New Publications

Influence of the Interface on Magnetic Resonance in Films in the Fe–Bi System

Patrin, G.S., Shiyan, Y.G., Yakovchuk, V.Y., Churkin, V.R.// Bulletin of the Russian Academy of Sciences Physics//

https://doi.org/10.1134/S1062873825712942

Two-layer films in the Fe–Bi system were experimentally studied, which differed in the order of deposition of the magnetic and nonmagnetic layers. Electron magnetic resonance showed that additional magnetic anisotropy of the easy-plane type arises in Fe–Bi films. The observed changes are explained by the formation of a granular iron layer with strong magnetic anisotropy at the interface with bismuth.

Synthesis, structural characterization, and conductive properties of new Tl5A0.5Hf1.5(MoO4)6 (A = Ca, Cd) molybdates

Grossman, V.G., Molokeev, M.S.// Journal of Solid State Chemistry//

https://doi.org/10.1016/j.jssc.2025.125716

Ionic conductivity of triple molybdates Tl5A0.5Hf1.5(MoO4)6 (A = Ca, Cd) is studied by the method of impedance spectroscopy in the frequency range from 1 Hz to 1 MHz and in the temperature range of 300–830 K. The molybdates Tl5A0.5Hf1.5(MoO4)6 (A = Ca, Cd) are prepared in the form of fine crystalline powder by solid state synthesis from Tl2MoO4, CaMoO4 (or CdMoO4), and Hf(MoO4)2 at 723–823 K. The conductivity of Tl5Ca0.5Hf1.5(MoO4)6 ceramic samples σ = 2.69‧10−4 S/cm (at 830 K); Tl5Cd0.5Hf1.5(MoO4)6 ‒ 8.5‧10−5 S/cm (at 830 K). The σ vs. T curve demonstrates an anomaly which corresponds to thermal effects in this temperature range. The ionic conductivity of Tl5A0.5Hf1.5(MoO4)6 (A = Ca, Cd) is due to Tl + ions localized in channels of the framework structure. The crystal structures of Tl5A0.5Hf1.5(MoO4)6 (A = Ca, Cd) are obtained by Rietveld method. The following unit cell parameters are calculated for Tl5Ca0.5Hf1.5(MoO4)6a = 10.68493(26), c = 38.3943(11) Å, V = 3796.13(22) Å3Z = 6 and for Tl5Cd0.5Hf1.5(MoO4)6a = 10.66890(17), c = 38.25443(73) Å, V = 3770.96(14) Å3Z = 6.

Silica-Iron Oxide Magnetic Composite Particles for In Vitro Cell Separation: Synthesis, Possibilities, and Effects on Cell Metabolism

Tyumentseva, A.V., Komogortsev, S.V., Yaroslavtsev, R.N., (...), Knyazev, Y.V., Stolyar, S.V.// ACS Applied Bio Materials//

https://doi.org/10.1021/acsabm.5c00587

The development of magnetic particles for cell separation is a promising and actively developing direction. An important requirement for this method of isolation is the preservation of cell viability for the possibility of further study. The aim of the work was to develop magnetic composites based on iron oxide for single-stage cell separation and to evaluate the possibilities of further study of these cells using molecular and cellular biology methods. The particles were synthesized by the precipitation method; the magnetic cores were embedded in silica using TEOS and APTES reagents. Anti-EpCAM antibodies were immobilized on the surfaces of the obtained composites. T24 cells containing this antigen on the surface of some cells were used as a model suspension. It was shown that incubation of particles with the cells led to a decrease in the proportion of EpCAM-positive cells in the suspension and their binding to the magnetic composites. During the first hour of incubation with the particles, a decrease in the proportion of living cells in the suspension and a change in the mRNA level of the BCL2 gene were noted. However, after 2 h of incubation, cell adaptation and restoration of viability were noted. The separation procedure resulted in a stable decrease in the expression of the BIRC5 gene. The cells that were immobilized were subsequently successfully cultured. Thus, the proposed particles do not have high requirements for synthesis but allow for the isolation of living cells that can be used for further studies

Specifics of ice cover measurements using global navigation satellite system reflectometry

Makarov, D.S., Reushev, M.Y., Podoprigora, V.G., Kharlamov, D.V., Krasnoschekov, K.V.// Russian Physics Journal//

https://doi.org/10.1007/s11182-025-03583-0

This work focuses on the improvement of the global navigation satellite system reflectometry (GNSS-R) methods of the underlying terrestrial surfaces. An integrated approach based on a multipath GNSS‑R is applied to determine the parameters of near-surface layered structures, including ice and snow and continuous forest covers. At the same time, experimental measurements of amplitude-time dependencies of signals from navigation satellites are processed by fast Fourier transform and then analyzed using a mathematical apparatus based on the multipath reflection model within geometric optics. In combination with the GNSS‑R technique, numerical modeling of near-surface layers, is based on local meteorological data. This allows assessing not only the current state of layered near-surface structures, but also predicting their dynamics.

