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YAG:Ce/YAG:Cr/YAG:Pr composite phosphor ceramics with barcode structure were prepared by tape casting combined with the solid‐state reaction method. This structure provides a convenient and effective method for regulating the optical parameters such as luminous efficacy (LE), color rendering, and correlated color temperature (CCT) of white light‐emitting diodes/laser diodes (LEDs/LDs). For the sample with a thickness ratio of 6:6:6 for YAG:Ce, YAG:Cr, and YAG:Pr, the in‐line transmittance reaches 60% at 800 nm, and it shows a good optical performance with the LE of 106 lm/W, the color gamut (Rg) of 77, the color fidelity index (Rf) of 86, and the CCT of 7642 K. The electroluminescence spectra and color coordinates can be adjusted by changing the ratio of each component in the composite ceramic and the thickness of the ceramic because the tape casting method allows precise control of the thickness of each ceramic layer. The high tunability provides more freedom in the performance design of composite phosphor ceramics and makes them the most promising candidate for high brightness white LEDs/LDs. [ABSTRACT FROM AUTHOR]

In this work, a series of Al2O3–Ce:YAG phosphor powders were synthesized by regulating the excess Al3+ of (Y,Ce)3Al5O12 via coprecipitation method for the first time, where Al3+, Ce3+, and Y3+ elements were uniformly distributed. With the increase of Al3+ content, the morphology of the powders changed from wormlike shapes to flaky shapes, and Y3Al5O12 phases had a tendency to convert to YAlO3 phases. The x wt.% Al2O3–(Y0.999Ce0.001)3Al5O12 (x = 20, 30, 40, 50, 60, and 70) composite phosphor ceramics (CPCs) were obtained by vacuum sintering (1775°C × 10 h), where Al2O3 and Ce:YAG phases were also well‐distributed. When the Al2O3 content was 30–40 wt.%, the average grain size of Al2O3 was close to that of Ce:YAG. A solid‐state laser lighting device was constructed by a 450 nm laser source and CPCs in a reflection mode. By adjusting the laser power, the correlated color temperature (CCT) values of white laser diodes (LDs) were achieved close to the standard white light of 6500 K. Impressively, the white LDs equipped with the 40 wt.% Al2O3‐containing CPCs showed the optimum CCT of 6498 K (color coordinates: 0.31 and 0.38), as well as a high luminous flux of 1169 lm and efficiency of 166 lm/W at the LD power of 7.05 W. This work has provided a potential idea to optimize the composition uniformity of Al2O3–Ce:YAG CPCs as also to explore their excellent performance in the application of white laser lighting. [ABSTRACT FROM AUTHOR]

The synthesis of the title compounds was performed from (-)-cis-myrtanic and (-)-myrtenic acids. The compounds obtained were characterized using 1H- and 13C-NMR, IR, and high-resolution mass spectrometry. Despite the presence of quaternary ammonium moiety, both compounds had moderate antimicrobial activity with a MIC of 128 µg/mL on S. aureus and 512 µg/mL on E. coli. The antifungal activity was low on Candida isolates, while also comparable with conventional antimycotic (Fluconazole) on filamentous fungi. These data suggest that two bulky bicyclic terpene fragments apparently both increase lipophilicity and close the quaternary ammonium moiety located in the center of molecules and thus drastically decrease the antimicrobial potential of bipharmacophore. [ABSTRACT FROM AUTHOR]

The derivatization of graphene to engineer its band structure is a subject of significant attention nowadays, extending the frames of graphene material applications in the fields of catalysis, sensing, and energy harvesting. Yet, the accurate identification of a certain group and its effect on graphene's electronic structure is an intricate question. Herein, we propose the advanced fingerprinting of the epoxide and hydroxyl groups on the graphene layers via core-level methods and reveal the modification of their valence band (VB) upon the introduction of these oxygen functionalities. The distinctive contribution of epoxide and hydroxyl groups to the C 1s X-ray photoelectron spectra was indicated experimentally, allowing the quantitative characterization of each group, not just their sum. The appearance of a set of localized states in graphene's VB related to the molecular orbitals of the introduced functionalities was signified both experimentally and theoretically. Applying the density functional theory calculations, the impact of the localized states corresponding to the molecular orbitals of the hydroxyl and epoxide groups was decomposed. Altogether, these findings unveiled the particular contribution of the epoxide and hydroxyl groups to the core-level spectra and band structure of graphene derivatives, advancing graphene functionalization as a tool to engineer its physical properties. [ABSTRACT FROM AUTHOR]

