Thin Films of BaM Hexaferrite with an Inclined Orientation of the Easy Magnetization Axis: Crystal Structure and Magnetic Properties.

Thin (~50 nm thick) BaM hexaferrite (BaFeO) films were grown on (1-102) and (0001) cut α-AlO (sapphire) substrates via laser molecular beam epitaxy using a one- or two-stage growth protocol. The advantages of a two-stage protocol are shown. The surface morphology, structural and magnetic properties of films were studied using atomic force microscopy, reflected high-energy electron diffraction, three-dimensional X-ray diffraction reciprocal space mapping, powder X-ray diffraction, magneto-optical, and magnetometric methods.

Unraveling Oxygen Vacancies Effect on Chemical Composition, Electronic Structure and Optical Properties of Eu Doped SnO.

The influence of Eu doping (0.5, 1 and 2 mol.%) and annealing in an oxygen-deficient atmosphere on the structure and optical properties of SnO nanoparticles were investigated in relation to electronic structure.

"V"-Shaped Changing Electronic Performance of Iodinene-Based Nanoflakes as a Function of Width.

Special structures and prominent performance make 2D iodinene more appealing and valuable at the molecular level. Here, new-type electronic devices have been constructed with iodinene-based nanoflakes in different sizes and are theoretically studied for electronic transport properties. Our findings reveal that iodinene-based nanoflakes possess great electron transport suppression, achieving the same function as SiO on single molecule scale.

Micromechanical and Tribological Performance of Laser-Cladded Equiatomic FeNiCr Coatings Reinforced with TiC and NbC Particles.

This paper discusses a comparative micromechanical and tribological analysis of laser-cladded equiatomic FeNiCr coatings reinforced with TiC and NbC particles. Two types of coatings, FeNiCr-TiC (3 wt.% TiC) and FeNiCr-NbC (3 wt.

Photocaging of amino acids and short peptides by arylidenethiazoles: mechanism, photochemical characteristics and biological behaviour.

A series of fluorophores based on the (5-methyl-4-phenylthiazol-2-yl)-3-phenylacrylonitrile (MPTA) core were designed and synthesised for photocaging of amino acids and peptides. The photophysical characteristics of these compounds and their hybrids with biomolecules were thoroughly investigated through a joint experimental, spectral and computational approach. The photorelease ability of the obtained amino acids-MPTA and peptides-MPTA hybrids was studied under various conditions, including different UV irradiation wavelength and power, and solvents.

Electronic structure of zaykovite Rh3Se4, prediction, and analysis of physical properties of related materials: Pd3Se4, Ir3Se4, and Pt3Se4.

In this work, we explore the electronic properties and chemical bonding in the recently discovered mineral zaykovite, the first natural rhodium selenide Rh3Se4. We comprehensively studied the bulk electronic structure, hybridization of rhodium and selenium orbitals, and the influence of spin-orbit interaction on the electronic spectrum, as well as inspected its topological properties. In addition, we investigated the surface electronic structure of zaykovite and revealed the anisotropic Rashba-type spin splitting in the surface states.

The visible magneto-optical response of REAMnOmanganites: relationship with the charge component of the material.

Magnetic circular dichroism (MCD) spectroscopy for manganite films of various compositions and morphologies has been studied in the range of 1.2-3.7 eV.

Electronic correlations and intrinsic magnetism of interstitial quasi-atomic states in LiAu electride.

We investigate the electronic sub-system of a recently designed LiAu superconducting electride to reveal its many-body correlated nature and magnetic properties. Using maximally localized Wannier functions (MLWFs) to describe the interstitial anion electron (IAE) states, it was found that these states are partially occupied with a population of 1.5e and have negligible hybridization with the almost completely filled p-Au states.

Magnetogenetics as a promising tool for controlling cellular signaling pathways.

Magnetogenetics emerges as a transformative approach for modulating cellular signaling pathways through the strategic application of magnetic fields and nanoparticles. This technique leverages the unique properties of magnetic nanoparticles (MNPs) to induce mechanical or thermal stimuli within cells, facilitating the activation of mechano- and thermosensitive proteins without the need for traditional ligand-receptor interactions. Unlike traditional modalities that often require invasive interventions and lack precision in targeting specific cellular functions, magnetogenetics offers a non-invasive alternative with the capacity for deep tissue penetration and the potential for targeting a broad spectrum of cellular processes.

Effect of replacing titanium with zirconium on the solubility of lithium in the LixZryTi1-yS2 system.

Solid solutions of ZryTi1-yS2 (y = 0.1, 0.2) compositions have been synthesized.

Fine Purification Engineering Enables Efficient Perovskite QLEDs with Efficiency Exceeding 23.

Perovskite quantum dots (PeQDs) have great application prospects in fields such as displays and solar cells due to their adjustable band gap, high absorption coefficient, high carrier mobility, and solution processability. However, the ionic crystal characteristic of PeQDs and their surface ligands have led to problems such as solvent sensitivity, poor crystal stability, and difficulty in adjusting the photoelectric properties, which are challenges in high-quality PeQDs. Here, to solve the problem of fluorescence degradation caused by phase change and loss of surface ligands during the purification process of CsPbI QDs, this work develops a purification strategy that finely regulates the polarity of the purification solvent, to obtain high-purity perovskite.

First-principles definition of ionicity and covalency in molecules and solids.

The notions of ionicity and covalency of chemical bonds, effective atomic charges, and decomposition of the cohesive energy into ionic and covalent terms are fundamental yet elusive. For example, different approaches give different values of atomic charges. Pursuing the goal of formulating a universal approach based on firm physical grounds (first-principles or non-empirical), we develop a formalism based on Wannier functions with atomic orbital symmetry and capable of defining these notions and giving numerically robust results that are in excellent agreement with traditional chemical thinking.