INVESTIGATION OF THE CARBON STRUCTURE OF COAL THERMAL SOLVOLYSIS PRODUCTS BY RAMAN SPECTROSCOPY

A.V. Obukhova, L.I. Kuznetsova, E.S. Kamensky, V.A. Safin, S.S. Kositsyna, A.S. Krylov// Chemchemtech//

DOI: 10.6060/ivkkt.20256811.7219

This work is devoted to the study by Raman spectroscopy of the features of the structural organization of molecular fragments in products of thermal solvolysis of coal in hydrocarbon solvents. The samples were obtained by dissolving GZhR grade coal in an environment of high-boiling fractions of hydrocarbon residues from coal and oil refining at a moderate temperature of 380 °C, without the use of hydrogen and catalysts. The solvent series included coal tar of high-temperature coking of coal, anthracene fraction of coal tar, heavy gas oil of catalytic cracking of petroleum raw materials and a mixture of coal tar with heavy gas oil of catalytic cracking. Pitch sampels were obtained by vacuum distillation of distillate fractions from the products of thermal dissolution. The macromolecular carbon structure of the thermal dissolution products and pitch samples was characterized by Raman spectroscopy. The calculation and analysis of the main numerical characteristics of the structure of the obtained products are performed: the degree of graphitization, the measure of sample disorder, and the size of crystallites in the basic plane of carbon atoms. It has been established that the obtained samples represent a complex carbon matrix with graphite-like fragments included in its composition. Products obtained in a solvent environment of coal origin are characterized by an increased proportion of ordered graphite structures compared to products obtained in an petroleum solvent. For pitch products, there was an increase in the degree of graphitization compared with thermal dissolution products, while the indicator characterizing the measure of disorder decreased, which allowed us to conclude that more ordered graphite structures were formed in pitch products. A correlation has been established between the indicators of the ordering of structured carbon fragments according to Raman spectroscopy data and the characteristics of the molecular structure of products obtained by FTIR-spectroscopy. Products characterized by higher aromaticity and a lower degree of substitution of aromatic rings according to FTIR data show a higgher degree of graphitization and a lower degree of disorder according to Raman spectroscopy.

Highly Efficient Mn4+-Doped Red-Emitting Oxyfluorides with Excellent Water Resistance Toward Flexible Composite Fluorescent Optical Fiber Sensor

Liu, M., Ming, H., Pan, X., (...), Molokeev, M.S., Ye, X.// Laser and Photonics Reviews//

 https://doi.org/10.1002/lpor.202501813

Flexible thermal sensors are crucial for monitoring the important thermodynamic parameter of temperature in daily life, industrial production, and scientific research. However, significant challenges remain in simultaneously achieving reproducible, sensitive, real-time, and in situ temperature sensing capabilities. Herein, a Mn4+ mono-doped CsNaNbOF5:Mn4+ (CNNOFM) phosphor is designed and synthesized as a dual-mode optical thermometric material, showing high luminescence efficiencies and excellent temperature-dependent behaviors. Combined density functional theory calculations and experimental characterization reveal the isovalent group substitution mechanism between [MnF6]2− and [NbOF5]2− octahedrons, eliminating charge compensation defects in the CNNOFM system and thereby leading to enhanced luminescence efficiencies. Furthermore, CNNOFM exhibits remarkable water resistance, retaining 88.12% of its luminescent efficiency after 4 h of water immersion. The CNNOFM demonstrates high relative sensitivity in both fluorescence intensity ratio and lifetime modes, with Sr values of 0.37% K−1 and 5.8% K−1 at 440 K, respectively. Finally, a flexible composite fluorescent fiber temperature sensor is fabricated based on the CNNOFM phosphor to monitor the temperature of an ice-water mixture, exhibiting satisfactory performance. This work not only provides a promising thermally sensitive material for optical thermometry but also offers a new pathway for the development of flexible optical temperature sensors.

Lattice dynamics of the ferroelectric Li2Ge7O15 crystal

Krylova, S., Kitaev, Y., Roginskii, E., Vtyurin, A., Lushnikov, S.// Physical Chemistry Chemical Physics//

DOI: https://doi.org/10.1039/D5CP01311A

Li2Ge7O15 is a ferroelectric and acousto-optical crystal. The lattice dynamics of the ferroelectric and paraelectric phases of the Li2Ge7O15 crystal have been investigated using density functional theory calculations and Raman spectroscopy. The symmetry analysis of the phonon modes at the center of the Brillouin zone of both phases was performed. The phonon dispersions of both phases of the Li2Ge7O15 crystal were simulated. The unstable modes in the paraelectric phase were determined. Temperature studies of the low-frequency region of the Raman spectra were repeated using a dynamic regime. The behavioral features of the soft mode were demonstrated, clearly showing how they depend on the orientation of the sample. The experimental behavior of the low-frequency modes has been explained. The theoretical data have been analyzed in comparison with our experimental data and the data of other authors. This study significantly improved the understanding of the lattice dynamics of both phases of the Li2Ge7O15 crystal.

FEATURES OF EXCHANGE COUPLING BETWEEN PERMALLOY LAYERS WITHIN FeNi/Dy/FeNi THREE-LAYER FILMS WITHIN THE TEMPERATURE RANGE FROM 4 TO 300 K

Vazhenina, I.G., Iskhakov, R.S., Stolyar, S.V., Yakovchuk, V.Y.// Chelyabinsk Physical and Mathematical Journal//

DOI: 10.47475/2500-0101-2025-10-3-595-604

FeNi/Dy/FeNi three-layer films were studied by the ferromagnetic resonance method in the temperature range from 4 to 300 K. Acoustic and optical peaks detected in the microwave spectra indicated the presence of exchange coupling between the ferromagnetic FeNi layers in the planar structure, which allowed determining the sign and value of the interlayer exchange interaction constant J12. The temperature dependence of J12 of the three-layer film with the thickness of Dy interlayer equal to 15 nm demonstrated a number of features (a change in the sign and an extremum point of the J12(T) function), which was indicative of transformations of the Dy magnetic structure.