The second part of the article deals with the issues of tracing and dating the external line of the fortifications of the city of Bolgar, which existed in pre-Mongol times. The task of this line was to defend the territory adjacent to the citadel and inhabited by craftsmen and tradesmen. Until now, it was assumed that there was only one such line. However, excavation materials indicate several lines (at least two). The problem is aggravated by very approximate dating of the ditches discovered during excavations and the absence (or extremely low degree of preservation) of embankments, which are no longer visible in the relief. Lack of reliable information about the fortification of the Bolgar at the beginning of the 13thcentury casts doubt on the catastrophic destruction of the city by the Mongols in 1236.

The article deals with the problematic issues of tracing and dating the fortifications of the city of Bolgar in pre-Mongol times (from the end of the 9th to the beginning of the 13th centuries). On the basis of topographic referencing of the excavations, in which the filled ditches were discovered, all the data available on the placement of the defense lines of the early Bolgar are systematized. There is not enough data to exactly date them, therefore, the sequence of appearance of these lines is not obvious. The ditches indicate that there were ramparts next to them, the earth of which was used for the subsequent filling of ditches. Interesting tracks, on which, immediately after filling the earlier ditch, a new one was pulled out, with an indent to the outside. The task of new studies of the early fortifications of Bolgar will be to clarify the dates of their creation and spatial distribution.

Engineering the physics and chemistry of 2D materials is a key to unlock the potential of the advanced e‐nose technologies limited by the current semiconductor technologies. Herein, the adjustment of the graphene's morphology, physics, and gas sensing properties upon its carboxylation via the developed photochemical method is demonstrated. Formation of matrices of nanoscale holes yet with the retention of the lamellar structure of the graphene layer is signified upon the introduction of up to 9.5 at% of carboxyl groups. The impact of the applied carboxylation on the conduction mechanism and electronic structure is demonstrated. The appearance of a set of the localized states in the valence band is revealed, originating from the molecular orbitals of carboxyls as is signified by the proposed approach for the identification of electronic states in graphene chemical derivatives. Given holey structure, predominance of highly affine carboxyls, and lateral inhomogeneity, the enhanced detection and discrimination of various alcohols, acetone, and ammonia vapors at room temperature is demonstrated. The opposite chemiresistive response toward ammonia in the humid air is also experimentally revealed and justified by the performed density functional theory modeling on the effect of ammonia, water, and their mix on electronic structure, and resistivity of the carboxylated graphene. [ABSTRACT FROM AUTHOR]

Textile-based flexible Lithium-Ion Batteries (LIBs) show promising mechanical flexibility that is appealing for a wide variety of wearable and flexible electronic applications. The flexibility of flexible LIBs nowadays is still limited. In addition, their power performance is too low to enable high-speed charging, due to the low conductivity of the textiles. Here, we develop highly electrically conductive metallic fabrics, which are fabricated by coating nanostructured Ni or Cu (nano-reliefs) on woven cotton fabrics, as current collectors to enable crumpled, high-power, and safe wearable LIBs. The nanostructured metal coating not only effectively increases the contact area between current collectors and active materials, but also shortens the charge carrier transport paths, so that LIBs constructed on these nanostructured metallic cotton fabrics exhibit a high power density of 439 W/L and superior electrochemical stability under various mechanical deformations including folding, twisting, squeezing, and impacting. This type of nanostructured metallic textile is highly desirable for portable and wearable electronic applications.

