Selective Binding of Cyclodextrins with Leflunomide and Its Pharmacologically Active Metabolite Teriflunomide

The selectivity of encapsulation of leflunomide and teriflunomide by native α-, β- and γ-cyclodextrins was investigated through ¹H NMR and molecular modeling. Thermodynamic analysis revealed the main driving forces involved in the binding. For α-cyclodextrin, the partial encapsulation was obtained while deep penetration was characterized for the other two cyclodextrins, where the remaining polar fragment of the molecule is located outside the macrocyclic cavity. The interactions via hydrogen bonding are responsible for high negative enthalpy and entropy changes accompanying the complexation of cyclodextrins with teriflunomide. These results were in agreement with the molecular modeling calculations, which provide a clearer picture of the involved interactions at the atomic level.     

Poly(3-hydroxybutyrate)-based hybrid materials with photocatalytic and magnetic properties prepared by electrospinning and electrospraying

Several types of nanostructured hybrid fibrous materials containing poly(3-hydroxybutyrate), nanoparticles from iron oxide (Fe₃O₄) and titanium dioxide (TiO₂), and chitosan or chitosan oligosaccharides (COS) were prepared. The design of the surface of the materials and their magnetic properties were tailored purposefully by conjunction of electrospinning and electrospraying. The surface and bulk morphologies of the obtained nanostructured materials were examined by SEM. Further, the distribution of Fe₃O₄ and TiO₂ nanoparticles was estimated by TEM analyses, as well as their surface chemical composition was determined by XPS. It was found that the simultaneous electrospinning and electrospraying of Fe₃O₄/chitosan or TiO₂/COS dispersions resulted in uniform distribution of the nanoparticles along the length of the fibers, while electrospraying of the mixed Fe₃O₄/TiO₂/chitosan dispersion led to agglomerate formation. Furthermore, the nanostructured hybrid materials preserved the magnetic properties of Fe₃O₄ embedded therein. It was demonstrated that the hybrid materials of different designs displayed excellent photocatalytic activity under UV light irradiation against a model organic contaminant—methylene blue, even after threefold use of the materials.     

Cationic polymerization initiated by intercalation compounds of Lewis acids

The results of initial studies showing the high activity of intercalation compounds of Lewis acids (C₃₀SbCl₅, C₇₇FeCl₃, C₆₄AlBr₃) as initiators of the cationic polymerization of cyclosiloxanes are presented. The influence of some reaction conditions on the yield and the molecular mass of the polymers formed is described.     

A Novel Magnetic Hardening Mechanism for Nd-Fe-B Permanent Magnets Based on Solid-State Phase Transformation

Permanent magnets based on neodymium-iron-boron (Nd-Fe-B) alloys provide the highest performance and energy density, finding usage in many high-tech applications. Their magnetic performance relies on the intrinsic properties of the hard-magnetic Nd₂Fe₁₄B phase combined with control over the microstructure during production. In this study, a novel magnetic hardening mechanism is described in such materials based on a solid-state phase transformation. Using modified Nd-Fe-B alloys of the type Nd₁₆Fe_bal-x-y-zCo_xMo_yCu_zB₇ for the first time it is revealed how the microstructural transformation from the metastable Nd₂Fe₁₇B_x phase to the hard-magnetic Nd₂Fe₁₄B phase can be thermally controlled, leading to an astonishing increase in coercivity from ≈200 kAm⁻¹ to almost 700 kAm⁻¹. Furthermore, after thermally treating a quenched sample of Nd₁₆Fe₅₆Co₂₀Mo₂Cu₂B₇, the presence of Mo leads to the formation of fine FeMo₂B₂ precipitates, in the range from micrometers down to a few nanometers. These precipitates are responsible for the refinement of the Nd₂Fe₁₄B grains and so for the high coercivity. This mechanism can be incorporated into existing manufacturing processes and can prove to be applicable to novel fabrication routes for Nd-Fe-B magnets, such as additive manufacturing.     

Nanocrystalline Nd–Fe–B Anisotropic Magnets by Flash Spark Plasma Sintering

Flash spark plasma sintering (flash SPS) is an attractive method to obtain Nd–Fe–B magnets with anisotropic magnetic properties when starting from melt-spun powders. Compared to the benchmark processing route via hot pressing with subsequent die upsetting, flash SPS promises electroplasticity as an additional deformation mechanism and reduced tool wear, while maximizing magnetic properties by tailoring the microstructure—fully dense and high texture. A detailed parameter study is conducted to understand the influence of Flash SPS parameters on the densification and magnetic properties of commercial MQU-F powder. It is revealed that the presintering conditions and preheating temperature before applying the power pulse play a major role for tailoring grain size and texture in the case of hot deformation via Flash SPS. Detailed microstructure and magnetic domain evaluation disclose the texture enhancement with increasing flash SPS temperature at the expense of coercivity. The best compromise between remanence and coercivity (1.37 T and 1195 kA m⁻¹, respectively) is achieved through a combination of presintering at 500 °C for 120 s and preheating temperature of 600 °C, resulting in a magnet with energy product (BH)_max of 350 kJm⁻³. These findings show the potential of flash SPS to obtain fully dense anisotropic nanocrystalline magnets with high magnetic performance.     