Hexamethylenetetramine Polyoxotungstophosphate Copper Complexes

Moroz, Y.A., Shapovalov, V.A., Lozinskii, N.S., (...), Drokina, T.V., Vorotynov, A.M.// Russian Journal of Inorganic Chemistry//

https://doi.org/10.1134/S0036023625601989

Hitherto undescribed copper(II) hexamethylenetetramine (HMTA) complexes of tungstophosphate metalates Rb5[PW11O39Cu(H2O)]‧9H2O (I), Rb5[PW11O39Cu(C6H12N4)]‧10H2O (II), Rb5[PW11O39Zn0.95Cu0.05(H2O)]‧9H2O (III), and Rb5[PW11O39Zn0.95Cu0.05(C6H12N4)]‧10H2O (IV) were prepared and characterized by IR and electronic spectroscopies, X-ray powder diffraction, and electron paramagnetic resonance (EPR). The copper-ion absorption peak in the spectrum shifts to the longer wavelengths in going from [Cu(H2O)6]2+ through [PW11O39Cu(H2O)]5– [PW11O39Zn0.95Cu0.05(H2O)]5–, and [PW11O39Cu(C6H12N4)]5–, to [PW11O39Zn0.95Cu0.05(C6H12N4)]5– because of the changing ligand-field strength in the inner sphere of the complex. Electron paramagnetic resonance showed a significant difference between the magnitudes of the ligand field around the octahedrally coordinated Cu2+ ions in complexes (III) and (IV): the height of the crystal field potential barrier at the location of the Cu2+ ion differs more than twofold due to the replacement of a water molecule by an HMTA molecule C6H12N4. The results of the studies can be helpful in the preparation and structure determination of other tungstate polyoxometalates with inner-sphere paramagnetic ions.

Investigation of thermal behavior of monoclinic ludwigite-type oxoborate Cu2FeO2(BO3) in the range 300-1273 K

Biryukov, Y.P., Bubnova, R.S., Shablinskii, A.P., (...), Krzhizhanovskaya, M.G., Vereshchagin, S.N.// Acta Crystallographica Section B Structural Science Crystal Engineering and Materials//

https://doi.org/10.1107/S2052520625007413

Cover illustration: Crystal structure of Cu2FeO2(BO3) represented in terms of cation- and oxo-centered polyhedra in comparison with figures of eigenvalues of thermal expansion tensor at 300 K (green color) and 1000 K (red color). The anisotropy of thermal expansion is explained by (i) the preferable orientation of the [BO3]3− units, (ii) the theory of shear deformations of the monoclinic ac plane and (iii) an arrangement of the oxo-centered double chains.

Magnetic Resonance Imaging Study of Freezing and Thawing Processes of Ice Composites Reinforced with Polymer Materials

Morozov, E.V., Novoskoltseva, O.A., Spiridonov, V.V., (...), Yaroslavov, A.A., Bouznik, V.M.// Russian Journal of Physical Chemistry//

https://doi.org/10.1134/S199079312570085X

The processes of water freezing and ice thawing were studied in hydrogels based on sodium polyacrylate, sodium alginate, carboxymethylcellulose of different degrees of crosslinking, and para-aramid hydrogels filled with water. Using magnetic resonance imaging (MRI) method the hydrogels swelling, water distribution within the para-aramid hydrogel, freeze/thaw front propagation and resulting changes in ice composites structure were visualized. It was observed that the presence of a polymer macromolecular network in ice composites based on cross-linked hydrogels hinders the size of ice crystallites formed during freezing, leaving the qualitative picture of the freezing processes unaffected. At the same time, the water-filled porous structure of the para-aramid hydrogels undergoes irreversible changes during the freezing process, which leads to the destruction of the ice composite. It was found out that the rate of freeze/thaw front propagation in ice composites based on cross-linked hydrogels depends on both the mass content of the polymer material and its crosslinking degree. The results obtained demonstrate the capabilities of MRI in studying the heat and mass transfer processes in ice composite materials, which have potential for practical application.

Silica-coated iron oxide nanoparticles for magnetic separation: polyol synthesis, superparamagnetic properties, and nucleic acid extraction efficiency

Yaroslavtsev, R.N., Tyumentseva, A.V., Vazhenina, I.G., (...), Vorobyev, S.A., Stolyar, S.V.// Journal of Nanoparticle Research//

https://doi.org/10.1007/s11051-025-06467-z

The possibility of using magnetite nanoparticles as a sorbent in the isolation of nucleic acids from cells was investigated in this study. Nanoparticles were synthesized by polyol method in ethylene glycol with addition of polyethylene glycol. Then, the nanoparticles were coated with silicon oxide by Stöber method. Particles characterization was performed by transmission electron microscopy, infrared spectroscopy, vibrational magnetometry, and ferromagnetic resonance. The study of the IR spectra showed the presence of bands characteristic of polyethylene glycol related to hydroxide and ether groups. The magnetization curves in the region of approaching magnetization to saturation were investigated and the saturation magnetization, magnetic anisotropy constant, and average size of nanoparticles were determined. The fitting of the temperature dependences of the linewidth and resonance field of the ferromagnetic resonance also allowed us to determine the magnetic characteristics of the nanoparticles. Three different methods used to determine the anisotropy constant (from the line width and resonance field of the ferromagnetic resonance and from the field dependence of the magnetization) showed good agreement with each other. The determined anisotropy constant was approximately 1–2·105 erg/cm3, which is close to the anisotropy constant of bulk magnetite. It is shown that 0.5 mg of the developed particles allows obtaining 2.88 (2.67–3.08) μg μg of nucleic acids. Gel electrophoresis has demonstrated a high degree of purity and integrity of the isolated molecules. The results of evaluating the expression of the ACTB and GAPDH housekeeping genes using particle-isolated RNAs were similar to those using a commercial nucleic acid isolation kit.