Based on the "effective ionic radius match effect" and the "charge balance substitution rule of ions", mixed Ba2+, Al3+, Lu3+, and Ce3+ ions can be effectively regulated to a BaAl 2 O 4 -LuAG:Ce biphasic structure. The contribution of BaAl 2 O 4 like as scattering centers can reduce overall reflection losses and enhance the light extraction efficiency of these composite phosphor ceramics (CPCs). In this work, a series of x wt.% BaAl 2 O 4 -LuAG:Ce (x = 0, 3, 5, 10, 15) CPCs were fabricated by vacuum sintering using co-precipitated composite powders. Homogenization at the atomic level of mixed Ba3+, Al3+, Lu3+, and Ce3+ ions in multiphase powders provides uniform distribution of BaAl 2 O 4 and LuAG:Ce constituent phases in composite ceramics. The introduction of BaAl 2 O 4 has an additive effect, which also consists in uniform aggregation of pores near their grains during sintering. It allows to adjust the size and amount of microstructural defects by varying the secondary phase content. Under the excitation of 10.8 W 450 nm LDs in a reflection mode, 3 wt% BaAl 2 O 4 -based CPCs show the optimum luminous flux of 2244 lm and a luminous efficiency of 208 lm·W−1. The obtained CPCs show a high application potential in solid-state laser lighting. • Mixed Ba2+, Al3+, Lu3+, and Ce3+ ions can be effectively regulated to a BaAl 2 O 4 -LuAG:Ce biphasic structure. • BaAl 2 O 4 acting as scattering centers can reduce overall reflection losses. • BaAl 2 O 4 has an additive effect to adjust the size and amount of microstructural defects. • BaAl 2 O 4 -based CPCs shows luminous flux of 2244 lm and a luminous efficiency of 208 lm·W−1. [ABSTRACT FROM AUTHOR]

Medieval bone carving workshops on the city of Bolgar were identified by archaeologists from clusters of the same type of raw waste or blanks in a particular place. The authors introduce a new “technological” criterion for fixing workshops. The raw and technological analysis of 12 collections of bone products from archaeological excavations 2011–18 in the craft and trade area of the central part of medieval Bolgar was carried out. Several items of frequently occurring products were identified that fell into the cultural layer at different stages of the product manufacturing process: blanks, unfinished products that broke during the manufacturing process, spoilage. By the concentration of such finds in the cultural layers in the studied part of the city, it was possible to establish two periods of functioning of bone-cutting workshops in the Golden Horde time. The planigraphy of finds related to bone carving in specific cultural strata of the studied area allows the authors to identify one estate of the Golden Horde period, on which not only ordinary, but also exotic raw materials were processed – walrus and elephant tusks. Also in two other estates of the late 13th – the first half of the 15th century signs of bone carving workshops were also noted.

Among the categories of products from the territory of medieval Bolgar the items made of wood are considered the most rare. It is connected, first of all, with not possibility of preservation of organic matter (including wood) in the cultural layer of Bolgar. The exception is considered for the items affected by fire. This study has been intended to fill in information about the development of the craft for the treatment of wood turning and craft production at Bulgar during the Golden Horde period. The findings made of wood derived from the territory of the trade and craft quarter and the building of urban market are examined in the paper: the case for sales of inventory, parts, moucharaby (mashrabia), double-sided ridges. All these items were found in objects and layer of fire which have been associated with the capture of the town by Bulak-Timur in 1361. The technique of selection, preservation and research of samples from charred wood are presented by the authors. Samples of parts, moucharaby and bilateral ridges allowed to determine the type of wood from which were made presented products. For this purpose, three sections in transverse, radial and tangential directions were made on each of the samples. In a number of cases scraping from samples in the specified directions was used. As a result, the authors are able to establish that the masters of wood processing used local species of deciduous trees: maple and birch as well as imported wood – boxwood.

[Display omitted] To utilize N,N -dimethylhydrazine, the corresponding +formaldehyde hydrazone was reacted with 1,1,2,2-tetra-cyanoethane or 3,3,4,4-tetracyanoalkanones. The first process yielded 5-amino-1-dimethylamino-1,2-dihydro-3 H -pyrrole-3,3,4-tricarbonitrile while the second afforded pyrrolo[3,4- c ]quinolone multifunctional derivatives. These resultant products hold promise in molecular design and pharmaceutical chemistry. [ABSTRACT FROM AUTHOR]

