Insights into NiTeO calcination synchrotron X-ray diffraction.

The versatility of metal tellurate chemistry enables the creation of unique structures with tailored properties, opening avenues for advancements in a wide range of applications. However, precise nanoengineering of NiTeO, a ceramic Ni tellurate with a broad variety of properties, like electrical, magnetic, photocatalytic and multiferroic properties, demands a deep understanding of the synthesis process, which is strongly influenced by experimental parameters. This study delves into the formation mechanism of NiTeO nanoparticles during calcination of hydrothermally produced precursors, using synchrotron X-ray diffraction, complemented by post-mortem TEM and XPS, and thermal analysis.

Soft X-ray spectromicroscopy of human fibroblasts with impaired sialin function.

Salla disease (SD) is a lysosomal storage disease where free sialic acid (SA) accumulates in lysosomes due to the impaired function of a membrane protein, sialin. Synchrotron radiation-based scanning transmission soft X-ray spectromicroscopy (STXM) was used to analyze both SD patients' fibroblasts and normal human dermal fibroblasts (NHDF) from healthy controls. Both cell lines were also cultured with -acetyl-d-mannosamine monohydrate (ManNAc) to see if it increased SA concentration in the cells.

PEPICO analysis of catalytic reactor effluents towards quantitative isomer discrimination: DME conversion over a ZSM-5 zeolite.

The methanol-to-hydrocarbons (MTH) process involves the conversion of methanol, a C1 feedstock that can be produced from green sources, into hydrocarbons using shape-selective microporous acidic catalysts - zeolite and zeotypes. This reaction yields a complex mixture of species, some of which are highly reactive and/or present in several isomeric forms, posing significant challenges for effluent analysis. Conventional gas-phase chromatography (GC) is typically employed for the analysis of reaction products in laboratory flow reactors.

Solar light driven atomic and electronic transformations in a plasmonic Ni@NiO/NiCO photocatalyst revealed by ambient pressure X-ray photoelectron spectroscopy.

This work employs ambient pressure X-ray photoelectron spectroscopy (APXPS) to delve into the atomic and electronic transformations of a core-shell Ni@NiO/NiCO photocatalyst - a model system for visible light active plasmonic photocatalysts used in water splitting for hydrogen production. This catalyst exhibits reversible structural and electronic changes in response to water vapor and solar simulator light. In this study, APXPS spectra were obtained under a 1 millibar water vapor pressure, employing a solar simulator with an AM 1.

A novel pathogenic missense variant in epilepsy of infancy with migrating focal seizures causes impaired KCC2 chloride extrusion.

The potassium-chloride co-transporter 2, KCC2, is a neuron-specific ion transporter that plays a multifunctional role in neuronal development. In mature neurons, KCC2 maintains a low enough intracellular chloride concentration essential for inhibitory neurotransmission. During recent years, pathogenic variants in the KCC2 encoding gene affecting the functionality or expression of the transporter protein have been described in several patients with epilepsy of infancy with migrating focal seizures (EIMFS), a devastating early-onset developmental and epileptic encephalopathy.

Understanding and optimizing the sensitization of anatase titanium dioxide surface with hematite clusters.

The presence of hematite (FeO) clusters at low coverage on titanium dioxide (TiO) surface has been observed to enhance photocatalytic activity, while excess loading of hematite is detrimental. We conduct a comprehensive density functional theory study of FeOclusters adsorbed on the anatase TiO(101) surface to investigate the effect of FeOon TiO. Our study shows that TiOexhibits improved photocatalytic properties with hematite clusters at low coverage, as evidenced by a systematic study conducted by increasing the number of cluster adsorbates.

Tuning the Electronic Properties of Two-Dimensional Lepidocrocite Titanium Dioxide-Based Heterojunctions.

Two-dimensional (2D) heterostructures reveal novel physicochemical phenomena at different length scales that are highly desirable for technological applications. We present a comprehensive density functional theory study of van der Waals (vdW) heterostructures constructed by stacking 2D TiO and 2D MoSSe monolayers to form the TiO-MoSSe heterojunction. The heterostructure formation is found to be exothermic, indicating stability.

A combined 3D-atomic/nanoscale comprehension and computation of iron carbide structures tailored in Q&P steels Si alloying.

The essences of the quenching and partitioning (Q&P) process are to stabilize the finely divided retained austenite (RA) carbon (C) partitioning from supersaturated martensite during partitioning. Competitive reactions, , transition carbide precipitation, C segregation, and decomposition of austenite, might take place concurrently during partitioning. In order to maintain the high volume fraction of RA, it is crucial to suppress the carbide precipitation sufficiently.