Substrate-induced reorientation of the effective anisotropy in cylindrical Co and segmented Co/CoW nanowires

Rakhmatullaev, T.R., Sapovskii, I.M., Ilin, N.V., (...), Komogortsev, S.V., Samardak, A.Y.// Journal of Alloys and Compounds//

https://doi.org/10.1016/j.jallcom.2025.184336

The development of a multibit three-dimensional magnetic memory utilizing segmented nanowires necessitates the establishment of sufficiently strong perpendicular magnetic anisotropy for each memory element to counteract the shape anisotropy inherent in a thin disk. Materials exhibiting significant uniaxial magnetocrystalline anisotropy are suitable for this purpose. Cobalt, characterized by a hexagonal close-packed lattice, emerges as a prime candidate due to the controllability of its magnetocrystalline anisotropy's spatial orientation through the manipulation of crystalline texture via various electrodeposition conditions. Here, we broaden the spectrum of methodologies to manipulate the direction of effective anisotropy, uncovering a robust correlation between the orientation of cobalt's effective magnetic anisotropy and the substrate materials upon which it is deposited. Our results demonstrate that alterations in the composition of the conducting layer and spacer within segmented nanowires enable the modulation of the magnetic properties of individual cobalt segments, thereby allowing for the precise customization of their magnetic characteristics. These findings expand the range of potential applications of nanowires in nanoelectronics.

Highly Efficient Mn4+-Doped Red-Emitting Oxyfluorides with Excellent Water Resistance Toward Flexible Composite Fluorescent Optical Fiber Sensor

Liu, M., Ming, H., Pan, X., (...), Molokeev, M.S., Ye, X.// Laser and Photonics Reviews//

https://doi.org/10.1002/lpor.202501813

Flexible thermal sensors are crucial for monitoring the important thermodynamic parameter of temperature in daily life, industrial production, and scientific research. However, significant challenges remain in simultaneously achieving reproducible, sensitive, real-time, and in situ temperature sensing capabilities. Herein, a Mn4+ mono-doped CsNaNbOF5:Mn4+ (CNNOFM) phosphor is designed and synthesized as a dual-mode optical thermometric material, showing high luminescence efficiencies and excellent temperature-dependent behaviors. Combined density functional theory calculations and experimental characterization reveal the isovalent group substitution mechanism between [MnF6]2− and [NbOF5]2− octahedrons, eliminating charge compensation defects in the CNNOFM system and thereby leading to enhanced luminescence efficiencies. Furthermore, CNNOFM exhibits remarkable water resistance, retaining 88.12% of its luminescent efficiency after 4 h of water immersion. The CNNOFM demonstrates high relative sensitivity in both fluorescence intensity ratio and lifetime modes, with Sr values of 0.37% K−1 and 5.8% K−1 at 440 K, respectively. Finally, a flexible composite fluorescent fiber temperature sensor is fabricated based on the CNNOFM phosphor to monitor the temperature of an ice-water mixture, exhibiting satisfactory performance. This work not only provides a promising thermally sensitive material for optical thermometry but also offers a new pathway for the development of flexible optical temperature sensors.

Behavior of Silicon Impurity During Plasma Alloying of Aluminum with Boron

Churilov, G.N., Nikolaev, N.S., Vnukova, N.G., (...), Isakova, V.G., Loktev, A.N.// Journal of Siberian Federal University Mathematics and Physics//

https://elib.sfu-kras.ru/handle/2311/156665

The paper presents the results of obtaining an Al-B alloy by treating aluminum ingots with boron in an arc discharge plasma (66 kHz). It was established that the proposed method of plasma alloying allows, on one hand, to move impurities from the inner part of the monolith to the peripheral area, and on the other hand, to uniformly introduce boron into the aluminum monolith

Evaluation of the influence of different methods of processing three types of dental implant surfaces on their morphology and elemental composition in the treatment of peri-implantitis

Sokolov, M.V., Furtsev, T.V., Shabanov, A.V.// Russian Journal of Stomatology//

https://www.researchgate.net/publication/395776605_Evaluation_of_the_influence_of_different_methods_of_processing_three_types_of_dental_implant_surfaces_on_their_morphology_and_elemental_composition_in_the_treatment_of_peri-implantitis

Objective. To investigate changes in the morphological structure and elemental composition of dental implants with three types of surface (TiO2, SLA, RBM) after treatment with various methods — Er, Cr: YSGG laser with a wavelength of 2780 nm, Air Flow with erythritol and Vector Paro ultrasound device. Material and methods. A total of 36 dental implants were included: 9 new implants (3 of each surface type) were used as the control group, and 27 implants, explanted from patients with peri-implantitis, were evenly divided into three subgroups according to the cleaning method used. Surface morphology was evaluated using scanning electron microscopy (SEM), and elemental composition was analyzed using energy-dispersive X-ray spectroscopy (EDS). Results. Laser treatment demonstrated versatility and cleaning efficiency without damaging the microrelief for all types of surfaces. The Air Flow air-abrasive method was most effective for the RBM surface, but showed residual surface contamination when treated with TiO2 and SLA. The ultrasonic method using the Vector Paro device was especially effective for the TiO2 surface, probably due to its hydrophilic properties. Conclusion. The choice of decontamination method for the treatment of peri-implantitis should take into account the surface type and characteristics of the dental implant. The Er, Cr:YSGG laser proved to be a universal and effective method, while Air Flow and Vector Paro were more efficient when used for specific surface types.