The long-term archaeological studies of the central part of the Golden Horde Bolgar have resulted in the discovery and study of a unique structure for Eastern Europe – the building of a town bazaar of the mid-14th century. The article considers the stages of development of the town district where the structure was erected. The study area featured the first underground iron-smelting catalan hearth studied in territory of Bolgar fortified settlement, which are similar to the “Saltovo type” of hearths in term of their design features and dated 10th century. At the end of the pre-Mongol period and during the Golden Horde period, iron production complexes were replaced with manors accommodating production facilities associated with the smelting and processing of non-ferrous metals, primarily copper. Craft industries of the region reached their highest level of development in the first half of the 14th century. This period is associated with the operation of copper-smelting, glass-working, jewellery and bone carving workshops. An iron processing district was located in the immediate vicinity of the region. Thus, the emergence of a town bazaar in the study area is in no small part related to the maximum concentration of craft industries in this area of medieval Bolgar.

Compared to phosphor and phosphor in glass, phosphor ceramics have higher thermal properties, and are less prone to thermal quenching. (Ce,Lu) 3 Al 5 O 12 (Ce:LuAG) has better thermal stability than most of the phosphors, such as (Ce,Y) 3 Al 5 O 12 (Ce:YAG). However, the high melting point of Lu 3 Al 5 O 12 (LuAG; up to 2010 °C) presents a great challenge in producing transparent ceramics (TCs), so a series of Ce:LuAG nanopowders with high sintering activity were prepared by the co-precipitation method and then used as initial materials to obtain x at.% Ce:LuAG (x = 0.05, 0.1, 0.2, 0.3, 0.35, 0.4, 0.5, 0.55, 0.6, 0.65, 0.7) TCs by vacuum sintering at 1775 °C for 10 h. Moreover, the luminous properties of typical Ce-doped LuAG phosphors were systematically investigated using excitation by light-emitting diodes or laser diodes (LEDs/LDs). The emission intensity of 0.4 at.% Ce doped sample is the highest among all TCs with Ce amount ranging from 0.05 to 0.7 at.% at room temperature. The photoluminescence intensity of 0.4 at.% Ce:LuAG only decreases by 12.5% from 25 to 225 °C. The 0.4 at.% Ce:LuAG based on 0.8 W LEDs and 1.1 W LDs has the optimum luminous flux of 71.5 and 113.7 lm and the luminous efficiency of 89.3 and 101.4 lm∙W−1, respectively. As Ce concentration increases, a decrease in the luminescence saturation threshold of TCs is observed with a blue laser power density of 2.5–36.9 W∙mm−2. A high-flux yellow-green light of 1166.9 lm is obtained from 0.1 at.% Ce:LuAG when excited with a high-power LD with an energy density of 36.9 W∙mm−2. This work explored the best Ce doping level in Ce:LuAG TCs, as well as the luminescence saturation threshold in remote laser lighting applications. • Ce:LuAG transparent ceramic phosphors were prepared by vacuum sintering from co-precipitated nanopowders. • The emission intensity of 0.4 at% Ce:LuAG ceramic phosphor is among the highest with Ce-doping from 0.05 to 0.7 at%. • The photoluminescence intensity of 0.4 at% Ce:LuAG ceramic phosphor only decreases by 12.5% from 25 to 225 °C. • A high-flux yellow-green light of 1166.9 lm was obtained from 0.1 at% Ce:LuAG when excited with a high-power LD. [ABSTRACT FROM AUTHOR]

