Probing the Electronic Structure of the Hemoglobin Active Center in Physiological Solutions

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Signal amplification by reversible exchange (SABRE) uses metal-mediated reversible binding of parahydrogen to transfer polarization via spin-spin couplings in transient complexes, particularly iridium complexes with N-heterocyclic carbenes (NHC). The magne ...

Spontaneous Raman microscopy is well-known for its remarkable chemical contrast yet suffers from slow acquisition speeds. Recently, the compressive Raman microspectroscopy framework has shown that a significant speed advantage is brought by leveraging shot ...

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 ...

Microcomputed tomography (mu CT) is a nondestructive X-ray imaging method used in plant physiology to visualize in situ plant tissues that enables assessments of embolized xylem vessels. Whereas evidence for X-ray-induced cellular damage has been reported, ...

The detection of inelastically scattered soft x-rays with high energy resolution usually requires large grating spectrometers. Recently, photoelectron spectrometry for analysis of x-rays (PAX) has been rediscovered for modern spectroscopy experiments at sy ...

In this study, MS2 bacteriophage was inactivated by homogeneous and heterogeneous photo-Fenton processes in an alkaline matrix (pH 8) using low concentrations of H2O2 and iron forms (1 mg/L), including Fe(II), Fe(III), and Fe (hydr)oxides. As a reference, ...

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 ...

This thesis investigates the magnetic properties of single atoms and molecules adsorbed on thin magnesium oxide decoupling layers, grown on a silver single crystal. To address these systems experimentally, we use a low temperature scanning tunneling micros ...

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 - ...

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 ...

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 ...

The high zinc and iron contents of electric arc furnace (EAF) dust in the forms of zinc ferrite (ZnFe2O4) and magnetite (Fe3O4) make it a valuable secondary source of these metals. ZnFe2O4 and Fe3O4 are known to form a solid solution at all compositions, a ...

The design of metal-organic frameworks (MOFs) having large pore sizes and volumes often requires the use of complex organic ligands, currently synthesized using costly and time-consuming palladium-catalyzed coupling chemistry. Thus, in the present work, a ...

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. ...

This thesis is dedicated to developing innovative methodologies that improve elemental quantification in scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDXS). The primary motivation stems from a geochemistry pr ...

Recent neutron-diffraction experiments in honeycomb CrI3 quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence of this gap has been attributed to strong in-plane Dzyaloshinskii-Moriya or Kita ...

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 ...

The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is followed by the transpo ...

Lanthanide atoms on surfaces are an exceptional platform for atomic-scale magnetic information storage. However, their potential as qubits remains unexplored due to the limited number of experimental setups that can coherently drive the spins of single ada ...

The spin waves in single crystals of the layered van der Waals antiferromagnet CoPS3 have been measured using inelastic neutron scattering. The data show four distinct spin wave branches with large (>14 meV) energy gaps at the Brillouin zone center indicat ...

Probing the Electronic Structure of the Hemoglobin Active Center in Physiological Solutions

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Predicting the Nmr Chemical Shifts of Hydrides in Sabre-active Ir Complexes by Relativistic Dft

Toward video-rate compressive spontaneous Raman imaging via single-photon avalanche diode arrays

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

In vivo X-ray microtomography locally affects stem radial growth with no immediate physiological impact

A compact approach to higher-resolution resonant inelastic x-ray scattering detection using photoelectrons

Photo-Fenton inactivation of MS2 bacteriophage at alkaline pH by Fe salts or nm to μm-sized oxides, and the Janus-faced effects of natural organic matter in surface waters

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

Magnetism of Single Surface Adsorbed Atoms Studied with Radio-Frequency STM

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

Enhanced Leaching of Zinc Ferrite by the Formation of a Solid Solution With Magnetite in Hydrochloric Acid Solution

A Simple, Transition Metal Catalyst-Free Method for the Design of Complex Organic Building Blocks Used to Construct Porous Metal-Organic Frameworks

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

New tools for phase segmentation and denoising of analytical STEM data for enhanced chemical sensitivity, applied to Earth mantle research

Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

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

Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP

Erbium and thulium on MgO(100)/Ag(100) as candidates for single atom qubits

Spin wave spectra of single crystal CoPS3