Closer-to-experiment DFT simulation of linear and nonlinear optical properties of MeB4O7 crystals (Me = Sr, Pb, Sn)

Krylova, S.N., Aleksandrovsky, A.S.// Computational Materials Science//

https://doi.org/10.1016/j.commatsci.2025.114306

The improved criterion of agreement between ab initio simulation and experiment is tested forthe case of bandgaps in strontium and lead tetraborate. Instead of extracting the bandgap from the band structure diagram, we have compared calculated transmission/absorption spectra with experimental ones, obtaining excellent agreement in case of PBO and fair agreement in case of SBO. Certain disagreement in case of SBO can be ascribed to the contribution of indirect interband transitions. More probably, this disagreement indicates the presence of impurities and stresses the necessity of further improvement of crystal growth technology. The nonlinear optical coefficients of SBO are shown to originate from boron‑oxygen network while those of PBO and and β-SnB4O7 originate from metal ions with their lone pair electrons.

Comparison of brightness temperature models for layered non-isothermal bare soils with smooth boundary

Muzalevskiy, K.V.// Sovremennye Problemy Distantsionnogo Zondirovaniya Zemli Iz Kosmosa//

DOI: 10.21046/2070-7401-2025-22-4-187-204

The article compares incoherent and coherent models of brightness temperature (BT) for layered, non-isothermal bare soils with smooth boundary. BT models include incoherent models obtained on the basis of phenomenological radiative transfer theory (with and without considering a single reflection of the wave from the lower boundary of partial layers of the layered medium), and exact coherent models: Wilheit, Njoku, Klepikov–Sharkov. As non-isothermal layered-inhomogeneous dielectric half-spaces, thawed and frozen soils are considered with modeled and synchronously measured moisture and temperature profiles in the active layer. The complex permittivity of soils is modeled using proven dielectric models. The statistical analysis is based on synchronous calculation of the BT (using all the models under consideration) at frequencies of 409 MHz and 1.4 GHz in the range of viewing angles from 0 to 60° at vertical and horizontal polarizations. As a result, it is shown that coherent BT models (Wilheit, Njoku, Klepikov–Sharkov) have the same accuracy within the limits of computation error or digitization of graphic data from third-party origins. The average absolute difference between the BT calculated by incoherent and coherent models for all considered sets of moisture and temperature profiles can reach 20 and 8 K at frequencies of 409 MHz and 1.4 GHz, respectively, if the condition of smoothness of the refractive index profile at the soil surface is not met (large scale of vertical dielectric inhomogeneities in relation to the wavelength). If this condition is met, then the error does not exceed several degrees Kelvin. It is shown that the modification of the incoherent model by introduction into the reflectivity of a coefficient of coherent reflection from the air-soil interface allows achieving accuracy close to coherent models, even for freezing soils with a sharp jump in the complex permittivity between the freezing and thawed parts of the active layer. This study corroborates the applicability of a partially coherent emission model for calculating, in a wide frequency range, the angular dependencies of BT at horizontal and vertical polarizations of bare soils with smooth boundary and virtually any moisture and temperature profiles observed in the active layer.

Determination of Spectral Characteristics and Moisture Distribution in Wheat Grains After Sorption, Thermal, and Natural Drying

Ivanenko, T.Y., Fomenko, E.V., Morozov, E.V., (...), Shestakov, N.P., Shabanov, V.F.// International Journal of Molecular Sciences//

https://doi.org/10.3390/ijms26188952

The seed drying process is one of the most important aspects of post-harvest treatment, which determines the quality of the final product, cost accounting, and storage capacity. Sorption drying is of great scientific and practical importance due to its ability to gently remove moisture, which improves seed quality and ensures energy efficiency. In this study, wheat grains with an initial moisture content of 22% were dried to a moisture content of 13% using sorption, thermal, and natural air drying. The seed germination capacity after drying was 97%, 93%, and 95%, respectively. The effect of different drying methods on the morphological characteristics, microstructure, and moisture content of wheat grains was studied using a combination of experimental techniques. ATR-MIR and MAS NMR analysis revealed the biochemical stability of sorption-dried grains and the complete preservation of characteristic protein amide bands, indicating the absence of molecular degradation. Statistically significant differences in wheat grains after thermal and sorption drying were observed in luminescence peak intensities and standard deviation of the main spectral band’s half width. The MRI method demonstrated that sorption drying preserves optimal grain tissue microstructure while maintaining proper moisture levels and distribution prior to germination, as well as supporting natural mass transfer processes and moisture distribution evolution during dehydration.

Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties

Yushina, I.D., Matveychuk, Y.V., Bogdanov, N.E., (...), Boldyreva, E.V., Bartashevich, E.V.// Crystengcomm//

DOI https://doi.org/10.1039/D5CE00638D

The response of the diiodobutenyl-bis-thioquinolinium triiodide crystal structure to hydrostatic compression from 1 atm to 4 GPa and mechanical stress was studied using experimental techniques (Raman and Brillouin spectroscopy, single-crystal X-ray diffraction) and periodic DFT modeling. A phase transformation above 2.5(1) GPa manifested itself by abrupt changes in the unit cell parameters and non-merohedral twinning. The changes in the band positions in the low-wavenumber region of Raman spectra were attributed to a change in the bridging hydrogen position in the N⋯H⋯N fragment and to the changes in the anion. The DFT modeling of the crystal structure on compression revealed the changes in the structural fragments that can explain why a high-pressure phase transition takes place.

Mössbauer Research and Magnetic Properties of Dispersed Microspheres from High-Calcium Fly Ash

Fomenko, E.V., Knyazev, Y.V., Akimochkina, G.V., (...), Bayukov, O.A., Anshits, A.G.// Magnetochemistry//

 https://doi.org/10.3390/magnetochemistry11090072

High-calcium fly ash (HCFA), produced from the lignite combustion, has emerged as a global concern due to its fine particle size and adverse environmental impacts. This study presents the characteristics of dispersed microspheres from HCFA obtained using modern techniques, such as XRD, SEM-EDS, 57Fe Mössbauer spectroscopy, DSC-TG, particle size analysis, and magnetic measurements. It is found that an increase in microsphere size is likely due to the growth of the silicate glass-like phase, while the magnetic crystalline phase content remains stable. According to the 57Fe Mössbauer spectroscopy, there are two substituted Ca-based ferrites—CaFe2O4 and Ca2Fe2O5 with a quite different magnetic behavior. Besides, the magnetic ordering temperature of the brownmillerite (Ca2Fe2O5) phase increases with the average diameter of the microspheres. FORC analysis reveals enhanced magnetic interactions as microsphere size increases, indicating an elevation in the concentration of magnetic microparticles, primarily on the microsphere surface, as supported by electron microscopy data. The discovered the magnetic crystallographic phases distribution on the microsphere’s surface claims the accessibility for further enrichment of the magnetically active particles and the possible application of fly ashes as a cheap source for magnetic materials synthesis.

Rectifying the second magnetization peaks. Comments on “Revealing the vortex phases and second magnetization peaks in SmBCO superconductors

Gokhfeld, D.M.// Journal of Applied Physics//

https://doi.org/10.1063/5.0235000

Rare earth substitution in cuprate superconductors has sparked intense interest, driving progress in both fundamental research and advanced technology. In this investigation, we focus on SmBa 2Cu 3O 7−� (SmBCO), synthesized via the top-seeded melt growth method, with an aim to understand the corresponding vortex phases. Despite the minimal impact on transition temperature (⁠ ��⁠) when yttrium in YBa 2Cu 3O 7−� is replaced by Sm, the critical current density (⁠ ��⁠) remains exceptionally high under intense magnetic fields. Introducing Sm 2Ba 1Cu 1O 5 (Sm-211) phase as point defects significantly boosts the pinning potential (⁠ �⁠) and pinning force (⁠ ��⁠) and enhances their stability against external magnetic fields. Contrary to other superconductors, the SmBCO sample displays a notable peak effect in the magnetic field-dependent ��⁠, driven by point defects introduced by the Sm-211 phase, which prompts vortex lattice softening and initiates a transition from an ordered to a disordered vortex glass phase, leading to the emergence of a second magnetization peak. Analysis suggests that the primary pinning mechanism in SmBCO involves a combination of normal point and Δ� pinning. Additionally, investigations of the vortex glass phase beneath the thermally activated flux flow regime indicate that vortices in SmBCO may freeze into a state akin to a 2D vortex glass state. This study leads to a detailed phase diagram that clarifies the evolution of vortex phases in SmBCO.

Structural Design of Cr3+-Activated Hexaaluminate Phosphors with High Quantum Efficiency and Cr3+–Cr3+Exchange Coupling Pairs

Zhu, H., Zhou, C., Li, S., (...), Zhou, Z., Xia, M.// Chemistry of Materials//

https://doi.org/10.1021/acs.chemmater.5c01429

Introducing large-radius cations usually causes structural relaxation, leading to a spectral redshift and low optical performance in Cr3+-activated phosphors. Here, MNAl10O17:Cr3+ phosphors are synthesized, and the substitution of large-radius cations induces the abnormal lattice shrinkage of the N site and atomic site splitting of the M site due to the unique hexaaluminate structure, further distinctly improving luminescent properties. To investigate the university of atomic site splitting, a series of phosphors, Na2(1–m)K2mAl10.8O17:0.2Cr3+ and Gd1–nLanMgAl10.8O19:0.2Cr3+, are synthesized, and the variation of their luminescent properties conforms to the expected rule. Finally, Ga3+ ions are introduced to improve the luminescence efficiency. Internal/external quantum efficiencies of the optimal sample are 98.1 and 65.8%, respectively. Meanwhile, an anomalous spectral blueshift indicates the existence of Cr3+–Cr3+ exchange coupling pairs, and a comparative analysis of similar cases is conducted to provide some insights into the luminescence of coupling pairs.