Introducing Al 2 O 3 as a secondary phase into Ce:LuAG phosphor ceramics has been realized by solid-state reaction method, but there is much room for improvement on the ingredient uniformity and performance of Al 2 O 3 -Ce:LuAG composite phosphor ceramics (CPCs). In this work, the excess of Al3+ in (Ce,Lu) 3 Al 5 O 12 was regulated to synthesize a series of Al 2 O 3 -Ce:LuAG multiphase powders by the co-precipitation method, and homogeneous Al 2 O 3 -Ce:LuAG CPCs (the uniform volume fraction between Al 2 O 3 and Ce:LuAG phases) were obtained by vacuum sintering (1775 °C × 10 h). With an increase in the Al3+ content, the morphology of the multiphase powders changes from small irregular shapes to porous flocs and flakes interwoven, and Lu 3 Al 5 O 12 phases tend to convert to LuAlO 3 phases. When the Al 2 O 3 content is 78–89 mol% in the CPCs, the average grain sizes of Al 2 O 3 are close to those of Ce:LuAG. Among all CPCs with an Al 2 O 3 content of 68–95 mol%, the 85 mol% Al 2 O 3 -Ce:LuAG CPCs initially perform the best in terms of both excitation and emission intensity at room temperature, and their photoluminescence intensities only decrease 4.3% from 25 to 225 °C. A solid-state laser lighting device was constructed by using a 450 nm laser source and Al 2 O 3 -Ce:LuAG CPCs in a reflection mode. The CPCs with 85 mol% Al 2 O 3 content based on 0.9 W laser diodes (LDs) show the optimum luminous flux (LF) and luminous efficiency (LE) of 244 lm and 266 lm∙W−1, respectively. Additionally, the LF of all CPCs based on LDs continues to increase without showing luminescence saturation when the power density increases from 1 to 20 W mm−2. When the 85 mol% Al 2 O 3 -containing CPCs are excited by a 20 W mm−2 LD, the maximum LF reaches 3624 lm, and the LE decreases only by 12.4% (compared to the data under 1 W mm−2 excitation). Al 2 O 3 -Ce:LuAG CPCs have excellent luminescence properties and improved thermal stability, which are promising for the application in solid-state laser lighting. • Excess of Al3+ in (Ce,Lu) 3 Al 5 O 12 was regulated to synthesize multiphase powders by the co-precipitation method. • Al 2 O 3 -Ce:LuAG ceramics with homogeneous biphasic microstructures were sintered by using multiphase powders. • PL intensity of ceramics with 40 wt% Al 2 O 3 content from 25 to 225 °C only decreased by 4.3%. • Excited by the 1–20 W mm−2 LD, ceramics' maximum LF reach 3624 lm, and the LE decreased only by 12.4%. [ABSTRACT FROM AUTHOR]

The article considers the topical study issues associated with the urban planning of medieval Bolgar (9th –15th cc.) – the issues of localization and organization of the street space. The results of archaeological studies allow not only to trace the layout of individual streets, but also to determine the connection of the street structure of the Golden Horde Bolgar with the elements of urban planning dating back to the Pre-Mongol period. Proceeding from the results of many years of archaeological activities, the author classifies the medieval Bolgar streets into the following two types on the basis of their functional purpose: primary (connecting the individual areas of the town) and district streets. The author outlines the various types of street paving with wood and stone slabs (white stone or sandstone) and building materials (crushed brick and fine tuff). Most of the streets located on the periphery of the town were presumably unpaved. In any case, the availability of paving on the streets has not been archaeologically traced.

The results of the archaeological studies on a monumental building, identified in the central part of the Bolghar fortified settlement site, 150 meters southwest of the Cathedral Mosque, during the 1989-1993, 2000 and 2011-2013 works are presented. Adobe brick masonry and remains of wooden flooring have been recorded. Findings in the form of numerous a large number of commercial stock-in-trade items and coins allow interpreting this building as the city market. The authors of the excavations of the building date it back to the 50-70s of the 14th century. The structural elements of the construction and its internal layout suggest the existence of the city market at the intersection of two streets. The presence of street system in this part of the city is also indicated by the remains of two brickworks of mud bricks, which had served as a street fence (duval) and referred to layers of the 30-40s of the 14th century. In the mid-14th century, the building of the city market had been being erected in place of the street fence and the adjoining estates. Thus, the development dynamics of Bolghar urban planning in the Late Golden Horde period on the site southwest of the Cathedral Mosque could be traced.

The ruins of a large brick building were revealed on the Bolgar city site to the southwest of the Cathedral mosque. The structure was studied during the 1989-1993, 2000 and 2011 excavations. It has been found that that its outer walls were built of baked brick and the inside walls were made of mud brick. The roofing could be beamed and resting on light pole supports. The layout of the building and the finds of stock-in-trade items confirm the hypothesis that the structure could serve as the city trade yard (marketplace) or bazaar. The coins found make it possible to date the structure back to the 1340-1350s and its collapse in the fire to the 1360-1370s. The construction features of the building point to its relationship with the architectural tradition of the Lower Volga settlements, that of Iran and Central Asia.