Forming Bonds While Breaking Old Ones: Isomer-Dependent Formation of HO from Aminobenzoic Acid During X-ray-Induced Fragmentation.

Intramolecular hydrogen transfer, a reaction where donor and acceptor sites of a hydrogen atom are part of the same molecule, is a ubiquitous reaction in biochemistry and organic synthesis. In this work, we report hydronium ion (HO) production from aminobenzoic acid (ABA) after core-level ionization with soft X-ray synchrotron radiation. The formation of HO during the fragmentation requires that at least two hydrogen atoms migrate to one of the oxygen atoms within the molecule.

Nickel nanoparticle-activated MoS for efficient visible light photocatalytic hydrogen evolution.

Direct sunlight-induced water splitting for photocatalytic hydrogen evolution is the dream for an ultimate clean energy source. So far, typical photocatalysts require complicated synthetic processes and barely work without additives or electrolytes. Here, we report the realization of a hydrogen evolution strategy with a novel Ni-Ag-MoS ternary nanocatalyst under visible/sun light.

Efficient neutralization of core ionized species in an aqueous environment.

Core ionization dynamics of argon-water heteroclusters Ar[HO] are investigated using a site and process selective experimental scheme combining 3 keV electron irradiation with Auger electron-ion-ion multi-coincidence detection. The formation of Ar 2p vacancies followed by non-radiative decay to intermediate one-site doubly ionized states Ar(3p)-Ar[HO] and subsequent redistribution of charge to the cluster environment are monitored. At low argon concentrations the emission of an [HO]H/[HO]H ion pair is the dominant outcome, implying on high efficiency of charge transfer to the water network.

Unveiling Non-isothermal Crystallization of CaO-AlO-BO-NaO-LiO-SiO Glass via X-ray Scattering and Raman Spectroscopy.

The crystallization in glasses is a paradoxical phenomenon and scarcely investigated. This work explores the non-isothermal crystallization of a multicomponent alumino-borosilicate glass via high-energy synchrotron X-ray diffraction, atomic pair distribution function, and Raman spectroscopy. Results depict the crystallization sequence as CaAlO and CaSiO followed by LiAlO with the final compound formation of CaBO.

Binocular mirror-symmetric microsaccadic sampling enables hyperacute 3D vision.

SignificanceTo move efficiently, animals must continuously work out their x,y,z positions with respect to real-world objects, and many animals have a pair of eyes to achieve this. How photoreceptors actively sample the eyes' optical image disparity is not understood because this fundamental information-limiting step has not been investigated in vivo over the eyes' whole sampling matrix. This integrative multiscale study will advance our current understanding of stereopsis from static image disparity comparison to a morphodynamic active sampling theory.

Solvent and cosolute dependence of Mg surface enrichment in submicron aerosol particles.

The formation of multicomponent aerosol particles from precursor solution droplets often involves segregation and surface enrichment of the different solutes, resulting in non-homogeneous particle structures and diverse morphologies. In particular, these effects can have a significant influence on the chemical composition of the particle-vapor interface. In this work, we investigate the bulk/surface partitioning of inorganic ions, Na, Mg, Ca, Cl and Br, in atomiser-generated submicron aerosols using synchrotron radiation based X-ray photoelectron spectroscopy (XPS).

Discerning phase-matrices for individual nitride inclusions within ultra-high-strength steel: experiment driven DFT investigation.

Non-metallic inclusions play a decisive role in the steel's performance. Therefore, their determination and control over their formation are crucial to engineer ultra-high-strength steel. Currently, bare experimental approaches are limited in the identification of non-metallic inclusions within microstructural phases of complex steel matrices.

Performance and characterization of the FinEstBeAMS beamline at the MAX IV Laboratory.

FinEstBeAMS (Finnish-Estonian Beamline for Atmospheric and Materials Sciences) is a multidisciplinary beamline constructed at the 1.5 GeV storage ring of the MAX IV synchrotron facility in Lund, Sweden. The beamline covers an extremely wide photon energy range, 4.

Free silver nanoparticles doped by potassium: Work-function change in experiment and theory.

The composition-dependent change in the work-function (WF) of binary silver-potassium nanoparticles has been studied experimentally by synchrotron-based x-ray photoelectron spectroscopy (PES) and theoretically using a microscopic jellium model of metals. The Ag-K particles with different K fractions were produced by letting a beam of preformed Ag particles pass through a volume with K vapor. The PES on a beam of individual non-supported Ag-K nanoparticles created in this way allowed a direct absolute measurement of their WF, avoiding several usual shortcomings of the method.

