, particle density and injection yield were measured at different operating conditions. It is also shown how high particle densities and good injection yields can be reached for large particles (100-500 nm). It is found that with decreasing particle size, particle densities and injection yields deteriorate, indicating the need for different injection strategies to extend XFEL imaging to smaller targets, such as single proteins. This work demonstrates the power of Rayleigh-scattering microscopy for studying focused aerosol beams quantitatively. It lays the foundation for lab-based injector development and online injection diagnostics for XFEL research. In the future, the technique may also find application in other fields that employ focused aerosol beams, such as mass spectrometry, particle deposition, fuel injection and three-dimensional printing techniques.

Keywords
Rayleigh scattering, XFELs, aerosol injection, Uppsala injectors, nanoparticles
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-369603 (URN)10.1107/S2052252518010837 (DOI)000448982300005 ()30443352 (PubMedID)
Funder
Swedish Research CouncilSwedish Foundation for Strategic Research
Note

Max F. Hantke and Johan Bielecki contributed equally to this work.

Available from: 2018-12-18 Created: 2018-12-18 Last updated: 2018-12-18Bibliographically approved
Naumova, M., Khakhulin, D., Rebarz, M., Rohrmueller, M., Dicke, B., Biednov, M., . . . Ruebhausen, M. (2018). Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(I)-disulfide complex. Physical Chemistry, Chemical Physics - PCCP, 20(9), 6274-6286
Open this publication in new window or tab >>Structural dynamics upon photoexcitation-induced charge transfer in a dicopper(I)-disulfide complex
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2018 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 20, no 9, p. 6274-6286Article in journal (Refereed) Published
Abstract [en]

The structural dynamics of charge-transfer states of nitrogen-ligated copper complexes has been extensively investigated in recent years following the development of pump-probe X-ray techniques. In this study we extend this approach towards copper complexes with sulfur coordination and investigate the influence of charge transfer states on the structure of a dicopper(I) complex with coordination by bridging disulfide ligands and additionally tetramethylguanidine units [CuI2(NSSN)(2)](2+). In order to directly observe and refine the photoinduced structural changes in the solvated complex we applied picosecond pump-probe X-ray absorption spectroscopy (XAS) and wide-angle X-ray scattering (WAXS). Additionally, the ultrafast evolution of the electronic excited states was monitored by femtosecond transient absorption spectroscopy in the UV-Vis probe range. DFT calculations were used to predict molecular geometries and electronic structures of the ground and metal-to-ligand charge transfer states with singlet and triplet spin multiplicities, i.e. S-0, (MLCT)-M-1 and (MLCT)-M-3, respectively. Combining these techniques we elucidate the electronic and structural dynamics of the solvated complex upon photoexcitation to the MLCT states. In particular, femtosecond optical transient spectroscopy reveals three distinct timescales of 650 fs, 10 ps and 4100 ps, which were assigned as internal conversion to the ground state (Sn -> S-0), intersystem crossing (MLCT)-M-1 -> (MLCT)-M-3, and subsequent relaxation of the triplet to the ground state, respectively. Experimental data collected using both X-ray techniques are in agreement with the DFT-predicted structure for the triplet state, where coordination bond lengths change and one of the S-S bridges is cleaved, causing the movement of two halves of the molecule relative to each other. Extended X-ray absorption fine structure spectroscopy resolves changes in Cu-ligand bond lengths with precision on the order of 0.01 angstrom, whereas WAXS is sensitive to changes in the global shape related to relative movement of parts of the molecule. The results presented herein widen the knowledge on the electronic and structural dynamics of photoexcited copper-sulfur complexes and demonstrate the potential of combining the pump-probe X-ray absorption and scattering for studies on photoinduced structural dynamics in copper-based coordination complexes.

Place, publisher, year, edition, pages
Royal Society of Chemistry, 2018
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-352728 (URN)10.1039/c7cp04880g (DOI)000429280100027 ()29431759 (PubMedID)
Funder
European Regional Development Fund (ERDF), CZ.02.1.01/0.0/0.0/15_008/0000162 CZ.02.1.01/0.0/0.0/15_003/0000447
Available from: 2018-06-07 Created: 2018-06-07 Last updated: 2018-06-07Bibliographically approved
Dicke, B., Hoffmann, A., Stanek, J., Rampp, M. S., Grimm-Lebsanft, B., Biebl, F., . . . Herres-Pawlis, S. (2018). Transferring the entatic-state principle to copper photochemistry. Nature Chemistry, 10(3), 355-362
Open this publication in new window or tab >>Transferring the entatic-state principle to copper photochemistry
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2018 (English)In: Nature Chemistry, ISSN 1755-4330, E-ISSN 1755-4349, Vol. 10, no 3, p. 355-362Article in journal (Refereed) Published
Abstract [en]