• Novel pyridoxine-based bioisosteric analogs of estradiol are synthesized. • Several compounds possess high in vitro antitumor activity and selectivity. • The lead compound induces apoptosis in MCF-7 but not in MDA-MB-231 cells. A new efficient approach to the synthesis of 6-alkenyl substituted pyridoxine derivatives has been developed. A series of 31 novel alkenyl pyridoxine derivatives, stilbene-based bioisosteric analogs of estradiol, were synthesized. In vitro cytotoxicity of the obtained compounds against MCF-7 (ER+) breast cancer tumor cells was studied using the MTT assay. The most active compounds with IC 50, MCF-7 < 10 μM were also tested for cytotoxicity in vitro against MDA-MB-231 (ER-) breast adenocarcinoma cells and conditionally normal human skin fibroblasts (HSF). The patterns of structure-antitumor activity relationships of the obtained compounds were analyzed. The most active compounds were found to contain a six-membered ketal ring, a methyl group in position 5, a 3,4-dimethoxystyryl fragment in positions 2 or 6 of the pyridoxine ring, and a trans-configuration of the double bond. Using the most active compound 5a as a representative cytotoxic agent, we have demonstrated that it has high specificity and antiproliferative activity against MCF-7 (ER+) tumor cells (IC 50 < 5 μM), and a higher therapeutic index compared to the reference compound raloxifene (48 versus 5.8). Compound 5a decreased the mitochondrial membrane potential and increased the level of reactive oxygen species in MCF-7 cells, but not MDA-MB-231 cells. Compound 5a did not affect the distribution of cell cycle phases and induced apoptosis in MCF-7 cells, but not MDA-MB-231. Unlike compound 5a , raloxifene decreased mitochondrial potential, increased the ROS level, and induced apoptosis in both MCF-7 and MDA-MB-231 cells, which indicated a lack of selectivity for cells with estrogen receptor expression. It was also shown that compound 5a reduced the level of ERα expression in cells to a lesser extent than raloxifene and, unlike the latter, did not activate the PI3K/Akt signaling pathway. [ABSTRACT FROM AUTHOR]

Cesium salts of phosphotungstic acid Cs x H 1−x PW 12 O 40 were synthesized in the pH range of the initial solutions are from 0 to 4. It has been shown that the Keggin structure is preserved in the entire pH range without the presence of other anions. At pH = 2.0, there is a sharp change in the composition of the cationic sublattice, particle sizes, specific surface area of the obtained particles, and total pore volume. At these pH values, the size of the crystallites forming particles of the salts obtained remains almost unchanged with a change in pH. In the obtained compounds, water does not enter the salt structure and its content correlates with the pore size inside the particles. The dependences of proton conductivity, conductivity activation energy, and electrocatalytic properties of the obtained cesium salts can also be divided into two regions of pH influence with a transition of pH = 2.0. [ABSTRACT FROM AUTHOR]

Abstract: The magnetic and phonon excitation spectra in the intermediate-valence compound EuCu2Si2 have been studied by inelastic neutron scattering in a wide temperature range and under pressures up to 20kbar. [Copyright &y& Elsevier]

Introduction: The mechanisms of the SARS-CoV-2-triggered complex alterations in immune cell activation and production of cytokines in lung tissue remain poorly understood, in part because of the limited use of adequate tissue models that simulate the structure and cell composition of the lung in vivo . We developed a novel ex vivo model of SARS-CoV-2 infection of lung explants, that maintains the intact tissue composition and the viral load for up to 7-10 days. Using this model, we studied cytokine production during SARS-CoV-2 infection., Materials and Methods: Lung tissue was monitored for viability and cell composition using flow cytometry and histological analysis. SARS-CoV-2 infection was verified immunohistochemically, viral loads in tissue and culture medium were monitored by qPCR. A panel of 41 cytokines was measured in culture medium using xMAP technology., Results: The explant lung tissue was viable and maintained viral infection that influenced the cytokine production. Elevated concentrations of G-CSF, GM-CSF, GRO-a, IFN-g, IL-6, IL-8, IP-10, MCP-3, MIP-1a, PDGF-AA, and VEGF, and decreased IL-1RA concentration were observed in infected tissue compared to non-infected tissue., Discussion: Our results generally reflect the data obtained in COVID-19 patients. GRO-a, IFN-g, IL-6, IL-8, MCP-1, MCP-3, and RANTES correlated with the viral load, forming a distinct pro-inflammatory cluster. Thus, our lung ex vivo model faithfully reproduces some aspects of cytokine alterations in COVID-19 patients at an early disease stage, making the investigation of SARS-CoV-2 infection mechanisms more accessible and providing a potential platform for antiviral drug testing., Competing Interests: Authors AP and FR were employed by HyTest Ltd. The remaining authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2024 Vorobyeva, Potashnikova, Maryukhnich, Rusakovich, Tvorogova, Kalinskaya, Pinegina, Kovyrshina, Dolzhikova, Postnikov, Rozov, Sotnikova, Kanner, Logunov, Gintsburg, Vasilieva and Margolis.)