Core and Valence Level Photoelectron Spectroscopy of Nanosolvated KCl.

The solvation of alkali and halide ions in the aqueous environment has been a subject of intense experimental and theoretical research with multidisciplinary interests; yet, a comprehensive molecular-level understanding has still not been obtained. In recent years, electron spectroscopy has been increasingly applied to study the electronic and structural properties of aqueous ions with implications, especially in atmospheric chemistry. In this work, we report core and valence level (Cl 2p, Cl 3p, and K 3p) photoelectron spectra of the common alkali halide, KCl, doped in gas-phase water clusters in the size range of a few hundred water molecules.

First-Principles Prediction of Two-Dimensional BCP and BCP: Structural Stability, Fundamental Properties, and Renewable Energy Applications.

The existence of two novel hybrid two-dimensional (2D) monolayers, 2D BCP and 2D BCP, has been predicted based on the density functional theory calculations. It has been shown that these materials possess structural and thermodynamic stability. 2D BCP is a moderate band gap semiconductor, while 2D BCP is a zero band gap semiconductor.

Gas-phase endstation of electron, ion and coincidence spectroscopies for diluted samples at the FinEstBeAMS beamline of the MAX IV 1.5 GeV storage ring.

Since spring 2019 an experimental setup consisting of an electron spectrometer and an ion time-of-flight mass spectrometer for diluted samples has been available for users at the FinEstBeAMS beamline of the MAX IV Laboratory in Lund, Sweden. The setup enables users to study the interaction of atoms, molecules, (molecular) microclusters and nanoparticles with short-wavelength (vacuum ultraviolet and X-ray) synchrotron radiation and to follow the electron and nuclear dynamics induced by this interaction. Test measurements of N and thiophene (CHS) molecules have demonstrated that the setup can be used for many-particle coincidence spectroscopy.

Adsorption of CO on the ω-Fe (0001) surface: insights from density functional theory.

The stabilization of a hexagonal phase known as the ω-phase in steel has recently been identified. The presence of C in steel samples is found to be helping the formation of this otherwise meta stable phase. This indicates that the probability of degradation of the surface is high in steel samples containing the ω-phase, through surface adsorption.

Surface plasmon-driven photocatalytic activity of Ni@NiO/NiCO core-shell nanostructures.

Ni@NiO/NiCO core-shell nanostructures have been investigated for surface plasmon driven photocatalytic solar H generation without any co-catalyst. Huge variation in the photocatalytic activity has been observed in the pristine post-vacuum annealed samples with the maximum H yield (∼110 μmol g h) for the vacuum annealed sample (N70-100/2 h) compared to ∼92 μmol g h for the pristine (N70) photocatalyst. Thorough structural (X-ray diffraction) and spectroscopic (X-ray photoelectron spectroscopy and transmission electron microscopy coupled electron energy loss spectroscopy) investigations reveal the core Ni nanoparticle decorated with the shell, a composite of crystalline NiO and amorphous NiCO.

Incorporation of Si atoms into CrCoNiFe high-entropy alloy: a DFT study.

Density functional theory based computational study has been conducted in order to investigate the effect of substitution of Cr and Co components by Si on the structure, mechanical, electronic, and magnetic properties of the high entropy alloy CrCoNiFe. It is found that the presence of a moderate concentration of Si substitutes (up to 12.5%) does not significantly reduce the structural and mechanical stability of CrCoNiFe while it may modify its electronic and magnetic properties.

The effect of relative humidity on CaCl nanoparticles studied by soft X-ray absorption spectroscopy.

Ca- and Cl-containing nanoparticles are common in atmosphere, originating for example from desert dust and sea water. The properties and effects on atmospheric processes of these aerosol particles depend on the relative humidity (RH) as they are often both hygroscopic and deliquescent. We present here a study of surface structure of free-flying CaCl nanoparticles (CaCl-NPs) in the 100 nm size regime prepared at different humidity levels (RH: 11-85%).

Towards designing reactive glasses for alkali activation: Understanding the origins of alkaline reactivity of Na-Mg aluminosilicate glasses.

Alkali-activated materials (AAMs), sometimes called geopolymers, are eco-friendly cementitious materials with reduced carbon emissions when compared to ordinary Portland cement. However, the availability of most precursors used for AAM production may decline in the future because of changes in industrial sectors. Thus, new precursors must be developed.