The entatic state denotes a distorted coordination geometry of a complex from its typical arrangement that generates an improvement to its function. The entatic-state principle has been observed to apply to copper electron-transfer proteins and it results in a lowering of the reorganization energy of the electron-transfer process. It is thus crucial for a multitude of biochemical processes, but its importance to photoactive complexes is unexplored. Here we study a copper complex-with a specifically designed constraining ligand geometry-that exhibits metal-to-ligand charge-transfer state lifetimes that are very short. The guanidine-quinoline ligand used here acts on the bis(chelated) copper(I) centre, allowing only small structural changes after photoexcitation that result in very fast structural dynamics. The data were collected using a multimethod approach that featured time-resolved ultraviolet-visible, infrared and X-ray absorption and optical emission spectroscopy. Through supporting density functional calculations, we deliver a detailed picture of the structural dynamics in the picosecond-to-nanosecond time range.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP, 2018
National Category
Physical Chemistry
Identifiers
urn:nbn:se:uu:diva-348833 (URN)10.1038/NCHEM.2916 (DOI)000425589000018 ()29461525 (PubMedID)
Available from: 2018-04-23 Created: 2018-04-23 Last updated: 2018-04-23Bibliographically approved
Daurer, B. J., Okamoto, K., Bielecki, J., Maia, F. R. N., Mühlig, K., Seibert, M. M., . . . Larsson, D. S. D. (2017). Experimental strategies for imaging bioparticles with femtosecond hard X-ray pulses. IUCrJ, 4, 251-262
Open this publication in new window or tab >>Experimental strategies for imaging bioparticles with femtosecond hard X-ray pulses
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2017 (English)In: IUCrJ, ISSN 0972-6918, E-ISSN 2052-2525, Vol. 4, p. 251-262Article in journal (Refereed) Published
National Category
Biophysics
Identifiers
urn:nbn:se:uu:diva-323439 (URN)10.1107/S2052252517003591 (DOI)000400460500008 ()28512572 (PubMedID)
Projects
eSSENCE
Available from: 2017-04-07 Created: 2017-11-14 Last updated: 2019-07-01Bibliographically approved
Jönsson, H. O., Caleman, C., Andreasson, J. & Timneanu, N. (2017). Hit detection in serial femtosecond crystallography using X-ray spectroscopy of plasma emission. IUCrJ, 4(6), 778-784
Open this publication in new window or tab >>Hit detection in serial femtosecond crystallography using X-ray spectroscopy of plasma emission
2017 (English)In: IUCrJ, ISSN 0972-6918, E-ISSN 2052-2525, Vol. 4, no 6, p. 778-784Article in journal (Refereed) Published
Abstract [en]

Serial femtosecond crystallography is an emerging and promising method for determining protein structures, making use of the ultrafast and bright X-ray pulses from X-ray free-electron lasers. The upcoming X-ray laser sources will produce well above 1000pulses per second and will pose a new challenge: how to quickly determine successful crystal hits and avoid a high-rate data deluge. Proposed here is a hit-finding scheme based on detecting photons from plasma emission after the sample has been intercepted by the X-ray laser. Plasma emission spectra are simulated for systems exposed to high-intensity femtosecond pulses, for both protein crystals and the liquid carrier systems that are used for sample delivery. The thermal radiation from the glowing plasma gives a strong background in the XUV region that depends on the intensity of the pulse, around the emission lines from light elements (carbon, nitrogen, oxygen). Sample hits can be reliably distinguished from the carrier liquid based on the characteristic emission lines from heavier elements present only in the sample, such as sulfur. For buffer systems with sulfur present, selenomethionine substitution is suggested, where the selenium emission lines could be used both as an indication of a hit and as an aid in phasing and structural reconstruction of the protein.

Keywords
hit detection, plasma emission spectra, serial femtosecond crystallography, protein structure
National Category
Biophysics
Research subject
Physics with specialization in Biophysics
Identifiers
urn:nbn:se:uu:diva-331934 (URN)10.1107/S2052252517014154 (DOI)000414266200011 ()29123680 (PubMedID)
Funder
Swedish Research CouncilSwedish National Infrastructure for Computing (SNIC), 2016-7-61Swedish Foundation for Strategic Research The Swedish Foundation for International Cooperation in Research and Higher Education (STINT)ÅForsk (Ångpanneföreningen's Foundation for Research and Development)
Available from: 2017-10-25 Created: 2017-10-25 Last updated: 2018-02-05Bibliographically approved
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