Constructing efficient and thermally-stable far red emitting phosphor with excellent response to phytochrome Pfr for indoor agriculture

Peng, C., Tang, B., Wei, M., (...), Zhang, H., Lei, B.// Journal of Alloys and Compounds//

https://doi.org/10.1016/j.jallcom.2025.183960

Cr3+-doped phosphors still suffer from limitations, such as low quantum efficiency, poor thermal stability, and spectral peak mismatch, restricting their application in pc-LEDs for indoor agriculture. In this study, cation Sc substitution strategy was applied in Y3Ga5O12. Given that the emission location, an efficient far-red (FR) phosphor Y3ScGa4O12:Cr3+ (YSGO:Cr3+) with high matching to phytochrome was constructed, under 442 nm excitation, realizing FR emission (728 nm) with FWHM 99 nm. The optimized phosphor demonstrates exceptionally high internal quantum efficiency of 95.4 % and excellent thermal quenching property (91.6 %@423 K). Furthermore, a fabricated phosphor-converted light-emitting diode (pc-LED), combining YSGO:0.07 Cr3+ with a 450 nm chip, delivers FR output power of 36.74 mW with a photoelectric conversion efficiency (PCE) of 12.8 % at 100 mA, demonstrating ultra-low quenching rate (<5 % intensity loss after 3 months operation). A supplemental lighting model for lettuce growth was constructed, which significantly improves in physiological parameters, confirming the great potential of this phosphor for plant lighting applications.

Strong Magnon-Phonon Coupling in the Kagome Antiferromagnets

Sukhanov, A.S., Utesov, O.I., Korshunov, A.N., (...), Felser, C., Rahn, M.C.// Physical Review Letters//

DOI: https://doi.org/10.1103/gymx-jk1g

Magnon-phonon hybridization in ordered materials is a crucial phenomenon with significant implications for spintronics, magnonics, and quantum materials research. We present direct experimental evidence and theoretical insights into magnon-phonon coupling in Mn3⁢Ge, a kagome antiferromagnet with noncollinear spin order. Using inelastic x-ray scattering and ab initio modeling, we uncover strong hybridization between planar spin fluctuations and transverse optical phonons, resulting in a large hybridization gap of  ∼2  meV. This coupling is driven by interlayer Heisenberg exchange interactions and is enhanced by the material’s symmetry and magnetic frustration. The simplicity of the Mn3⁢Ge structure enables clear identification of the hybridized modes, bridging theoretical predictions and experimental observations. Our findings establish Mn3⁢Ge as a model system for exploring magnon-phonon interactions and offer a pathway for designing materials with tunable magnetoelastic properties.

High-Performance Optically Transparent EMI Shielding Sandwich Structures Based on Irregular Aluminum Meshes: Modeling and Experiment

Voronin, A.S., Parshin, B.A., Makeev, M.O., (...), Simunin, M.M., Khartov, S.V.// Materials//

https://doi.org/10.3390/ma18174102

Highly efficient shielding materials, transparent in the visible and IR ranges are becoming important in practice. This stimulates the development of cheap methods for creating transparent conductors with low sheet resistance and high optical transparency. This work presents a complex approach based on preliminary modeling of the shielding characteristics of two-layer sandwich structures based on irregular aluminum mesh (IAM) formed by the cracked template method. Experimentally measured spectral dependences of the transmission coefficient of single-layer IAM are used as a reference point for modeling. According to the simulation results, two types of sandwich structures were designed using IAM, with varying filling factors and a fixed PMMA layer thickness of 4 mm. The experimentally measured shielding characteristics of the sandwich structures in the range of 0.01–7 GHz are in good agreement with the calculated data. The obtained structures demonstrate a shielding efficiency of 55.96 dB and 65.55 dB at a frequency of 3.5 GHz (the average range of 5G communications). At the same time, their optical transparency at a wavelength of 550 nm are 84.07% and 75.78%, respectively. Our sandwich structures show electromagnetic shielding performance and uniform diffraction pattern. It gives them an advantage over structures based on regular meshes. The obtained results highlight the prospect of the proposed comprehensive approach for obtaining highly efficient, low-cost optically transparent shielding structures. Such materials are needed for modern wireless communication systems and metrology applications.

Experimental Study on Rapeseed Drying Characteristics with Magnesium Sulfate as Solid Desiccant

Fomenko, E.V., Anshits, N.N., Akimochkina, G.V., (...), Shestakov, N.P., Shabanov, V.F.// Molecules//

https://doi.org/10.3390/molecules30173604

Rapeseed is a valuable oilseed crop, and efficient drying plays a crucial role in preserving its quality. Because of the high moisture content in rapeseed, drying using the conventional methods may cause it to overheat. The benefit of energy-efficient sorption drying is that it allows one to carefully remove moisture from seeds without using heat, thus ensuring better quality. This study focuses on the characteristics of rapeseed drying using fine crystalline magnesium sulfate MgSO4·nH2O as a desiccant. The properties of the desiccant were analyzed using the SEM–EDS, XRD, ATR–MIR, and DSC-TG techniques before and after contacting rapeseed. The findings demonstrate that the desired moisture content of 7–8% can be achieved within 60–240 min, depending on the initial moisture content of rapeseed (ranging from 12% to 16%) and the desiccant-to-rapeseed ratio (1:2, 1:4, or 1:6). An analysis of crystalline hydrates after sorption drying indicates that the desiccant can be reused without intermediate regeneration during multi-stage drying of two to three rapeseed batches. The germination capacity of the seeds after sorption drying was as high as 90%, meeting the standards for elite rapeseed categories. This research demonstrates that sorption drying using magnesium sulfate is an efficient method for reducing moisture content in oilseeds, while maintaining their quality.

