The potential for two-dimensional crystallography of membrane proteins at future x-ray free-electron laser sources

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Isolated attosecond pulses from an X-ray free-electron laser are in high demand for attosecond science, which enables the probing of electron dynamics by X-ray nonlinear spectroscopy and single-particle imaging. The aim of this thesis is to simulate attos ...

Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...

To characterize in detail the charge density wave (CDW) transition of 1T-VSe2, its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and ine ...

Redox reactions underlie several biogeochemical processes and are typically spatiotemporally heterogeneous in soils and sediments. However, redox heterogeneity has yet to be incorporated into mainstream conceptualizations and modeling of soil biogeochemist ...

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...

Free-electron lasers and high-harmonic-generation table-top systems are new sources of extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense, coherent and tunable. They are enabling a broad range of nonlinear optical and s ...

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

The discovery of superconductivity in doped infinite-layer nickelate thin films has brought increased attention to the behavior of the doped perovskite phase. Despite this interest, the majority of existing studies pertain to hole-doped perovskite rare-ear ...

Ultrafast optical-domain spectroscopies allow to monitor in real time the motion of nuclei in molecules. Achieving element-selectivity had to await the advent of time resolved X-ray spectroscopy, which is now commonly carried at X-ray free electron lasers. ...

Bridging the "terahertz gap" relies upon synthesizing arbitrary waveforms in the terahertz domain enabling applications that require both narrow band sources for sensing and few-cycle drives for classical and quantum objects. However, realization of custom ...

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

We demonstrate tunable dispersion compensation of femtosecond pulses at telecom wavelengths for broadband Terahertz generation in 7.5-meter fiber link using a Silicon prism pair. The prism pair enhances the amplitude of the THz E-field in InGaAs photocondu ...

Carbon K-edge resonant Auger spectra of gas-phase allene following excitation of the pre-edge 1s -> pi* transitions are presented and analysed with the support of EOM-CCSD/cc-pVTZ calculations. X-Ray absorption (XAS), X-ray photoelectron (XPS), valence ban ...

Materials properties are strictly dependent on their microstructure. The internal symmetries and the disposition of the constituting atoms of a material, which depend on its crystallographic structure, greatly affect its response to mechanical, electromagn ...

Free-space optics allows for design freedom and control, but miniaturization and manufacturability are limited. Here, we present a method for manufacturing complex miniaturized free-space optical systems that combines contactless femtosecond laser-activate ...

Understanding and actively controlling the spatiotemporal dynamics of nonequilibrium electron clouds is fundamental for the design of light and electron sources, high power electronic devices, and plasma-based applications. However, electron clouds evolve ...

Due to a significant influence of strontium (Sr) on bone regeneration, Sr substituted beta-tricalcium phosphate (Sr-TCP) cement is prepared and investigated by short- and long-term time-resolved techniques. For short-term investigations, energy-dispersive ...

The creation and maintenance of crystallographic data repositories is one of the greatest data-related achievements in chemistry. Platforms such as the Cambridge Structural Database host what is likely the most diverse collection of synthesizable molecules ...

NMR crystallography has been around for half a century, but with the advent of NMR crystal structure determination protocols in the last decade it has shown perspectives that were not seen before. Amalgamation of NMR and crystal structure determination has ...

The potential for two-dimensional crystallography of membrane proteins at future x-ray free-electron laser sources

Chattez avec Graph Search

Numerical Study of the Attosecond Free-Electron Laser Pulse Generation in the Soft X-ray Regime at the SwissFEL

Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features

Electronic structure and lattice dynamics of 1T-VSe2:Origin of the three-dimensional charge density wave

X-ray chemical imaging for assessing redox microsites within soils and sediments

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

Competition between Carrier Injection and Structural Distortions in Electron-Doped Perovskite Nickelate Thin Films

Element- and enantiomer-selective visualization of molecular motion in real-time

Terahertz waveform synthesis in integrated thin-film lithium niobate platform

Many-body screening effects in liquid water

Murunskite - a new class of functional material

Tunable pump compression and fast modulation for pulsed THz generation

Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of allene

On the interaction of femtosecond laser pulses with layered dielectric materials

All-glass miniature GHz repetition rate femtosecond laser cavity

Charge Dynamics Electron Microscopy Nanoscale Imaging of Femtosecond Plasma Dynamics

Strontium Substituted Tricalcium Phosphate Bone Cement: Short and Long-Term Time-Resolved Studies and In Vitro Properties

cell2mol: encoding chemistry to interpret crystallographic data

New methods for structure determination and speciation by NMR crystallography