Structure and Magnetic Properties of Mechanosynthesized Nanocrystalline Fe2CrSi Heusler Alloy.

Heusler alloys constitute an interesting group of materials with wide applications. The purpose of the present study was to use the mechanical alloying method to synthesize Fe2CrSi Heusler alloy and learn about its structure and magnetic properties. Pure metal elements were ground for various periods of time in a planetary ball mill, and the process of alloy formation was monitored using X-ray diffraction and Mössbauer spectroscopy. It was found that after 20 h of milling, the disordered BCC solid solution was formed, with an average crystallite size ~11 nm. After thermal treatment, the desired Fe2CrSi Heusler alloy was obtained, with a small amount of secondary phases. Detailed XRD analysis showed the coexistence of two varieties of Heusler phase, namely Fm-3m and Pm-3n. The main result of this work is the detection of the hyperfine magnetic field distribution using Mössbauer spectroscopy. The occurrence of this distribution proves atomic disorder in the crystalline structure of the obtained Heusler alloy. Macroscopic magnetic measurements revealed soft magnetic properties of the alloy, with a magnetic moment of ~2.3 µB/f.u., only slightly larger than the theoretically predicted value.

Lanthanide-Doped SPIONs Bioconjugation with Trastuzumab for Potential Multimodal Anticancer Activity and Magnetic Hyperthermia.

Iron oxide-based nanoparticles have been modified in their core with holmium(III) in an amount affecting only slightly their magnetic properties. Nanoparticles were conjugated covalently with biomolecule of trastuzumab (Herceptin®), the monoclonal antibody that recognizes cancer cells overexpressing HER2 receptors targeting such nanoparticles to the specified tumor tissues. Systematic studies of Ho3+-doped bioconjugates were carried out as a preliminary step for future replacement of 'cold' Ho with 166Ho radionuclide, emitting 'soft' beta(-) radiation for possible targeted radionuclide therapy. Physicochemical properties of the obtained bioconjugates were subsequently tested for use in magnetic hyperthermia, considered as an effective, low-invasiveness anticancer therapy. With such a system we expect to achieve both: active targeting and multimodal action by simultaneous internal and localized irradiation and magnetic hyperthermia of specific cancers.

Comparison of models to evaluate microbial sulphide generation and transport in the near field of a SF/HLW repository in Opalinus Clay.

In a deep geological repository for radioactive waste in the Opalinus Clay, disposal canisters may be corroded due to sulphide produced by sulphate reducing bacteria (SRB). This paper presents two computational models, a reactive transport model (RTM) and a simplified semi-analytical model (SM), to evaluate the potential of SRB to generate elevated sulphide concentrations, to assess sulphide fluxes to the canister and, in a simplified manner, the resulting canister corrosion. Calculations performed in the context of the repository's safety assessment based on a shared conceptual model reveal that the two computational models are complementary. The reactive transport model incorporates state-of-the-art understanding of the system's geochemistry, but is currently too computationally demanding to be applied in probabilistic safety assessment sensitivity analyses. The simplified model is fast and efficient, but some of its assumptions need to be verified, and some parameter values need to be calibrated using the more complete reactive transport model. Nonetheless, given the same set of assumptions, the two models predict comparable magnitudes of sulphide fluxes to the canister and comparable canister corrosion depths.

Easy Synthesis and Characterization of Holmium-Doped SPIONs.

The exceptional magnetic properties of superparamagnetic iron oxide nanoparticles (SPIONs) make them promising materials for biomedical applications like hyperthermia, drug targeting and imaging. Easy preparation of SPIONs with the controllable, well-defined properties is a key factor of their practical application. In this work, we report a simple synthesis of Ho-doped SPIONs by the co-precipitation route, with controlled size, shape and magnetic properties. To investigate the influence of the ions ratio on the nanoparticles’ properties, multiple techniques were used. Powder X-ray diffraction (PXRD) confirmed the crystallographic structure, indicating formation of an Fe3O4 core doped with holmium. In addition, transmission electron microscopy (TEM) confirmed the correlation of the crystallites’ shape and size with the experimental conditions, pointing to critical holmium content around 5% for the preparation of uniformly shaped grains, while larger holmium content leads to uniaxial growth with a prism shape. Studies of the magnetic behaviour of nanoparticles show that magnetization varies with changes in the initial Ho3+ ions percentage during precipitation, while below 5% of Ho in doped Fe3O4 is relatively stable and sufficient for biomedicine applications. The characterization of prepared nanoparticles suggests that co-precipitation is a simple and efficient technique for the synthesis of superparamagnetic, Ho-doped SPIONs for hyperthermia application.

