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Irina Terekhova Iliya Kritskiy Mikhail Agafonov Roman Kumeev Carlos Martínez-Corts Horacio Prez-Snchez 《International journal of molecular sciences》2020,21(23)
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. 相似文献
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Dr. Ivan A. Yaremenko Dr. Paolo Coghi Parichat Prommana Congling Qiu Peter S. Radulov Yuanqing Qu Yulia Yu. Belyakova Dr. Enrico Zanforlin Dr. Vladimir A. Kokorekin Yuki Yu Jun Wu Prof. Fabrice Fleury Dr. Chairat Uthaipibull Dr. Vincent Kam Wai Wong Prof. Alexander O. Terent'ev 《ChemMedChem》2020,15(13):1118-1127
This article discloses a new horizon for the application of peroxides in medical chemistry. Stable cyclic peroxides are demonstrated to have cytotoxic activity against cancer cells; in addition a mechanism of cytotoxic action is proposed. Synthetic bridged 1,2,4,5-tetraoxanes and ozonides were effective against HepG2 cancer cells and some ozonides selectively targeted liver cancer cells (the selectivity indexes for compounds 11 b and 12 a are 8 and 5, respectively). In some cases, tetraoxanes and ozonides were more selective than paclitaxel, artemisinin, and artesunic acid. Annexin V flow-cytometry analysis revealed that the active ozonides 22 a and 23 a induced cell death of HepG2 by apoptosis. Further study showed that compounds 22 a and 23 a exhibited a strong inhibitory effect on P-glycoprotein (P-gp/ABCB5)-overexpressing HepG2 cancer cells. ABCB5 is a key player in the multidrug-resistant phenotype of liver cancer. Peroxides failed to demonstrate a direct correlation between oxidative potential and their biological activity. To our knowledge this is the first time that peroxide diastereoisomers have been found to show stereospecific antimalarial action against the chloroquine-sensitive 3D7 strain of Plasmodium falciparum. Stereoisomeric ozonide 12 b is 11 times more active than stereoisomeric ozonide 12 a (IC50=5.81 vs 65.18 μm ). Current findings mean that ozonides merit further investigation as potential therapeutic agents for drug-resistant hepatocellular carcinoma. 相似文献
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Lukas Schäfer Konstantin Skokov Fernando Maccari Iliya Radulov David Koch Andrey Mazilkin Esmaeil Adabifiroozjaei Leopoldo Molina-Luna Oliver Gutfleisch 《Advanced functional materials》2023,33(4):2208821
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 Nd16Febal-x-y-zCoxMoyCuzB7 for the first time it is revealed how the microstructural transformation from the metastable Nd2Fe17Bx 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. 相似文献
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Elena Korina Olya Stoilova Nevena Manolova Iliya Rashkov 《Journal of Materials Science》2014,49(5):2144-2153
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. 相似文献
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Alexander Beletskiy Ekaterina Positselskaya Aliya Kh. Vinarskaya Yulia S. Spivak Yulia V. Dobryakova Iliya Tyulenev Vladimir A. Markevich Alexey P. Bolshakov 《International journal of molecular sciences》2022,23(17)
We performed RNA sequencing of the dorsal and ventral parts of the hippocampus and compared it with previously published data to determine the differences in the dorsoventral gradients of gene expression that may result from biological or technical variability. Our data suggest that the dorsal and ventral parts of the hippocampus differ in the expression of genes related to signaling pathways mediated by classical neurotransmitters (glutamate, GABA, monoamines, etc.) as well as peptide and Wnt ligands. These hippocampal parts also diverge in the expression of axon-guiding molecules (both receptors and ligands) and splice isoforms of genes associated with intercellular signaling and cell adhesion. Furthermore, analysis of differential expressions of genes specific for astrocytes, microglia, oligodendrocytes, and vascular cells suggests that non-neuronal cells may also differ in the characteristics between hippocampal parts. Analysis of expression of transposable elements showed that depletion of ribosomal RNA strongly increased the representation of transposable elements in the RNA libraries and helped to detect a weak predominance of expression of these elements in the ventral hippocampus. Our data revealed new molecular dimensions of functional differences between the dorsal and ventral hippocampus and points to possible cascades that may be involved in the longitudinal organization of the hippocampus. 相似文献
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Fernando Maccari Tarini Prasad Mishra Monica Keszler Tobias Braun Esmaeil Adabifiroozjaei Iliya Radulov Tianshu Jiang Enrico Bruder Olivier Guillon Leopoldo Molina-Luna Martin Bram Oliver Gutfleisch 《Advanced Engineering Materials》2023,25(18):2300252
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. 相似文献
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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. 相似文献
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Suming Li Henri Garreau Michel Vert Tsvetanka Petrova Nevena Manolova Iliya Rashkov 《应用聚合物科学杂志》1998,68(6):989-998
The degradation of poly(oxyethylene)–poly(ε-caprolactone) (POE–PCL) multiblock copolymers was investigated at 37°C in a 0.13M, pH 7.4 phosphate buffer selected to mimic in vivo conditions. The copolymers were obtained by coupling polycaprolactone diols and poly(ethylene glycol) diacids using dicyclohexylcarbodiimide as coupling agent. Various techniques, such as weighing, size exclusion chromatography, infrared, 1H nuclear magnetic resonance, differential scanning calorimetry, and X-ray diffractometry, were used to monitor changes in total mass, water absorption, molar mass, thermal properties, degree of crystallinity, and composition. The results showed that introduction of POE sequences considerably increased the hydrophilicity of the copolymers as compared with PCL homopolymers. Nevertheless, the degradability of PCL sequences was not enhanced due to the phase separation between the two components. Significant morphological changes were also observed during the degradation. © 1998 John Wiley & Sons, Inc. J Appl Polym Sci 68: 989–998, 1998 相似文献
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