Magnetic order in disordered NiCr(BO3)O

Gokhfeld, Y.S., Kazak, N.V., Tarasova, A.S., (...), Vasiliev, A.D., // Dalton Transactions//

DOI: 10.1039/d5dt01230a

A novel oxyborate, NiCr(BO3)O, is synthesized using a flux method. The material crystallizes in an orthorhombic warwickite structure, space group Pbnm(62), with lattice parameters a = 9.3438(13) Å, b = 9.0908(13) Å, and c = 3.0507(4) Å. Although Ni and Cr atoms are highly disordered over two inequivalent metal sites, the compound undergoes a magnetic phase transition at TN = 45 K, as characterized by maximum dc magnetization and ac susceptibility and a λ-peak in heat capacity. Upon further cooling, another magnetic anomaly occurs at about 10 K. At high temperatures, magnetic susceptibility follows the Curie-Weiss law, with a highly negative Weiss temperature (θ ≈ -130 K), indicating strong predominance of antiferromagnetic coupling. The effective magnetic moment (μeff) is ≈4.9μB per f.u. Field-induced spin-orientation transition is observed below TN for an external field applied perpendicular to the c-axis. Magnetic heat capacity was determined by subtracting the lattice heat capacity of the nonmagnetic analog. Debye temperature is evaluated to be 365 K. NiCr(BO3)O is the first example demonstrating magnetic ordering in the highly disordered oxyborate family.

Visible-light-active and biocompatible ScxLu1-xFeO3 (x = 0, 0.5, 1.0) photocatalysts with magnetic functionality

Tikhanova, S.M., Belskaya, N.A., Eremin, E.V., (...), Shipilovskikh, S.A., Popkov, V.I.// Chemical Engineering Journal//

https://doi.org/10.1016/j.cej.2025.168055

Development of multifunctional nanomaterials for visible-light-driven environmental remediation remains a major challenge in green chemical engineering. In this study, we report on solution combustion synthesis of biocompatible ScxLu1-xFeO3 (x = 0, 0.5, 1) nanocrystals with unique photocatalytic and magnetic properties. Structural characterization confirmed phase-pure formation of orthorhombic (o-LuFeO3), hexagonal (h-Sc0.5Lu0.5FeO3), and cubic (c-ScFeO3) perovskite-type phases with crystallite sizes of 89.3, 36.7, and 54.3 nm, respectively. Morphologically, the materials exhibited a porous foam-like architecture with BET surface areas of 10.06–14.36 m2/g and dominant mesopores (3.9–11.2 nm). Diffuse reflectance spectroscopy revealed a strong visible-light absorption and narrow band gaps ranging from 1.97 to 2.30 eV. Under visible-light irradiation (λ = 410 nm), h-Sc0.5Lu0.5FeO3 showed superior photocatalytic degradation of methylene blue, achieving 100 % removal within 30 min with a rate constant of 0.1448 min−1, outperforming both o-LuFeO₃ (45 %, 0.0206 min−1) and c-ScFeO₃ (60 %, 0.0321 min−1). Magnetic studies revealed strong coercivity in o-LuFeO3 (2.5 T), spin-glass-like features in h-Sc0.5Lu0.5FeO3 (TN = 151 K), and weak antiferromagnetism in c-ScFeO3. Biocompatibility testing using THP-1 and K562 cell lines showed more than 80 % of cell survival at concentrations up to 0.25 mg/mL, with no significant morphological damage among THP-1 and K562 cells. Owing to their combined photocatalytic efficiency, magnetic separability, and biological safety, these materials are promising for integration into hybrid wastewater treatment systems as biocompatible visible-light-responsive photocatalysts.

Synthesis, crystal and electronic structure of Y2OSe2

Bausk, A.V., Yurev, I.O., Molokeev, M.S., (...), Efremova, O.I., Andreev, O.V.// Journal of Solid State Chemistry//

https://doi.org/10.1016/j.jssc.2025.125637

Y2OSe2, a novel phosphor matrix, was first synthesized via sintering/melt crystallization of Y2Se3 and Y2O2Se precursors. Guided by LLM predictions (accurately forecasting synthesis at 800–1000 °C and incongruent melting ∼1450 °C), it crystallizes orthorhombically (Pnma, Gd2OSe2-type; a = 15.9748 (2), b = 3.89420 (5), c = 6.96804 (9) Å, V = 433.476 (10) Å3Z = 4), contrasting the LLM's initial monoclinic (P21/c) prediction. Particles are oval with layered granular morphology (microhardness 290 ± 8 HV). The phase is stable under standard conditions and melts incongruently at 1470 ± 8 °C (forming melt + Y2O2Se), validating LLM thermal forecasts. Polycrystalline Y2OSe2 coexists in equilibrium with Y2Se3 or Y2O2Se. Raman spectra analysis, combining experimental data and DFT calculations, was performed. It has been shown that in the crystal structure of Y2OSe2, ion vibrations exhibit collective behavior in the low-frequency region, while the intense peaks above 110 cm–1 are mainly due to vibrations of specific types of ions. The simulation of the band structure and of the absorption spectrum reveals the origin of the onset of fundamental absorption, namely, the onset of direct transition at 1.76 eV into highly dispersive part of conduction band that contributes to the indirect bandgap, then the onset of more pronounced absorption above 3 eV at transitions to less dispersive part of conduction band. Four of five experimentally observed bands in the absorption spectrum are present in the simulated spectrum. Observed features are common to a variety of chalcogenides that were investigated in last two years.

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