Monoolein Cubic Phase Gels and Cubosomes Doped with Magnetic Nanoparticles-Hybrid Materials for Controlled Drug Release.

Hybrid materials consisting of a monoolein lipidic cubic phase (LCP) incorporating two types of magnetic nanoparticles (NP) were designed as addressable drug delivery systems. The materials, prepared in the form of a gel, were subsequently used as a macroscopic layer modifying an electrode and, after dispersion to nanoscale, as magnetocubosomes. These two LCPs were characterized by small-angle X-ray scattering (SAXS), cross-polarized microscopy, magnetic measurements, and phase diagrams. The magnetic dopants were hydrophobic NPoleic and hydrophilic NPcitric, characterized by dynamic light scattering (DLS) and transmission electron microscopy (TEM), and their influence on the properties of the cubic phases was investigated. The removal of the anticancer drug, Doxorubicin (Dox) from the hybrid cubic phase gels was studied by electrochemical methods. The advantages of incorporating magnetic nanoparticles into the self-assembled lipid liquid crystalline phases include the ability to address the cubic phase nanoparticle containing large amounts of drug and to control the kinetics of the drug release.

Decreasing Kd uncertainties through the application of thermodynamic sorption models.

Radionuclide retardation processes during transport are expected to play an important role in the safety assessment of subsurface disposal facilities for radioactive waste. The linear distribution coefficient (Kd) is often used to represent radionuclide retention, because analytical solutions to the classic advection-diffusion-retardation equation under simple boundary conditions are readily obtainable, and because numerical implementation of this approach is relatively straightforward. For these reasons, the Kd approach lends itself to probabilistic calculations required by Performance Assessment (PA) calculations. However, it is widely recognised that Kd values derived from laboratory experiments generally have a narrow field of validity, and that the uncertainty of the Kd outside this field increases significantly. Mechanistic multicomponent geochemical simulators can be used to calculate Kd values under a wide range of conditions. This approach is powerful and flexible, but requires expert knowledge on the part of the user. The work presented in this paper aims to develop a simplified approach of estimating Kd values whose level of accuracy would be comparable with those obtained by fully-fledged geochemical simulators. The proposed approach consists of deriving simplified algebraic expressions by combining relevant mass action equations. This approach was applied to three distinct geochemical systems involving surface complexation and ion-exchange processes. Within bounds imposed by model simplifications, the presented approach allows radionuclide Kd values to be estimated as a function of key system-controlling parameters, such as the pH and mineralogy. This approach could be used by PA professionals to assess the impact of key geochemical parameters on the variability of radionuclide Kd values. Moreover, the presented approach could be relatively easily implemented in existing codes to represent the influence of temporal and spatial changes in geochemistry on Kd values.

The phase diagram for coexisting d-wave superconductivity and charge-density waves: cuprates and beyond.

Phase diagrams of d-wave superconductivity characterized by an order parameter Δ coexisting with charge-density waves (CDWs) characterized by an order parameter Σ were constructed for the two-dimensional Fermi surface (FS) appropriate to, e.g., cuprates. CDWs were considered as an origin of the pseudogap appearing at antinodal FS sections of the d(x2-y2) superconductor. Two types of the Σ-reentrance were found: with the temperature, T, and with the opening of the CDW sector, 2α. The angular plots in the momentum space for the resulting gap profile over the FS ('gap roses') were obtained. The gap patterns are rather involved, giving insight into the difficulties of the interpretation of photoemission spectra. It was shown that the Σ-Δ coexistence region exists even for the complete dielectric gapping due to the distinction between the superconducting and CDW order parameter symmetries. The checkerboard and unidirectional CDW configurations were examined, and both the phase diagrams and the behavior with T and α of the order parameters were found to differ. A more general case with a non-zero mismatch angle ß between the superconducting lobes and the CDW sectors was analyzed, the case ß = π/4 corresponding to the d(xy) symmetry of the superconducting order parameter. The phase diagrams were found to be sensitive to ß-variations, showing that internal strains and external pressure can drastically affect the behavior of Σ(T) and Δ(T).