2017
- Alonso-Mori et al., “X-Ray Free Electron Lasers: Applications in Materials, Chemistry and Biology, Chapter 7: Damage-free Electronic and Geometric Structure Determination of Metalloproteins”. Royal Society of Chemistry 141-170 (2017)
Book chapter describing the new methods developed within the last few years at LCLS and providing an inclusive review of the experiments done on metalloproteins at XFELs up to 2017 - Fuller et al. “Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers”. Nat. Methods 14 (4), 443-449 (2017)
In this paper we present the drop-on-tape sample delivery system, a robust way of delivering controlled sample amounts on demand using acoustic droplet ejection coupled with a conveyor belt drive that is optimized for crystallography and spectroscopy measurements of photochemical and chemical reactions over a wide range of time scales. Studies with photosystem II, the phytochrome photoreceptor, and ribonucleotide reductase R2 illustrate the power and versatility of this method. - Wolf et al., Probing ultrafast ππ* / nπ* internal conversion in organic chromophores via K-edge resonant absorption, Nat. Commun. 8, 29 (2017).
This paper demonstrates time-resolved NEXAFS spectroscopy at heteroatom edges like oxygen or nitrogen to be an observable with selective sensitivity to the electronic character of the excited state.
2016
- van Driel, et al. "Atomistic characterization of the active-site solvation dynamics of a model photocatalyst". Nature communications 7, 13678 (2016)
This paper reports the investigation of the structural and solvation dynamics following excitation of a model photocatalytic molecular system [Ir2(dimen)4]2+, where dimen is para-diisocyanomenthane. It provides evidence for the coordination of the iridium atoms by the acetonitrile solvent and demonstrates the viability of using diffuse X-ray scattering at free-electron laser sources for studying the dynamics of photocatalysis. - Alonso-Mori et al. “Towards characterization of photo-excited electron transfer and catalysis in natural and artificial systems using XFELs” Faraday discussions 194, 621-638 (2016)
This paper describes the methodology we developed for simultaneously collecting X-ray diffraction data and X-ray emission spectra, using an energy dispersive spectrometer, at ambient conditions. It includes a review of the studies up to 2016 of the room temperature structure and intermediate states of the photosynthetic water oxidizing metalloprotein photosystem II.
2015
- Alonso-Mori et al., “Photon-in photon-out hard X-ray spectroscopy at the Linac Coherent Light Source”. J. Synchrotron Rad. 22 (3), 612-620 (2015)
A review paper on photon-in photon-out hard X-ray spectroscopy techniques applied to study the electronic structure of transition metal systems at XFELs. Experimental details that are different compared with synchrotron-based methods are discussed and illustrated measurements performed at the LCLS in the first 5 years of operations. - Alonso-Mori et al., “The x-ray correlation spectroscopy instrument at the Linac Coherent Light Source”. J. Synchrotron Rad. 22 (3), 508-513 (2015)
Instrument paper for XCS describing capabilities and scientific highlights up to 2015 - Chollet et al., “The X-ray pump–probe instrument at the linac coherent light source”. J. Synchrotron Rad. 22 (3), 503-507 (2015)
Instrument paper for XPP describing capabilities and scientific highlights up to 2015
Older
- Alonso-Mori et al., “Energy-dispersive X-ray emission spectroscopy using an X-ray free-electron laser in a shot-by-shot mode”. PNAS, 109, 47 (2012)
Reporting the first fs X-ray emission spectroscopy measurement LCLS using redox-active Mn complexes. The spectra were found in agreement with undamaged spectra collected at low dose using synchrotron radiation. These results demonstrate that the intact electronic structure of redox active transition metals can be measured at LCLS, addressing the question whether the “probe-before-destroy” approach, previously demonstrated for atomic structure determination, could be extended to probe the local electronic structure by X-ray spectroscopy, which occurs in faster time-scales. - Alonso-Mori et al., “A multi-crystal wavelength dispersive x-ray spectrometer”. Rev. Sci. Inst. 83 (7), 073114 (2012)
This paper describes the LCLS 16 crystal X-ray emission spectrometer based on the energy dispersive von Hamos geometry. This spectrometer and/or modifications of it are regularly used at LCLS in the liquid jet standard configuration for solution phase chemistry and in the XRD/XES biochemistry experiments.