This study utilizes advanced artificial intelligence techniques to analyze the social media behavior of 1358 users on VK, the largest Russian online social networking service. The analysis comprises 753,252 posts and reposts, combined with Big Five personality traits test results, as well as assessments of verbal and fluid intelligence. The objective of this research is to understand the manifestation of psychological attributes in social media users' behavior and determine their implications on user-interaction models. We employ the integrated gradients method to identify the most influential feature groups. The partial dependence plot technique aids in understanding how these features function across varying severity degrees of the predicted trait. To evaluate feature stability within the models, we cluster calculated Shapley values. Our findings suggest that the emotional tone (joy, surprise, anger, fear) of posts significantly influences the prediction of three personality traits: Extraversion, Agreeableness, and Openness to Experience. Additionally, user social engagement metrics (such as friend count, subscribers, likes, views, and comments) correlate directly with the predicted level of Logical thinking. We also observe a trend towards provocative and socially reprehensible content among users with high Neuroticism levels. The theme of religion demonstrates a multidirectional relationship with Consciousness and Agreeableness. Further findings, including an analysis of post frequency and key text characteristics, are also discussed, contributing to our understanding of the complex interplay between social media behavior and psychological traits. The study proposes a transition from the analysis of correlations between psychological (cognitive) traits to the analysis of indicators of behavior in a social network that are significant for diagnostic models of the corresponding traits., (© 2024. The Author(s).)

The results of a X-ray photoelectron spectroscopy (XPS) and steady-state absorption spectroscopy study of the electronic structure, and cationic and excited states of a series of 1,3,5,7-tetramethyl-substituted BODIPYs (4Me,2R-BODIPYs) are presented. The experimental data were interpreted using high-level ab initio quantum chemical computations, including the algebraic diagrammatic construction method for the polarization propagator of the second order (ADC(2)), the outer-valence Green's function (OVGF) method, the density functional (DFT) approach, and the time-dependent DFT (TD-DFT) approach. Substitution effects on the XPS and absorption spectra were determined for 2,6-positions of 4Me,2R-BODIPY pyrrole nuclei (R = H, Br, Bu, benzyl). A very satisfactory performance of the DFT Koopmans theorem analogue was demonstrated with respect to the energy intervals between the electronic levels of 4Me,2R-BODIPY above 13 eV (BHHLYP functional) and the values of the HOMO-LUMO energy gap (ωB97X functional).

The derivatization of graphene to engineer its band structure is a subject of significant attention nowadays, extending the frames of graphene material applications in the fields of catalysis, sensing, and energy harvesting. Yet, the accurate identification of a certain group and its effect on graphene's electronic structure is an intricate question. Herein, we propose the advanced fingerprinting of the epoxide and hydroxyl groups on the graphene layers via core-level methods and reveal the modification of their valence band (VB) upon the introduction of these oxygen functionalities. The distinctive contribution of epoxide and hydroxyl groups to the C 1 s X-ray photoelectron spectra was indicated experimentally, allowing the quantitative characterization of each group, not just their sum. The appearance of a set of localized states in graphene's VB related to the molecular orbitals of the introduced functionalities was signified both experimentally and theoretically. Applying the density functional theory calculations, the impact of the localized states corresponding to the molecular orbitals of the hydroxyl and epoxide groups was decomposed. Altogether, these findings unveiled the particular contribution of the epoxide and hydroxyl groups to the core-level spectra and band structure of graphene derivatives, advancing graphene functionalization as a tool to engineer its physical properties.