Fucoidan coated liposomes loaded with novel antituberculosis agent: preparation, evaluation, and cytotoxicity study.

In this article, we described a novel antituberculosis imidazotetrazine derivative designed in fucoidan-coated liposomes to reduce its cytotoxicity and investigate its mucoadhesive properties. Firstly, fucoidan extracted from was used for additional stabilization of liposomal suspensions and to give it mucoadhesive properties. PEG-600 and/or Tween-80 were used to increase the shelf life of liposomal suspension.

Signatures of nearly compensated magnetism and spin glass behavior in highly frustrated β-Mn-type Mn50Fe25+xAl25-x Heusler alloys.

The present study examines the effect of Fe/Al concentration on the structural and magnetic properties of Mn-rich Mn50Fe25+xAl25-x (x = 5, 10, 15) Heusler alloys through x-ray diffraction, temperature- and field-dependent DC magnetization, thermoremanent magnetization, magnetic memory effect, AC susceptibility measurements, and DFT calculations. The samples crystallize in a cubic β-Mn structure. The trend shows a reduction in lattice parameters (unit cell volume) with the increasing Fe proportion.

Enhancing Photostability of Complex Lead Halides through Modification with Antibacterial Drug Octenidine.

The high power-conversion efficiencies of hybrid perovskite solar cells encourage many researchers. However, their limited photostability represents a serious obstacle to the commercialization of this promising technology. Herein, we present an efficient method for improving the intrinsic photostability of a series of commonly used perovskite material formulations such as MAPbI, FAPbI, CsFAPbI, and CsMAFAPbI through modification with octenidine dihydroiodide (), which is a widely used antibacterial drug with two substituted pyridyl groups and two cationic centers in its molecular framework.

Proton Irradiation on Halide Perovskites: Numerical Calculations.

The results of numerical SRIM and SCAPS calculations for the ionization, displacement and heating of hybrid perovskites under the influence of protons (E = 0.15, 3.0 and 18 MeV) are presented and show that the lowest transfer energy is demonstrated by the MAPbI, FAPbBr and FAPbI compounds, which represent the greatest potential for use as solar cells in space devices.

Optimization, characterization, and cytotoxicity studies of novel anti-tubercular agent-loaded liposomal vesicles.

The treatment of tuberculosis is still a challenging process due to the widespread of pathogen strains resistant to antibacterial drugs, as well as the undesirable effects of anti-tuberculosis therapy. Hence, the development of safe and effective new anti-antitubercular agents, in addition to suitable nanocarrier systems, has become of utmost importance and necessity. Our research aims to develop liposomal vesicles that contain newly synthesized compounds with antimycobacterial action.

Size- and Voltage-Dependent Electron Transport of CN-Rings-Based Molecular Chains.

CN-ring-based molecular chains were designed at the molecular level and theoretically demonstrated to show distinctive and valuable electron transport properties that were superior to the parent carbonaceous system and other similar nanoribbon-based molecular chains. This new -type molecular chain presented an exponential attenuation of the conductance and electron transmission with the length. Essentially, the molecular chain retained the electron-resonant tunneling within 7 nm and the dominant transport orbital was the LUMO.

Lamellar Crystal Structure and Haldane Magnetism in NH VPO OH.

A novel vanadium hydroxide-phosphate, NH VPO OH, was synthesized hydrothermally in V O -NH H PO -citric acid system at 230 °C. It was characterized by XRD, TG-DSC, SEM-EDX, FTIR and NMR spectroscopy. NH VPO OH is isostructural with NH GaPO OH and features edge-sharing chains of VO octahedra.

Optimizing the Composition of the Substrate Enhances the Performance of Peroxidase-like Nanozymes in Colorimetric Assays: A Case Study of Prussian Blue and 3,3'-Diaminobenzidine.

One of the emerging trends in modern analytical and bioanalytical chemistry involves the substitution of enzyme labels (such as horseradish peroxidase) with nanozymes (nanoparticles possessing enzyme-like catalytic activity). Since enzymes and nanozymes typically operate through different catalytic mechanisms, it is expected that optimal reaction conditions will also differ. The optimization of substrates for nanozymes usually focuses on determining the ideal pH and temperature.

NaGaPOF - a KTiOPO-structured solid sodium-ion conductor.

Advanced ionic conductors are crucial for a large variety of contemporary technologies spanning solid state ion batteries, fuel cells, gas sensors, water desalination, . In this work, we report on a new member of KTiOPO-structured materials, NaGaPOF, with sodium-ion conductivity. NaGaPOF has been obtained for the first time a facile two-step synthesis consisting of a hydrothermal preparation of an ammonia-based precursor, NHGaPOF, followed by an ion exchange reaction with NaNO.

Exploring correlation effects and volume collapse during electride dimensionality change in CaN.

We investigate the role of interstitial electronic states in the metal-to-semiconductor transition and the origin of the volume collapse in CaN during the pressure-induced phase transitions accompanied by changes of electride subspace dimensionality. Our findings highlight the importance of correlation effects in the electride subsystem as an essential component of the complex phase transformation mechanism. By employing a simplified model that incorporates the distortion of the local environment surrounding the interstitial quasi-atom (ISQ) which emerges under pressure and solving this model by Dynamical Mean Field Theory (DMFT), we successfully reproduced the evolution between the metallic and semiconducting phases and captured the remarkable volume collapse.