Electrospun polylactide‐based materials for curcumin release: Photostability,antimicrobial activity,and anticoagulant effect

New microfibrous materials from polylactide and polyvinylpyrrolidone or polyethylene glycol loaded with the natural polyphenolic compound curcumin have been prepared by one‐pot electrospinning. The incorporation of curcumin in the fibers contributes to shielding curcumin from photodestruction and to enhancement of the mechanical properties of the fibers. Moreover, the formation of hydrogen bonds between curcumin and polyvinylpyrrolidone or polyethylene glycol facilitates the drug release. Curcumin release provides for the antibacterial and anticoagulant activity of the curcumin‐loaded mats and prevents adhesion and aggregation of platelets onto the surface of the mats. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016 , 133, 42940.     

Isomerization of α-Pinene Oxide Over Iron-Modified Zeolites

Fe-modified mordenite, ferrierite, Y, ZSM-5, ZSM-12 and beta zeolite catalysts were prepared by solid state ion-exchange and conventional liquid phase ion-exchange methods from aqueous solutions. Sn- modified H-beta-300 zeolite catalyst was prepared by the later method. The characterization of proton form, Fe and Sn modified zeolites was carried out using X-ray powder diffraction, scanning electron microscopy, Mössbauer spectroscopy with magnetic measurements, transmission electron microscopy, nitrogen adsorption, X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, inductively coupled plasma spectroscopy, thermo-gravimetric analysis and FTIR spectroscopy using pyridine as a probe molecule. Isomerization of α-pinene oxide over the Fe and Sn modified zeolite catalysts was carried out in the liquid phase using a batch-wise glass reactor. Formation of campholenic aldehyde and fencholenic aldehyde were observed to be influenced by the structure, acidity of zeolite and contents of Fe and Sn, reaction temperature and the catalysts pretreatment.     

Single-Velocity Model of Two-Phase Liquids for Calculating Flows According to the First Principles’ Approach

A single velocity model of one-component media for calculating two-phase flows is presented. The model is based on conservation laws with minimal additional assumptions. The model and numerical method are intended for the direct numerical simulation (DNS) of complex two-phase flows with high-performance computing systems (exascale computing). The closed set of governing equations is written for nonaveraged parameters (so-called microparameters) and for a medium with a complex equation of state. It is assumed that each point of the flow is completely characterized by a single density, single velocity, and single internal energy. The diffused interface model is used for describing an interphase boundary. A method for generating the relationship between thermodynamic functions and all possible values of density and internal energy is presented. The real functions for the pure phases are used. The hydrodynamic basis of the model consists of Navier-Stokes equations or Euler equations that take heat conductivity processes into consideration. The reliability of the model is tested on a 1D problem for real water, in particular, on the Stefan problem and on the problem on the formation and coalescence of bubbles.     

Design and Qualification of Pr–Fe–Cu–B Alloys for the Additive Manufacturing of Permanent Magnets

The direct use of an advanced binder-free additive manufacturing technique, namely laser powder bed fusion (L-PBF), does not easily allow obtaining variously shaped, fully dense Nd–Fe–B magnets with high coercivity. The process inherently leads to the re-melting of the powder and appearance/disappearance of undesired/desired microstructural features responsible for low and large coercivity. In this work, the development of a useful microstructure responsible for high coercivity in Pr₂₁Fe_73.5Cu₂B_3.5 and Nd₂₁Fe_73.5Cu₂B_3.5 alloys and a possible way to produce fully dense permanent magnets via additive manufacturing processes is demonstrated using: (i) suction casting technique, which provides a high cooling rate and thus similar microstructures as in L-PBF but requires only very small amounts of powder; (ii) conventional L-PBF processing using kg of powder, and (iii) a subsequent annealing treatment that is similar to a conventional sintering treatment. The subsequent heat treatment is necessary to develop high coercivity by forming a novel microstructure: hard magnetic (Nd,Pr)₂Fe₁₄B grains embedded in a matrix of intermetallic (Nd,Pr)₆Fe₁₃Cu phase. Furthermore, it is demonstrated that Pr₂₁Fe_73.5Cu₂B_3.5 exhibits a higher coercivity than Nd₂₁Fe_73.5Cu₂B_3.5 because of a finer and more homogeneous grain size distribution of the Pr₂Fe₁₄B phase. The final L-PBF printed Pr₂₁Fe_73.5Cu₂B_3.5 samples provide a coercivity of 0.75 T.