Meromictic lakes usually harbour certain prevailing anoxygenic phototrophic bacteria in their anoxic zone, such as the purple sulfur bacterium (PSB) Thiocapsa sp. LSW (hereafter LSW) in Lake Shunet, Siberia. PSBs have been suggested to play a vital role in carbon, nitrogen and sulfur cycling at the oxic-anoxic interface of stratified lakes; however, the ecological significance of PSBs in the lake remains poorly understood. In this study, we explored the potential ecological role of LSW using a deep-sequencing analysis of single-cell genomics associated with flow cytometry. An approximately 2.7 Mb draft genome was obtained based on the co-assembly of five single-cell genomes. LSW might grow photolithoautotrophically and could play putative roles not only as a carbon fixer and diazotroph, but also as a sulfate reducer/oxidizer in the lake. This study provides insights into the potential ecological role of Thiocapsa sp. in meromictic lakes.

We previously demonstrated that gene-modified umbilical cord blood mononuclear cells overexpressing a combination of recombinant neurotrophic factors are a promising therapeutic approach for cell-mediated gene therapy for neurodegenerative diseases, neurotrauma, and stroke. In this study, using a mini pig model of spinal cord injury, we proposed for the first time the use of gene-modified leucoconcentrate prepared from peripheral blood in the plastic blood bag for personalized ex vivo gene therapy. Leucoconcentrate obtained from mini pig peripheral blood was transduced with a chimeric adenoviral vector (Ad5/35F) that carried an enhanced green fluorescent protein (EGFP) reporter gene in the plastic blood bag. The day after blood donation, the mini pigs were subjected to moderate SCI and four hours post-surgery they were intravenously autoinfused with gene-modified leucoconcentrate. A week after gene-modified leucoconcentrate therapy, fluorescent microscopy revealed EGFP-expressing leucocytes in spinal cord at the site of contusion injury. In the spleen the groups of EGFP-positive cells located in the lymphoid follicles were observed. In vitro flow cytometry and fluorescent microscopy studies of the gene-modified leucoconcentrate samples also confirmed the production of EGFP by leucocytes. Thus, the efficacy of leucocytes transduction in the plastic blood bag and their migratory potential suggest their use for temporary production of recombinant biologically active molecules to correct certain pathological conditions. This paper presents a proof-of-concept of simple, safe and effective approach for personalized ex vivo gene therapy based on gene-modified leucoconcentrate autoinfusion. The animal protocols were approved by the Kazan State Medical University Animal Care and Use Committee (approval No. 5) on May 27, 2014., Competing Interests: None

A series of 108 novel quaternary bis-ammonium pyridoxine derivatives carrying various substituents at the quaternary nitrogen's and acetal carbon was synthesized. Thirteen compounds exhibited antibacterial and antifungal activity (minimum inhibitory concentration (MIC) 0.25-16 µg/mL) comparable or superior than miramistin, benzalkonium chloride, and chlorhexidine. A strong correlation between the lipophilicity and antibacterial activity was found. The most active compounds had logP values in the range of 1-3, while compounds with logP > 6 and logP < 0 were almost inactive. All active compounds demonstrated cytotoxicity comparable with miramistin and chlorhexidine on HEK-293 cells and were three-fold less toxic when compared to benzalkonium chloride. The antibacterial activity of leading compound 5c 12 on biofilm-embedded Staphylococcus aureus , Staphylococcus epidermidis , Escherichia coli or Pseudomonas aeruginosa was comparable or even higher than that of the benzalkonium chloride. In vivo 5c 12 was considerably less toxic (LD 50 1705 mg/kg) than benzalkonium chloride, miramistine, and chlorhexidine at oral administration on CD-1 mice. An aqueous solution of 5c 12 (0.2%) was shown to be comparable to reference drugs efficiency on the rat's skin model. The molecular target of 5c 12 seems to be a cellular membrane as other quaternary ammonium salts. The obtained results make the described quaternary bis-ammonium pyridoxine derivatives promising and lead molecules in the development of the new antiseptics with a broad spectrum of antimicrobial activity.